A0A087XMQ3_POEFO Loading...

Regulator of G-protein signaling 1

AlphaFold DB , UniProt , Accession A0A087XMQ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 162 aa.

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(Predicted Aligned Error values between residue pairs)

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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	H	35.9	Very low	35.8	Very low	250 Å²	250	154.3 Å²	154.3	100%	1.157	86%	0.858	S	S	*	*				0	96.4	0	-80.1	-94	0	0	0	108.6
2	I	38.1	Very low	36.3	Very low	174 Å²	174	152 Å²	152	89%	0.892	86%	0.858	S	S	*	*			trans	-110.7	120	172.6	-65	-174.3	0	0	0	106.4
3	S	32.9	Very low	36.1	Very low	116 Å²	116	145.7 Å²	145.7	81%	0.811	85%	0.847	S	S	*	*			trans	-70.9	131.8	-176	-164	0	0	0	0	110.5
4	A	38	Very low	36.4	Very low	86 Å²	86	149.4 Å²	149.4	71%	0.711	85%	0.848	S	S	*	*			trans	-71.7	124.6	172.7	0	0	0	0	0	109.9	N6	A4-N6 PolarHBondContact O-N 2.7Å
5	G	35.6	Very low	36.4	Very low	70 Å²	70	151.6 Å²	151.6	72%	0.722	85%	0.848	S	S	*	*			trans	-70.9	113.6	170.7	0	0	0	0	0	110.4	F7	G5-F7 PolarHBondContact O-N 3.17Å
6	N	33.4	Very low	36.6	Very low	157 Å²	157	154.1 Å²	154.1	84%	0.84	85%	0.851	S	S	*	*			trans	-67.6	107.6	168.6	-84.4	-15.4	0	0	0	109.5	A4 T8	A4-N6 PolarHBondContact O-N 2.7Å; N6-T8 PolarHBondContact O-N 2.62Å
7	F	35.9	Very low	36.5	Very low	207 Å²	207	148.5 Å²	148.5	91%	0.908	84%	0.836	S	S	*	*			trans	-76.3	109.4	161.5	-96.7	-92.5	0	0	0	108.7	G5 Q9	G5-F7 PolarHBondContact O-N 3.17Å; F7-Q9 PolarHBondContact O-N 3.28Å
8	T	35.5	Very low	37	Very low	133 Å²	133	146.7 Å²	146.7	82%	0.816	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-62.3	118.6	172.6	27.8	0	0	0	0	110.3	N6 Q10	N6-T8 PolarHBondContact O-N 2.62Å; T8-Q10 PolarHBondContact O-N 2.71Å
9	Q	37.2	Very low	37.5	Very low	195 Å²	195	141.7 Å²	141.7	91%	0.911	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67.1	119.5	164.6	-69.9	175.9	20	0	0	108.6	F7	F7-Q9 PolarHBondContact O-N 3.28Å
10	Q	34.9	Very low	37.7	Very low	187 Å²	187	141.5 Å²	141.5	87%	0.874	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-84.6	131.3	170	-125.9	169.7	2.2	0	0	108.9	T8	T8-Q10 PolarHBondContact O-N 2.71Å
11	P	36.3	Very low	38	Very low	122 Å²	122	139.4 Å²	139.4	79%	0.792	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-77.6	126.5	178.6	29.9	-29.9	0	0	0	110	G13	P11-G13 PolarHBondContact O-N 2.99Å
12	C	41.3	Very low	38.6	Very low	127 Å²	127	129.3 Å²	129.3	86%	0.858	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-74.1	119.6	177.1	-150.7	0	0	0	0	109.7
13	G	34.6	Very low	39.3	Very low	70 Å²	70	125.6 Å²	125.6	72%	0.722	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-65.4	145.5	-176.9	0	0	0	0	0	113.4	P11 H15	P11-G13 PolarHBondContact O-N 2.99Å; G13-H15 PolarHBondContact O-N 2.99Å
14	K	40.7	Very low	39.8	Very low	197 Å²	197	124.3 Å²	124.3	86%	0.857	71%	0.706	S	S	*	*			trans	-71.3	112.8	172.3	-62.7	-178.2	178.5	-177.7	0	109.5
15	H	35.6	Very low	39.7	Very low	183 Å²	183	125.4 Å²	125.4	85%	0.847	71%	0.707	S	S	*	*			trans	-152.9	150.4	154.4	-94	101.6	0	0	0	110.1	G13	G13-H15 PolarHBondContact O-N 2.99Å
16	Q	39.7	Very low	40.1	Very low	192 Å²	192	130.2 Å²	130.2	90%	0.897	71%	0.709	S	S	*	*	S	Bend	trans	-59.8	149.2	-159.4	-67.1	145.4	-33.3	0	0	115.9
17	G	35.8	Very low	40.8	Very low	58 Å²	58	124.8 Å²	124.8	60%	0.598	68%	0.682	S	S	*	*			trans	125.5	88.6	163	0	0	0	0	0	113.3	F19	G17-F19 VanDerWaalsContact C-N 3.27Å; G17-F19 PolarHBondContact O-N 3Å
18	V	43.9	Very low	41.3	Very low	117 Å²	117	125 Å²	125	71%	0.709	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	85.8	174.2	-171.5	0	0	0	0	108.9
19	F	46.8	Very low	42.2	Very low	51 Å²	51	122.7 Å²	122.7	22%	0.224	67%	0.665	C	S	.	*	T	Hydrogen-bonded Turn	trans	-137.3	-7.3	152.3	-103.5	-38.3	0	0	0	112	G17 S21 L22 F23 A72 R91	G17-F19 VanDerWaalsContact C-N 3.27Å; G17-F19 PolarHBondContact O-N 3Å; F19-S21 VanDerWaalsContact C-N 3.3Å; F19-S21 PolarHBondContact O-N 3Å; F19-L22 PolarHBondContact O-N 3.22Å; F19-F23 VanDerWaalsContact O-CD2 3.28Å; F19-F23 WeakPolarHBondContact O-CD2 3.09Å; F19-A72 HydrophobicContact CZ-CB 4.24Å; F19-R91 HydrophobicContact CE2-CG 4.36Å
20	H	42.2	Very low	43.1	Very low	138 Å²	138	116.9 Å²	116.9	64%	0.639	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-73.7	-19.3	-174.4	-152.6	-155.4	0	0	0	113.8	L22 F23	H20-L22 PolarHBondContact O-N 3.21Å; H20-F23 PolarHBondContact O-N 3.38Å
21	S	44.5	Very low	44.5	Very low	98 Å²	98	109.3 Å²	109.3	69%	0.685	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-72.4	-10.5	178.4	46.3	0	0	0	0	114.2	F19	F19-S21 VanDerWaalsContact C-N 3.3Å; F19-S21 PolarHBondContact O-N 3Å
22	L	47.8	Very low	45.9	Very low	38 Å²	38	108.9 Å²	108.9	20%	0.199	60%	0.601	C	S	.	*	G	3₁₀ helix	trans	-86.3	-14.1	175.1	-145.4	79.1	0	0	0	112.9	F19 H20 K48 L71	F19-L22 PolarHBondContact O-N 3.22Å; H20-L22 PolarHBondContact O-N 3.21Å; L22-K48 PolarHBondContact O-NZ 3.3Å; L22-L71 HydrophobicContact CD2-CD1 4.03Å
23	F	53.1	Low	47.6	Very low	95 Å²	95	107.6 Å²	107.6	42%	0.417	59%	0.586	S	S	.	*	S	Bend	trans	-117.7	-4.7	-155.3	-79.5	-93.3	0	0	0	117.2	F19 H20 R55 L68	F19-F23 VanDerWaalsContact O-CD2 3.28Å; F19-F23 WeakPolarHBondContact O-CD2 3.09Å; H20-F23 PolarHBondContact O-N 3.38Å; F23-R55 VanDerWaalsContact CE1-NH2 3.27Å; F23-L68 HydrophobicContact CZ-CD2 4.21Å
24	C	42.7	Very low	50.1	Low	89 Å²	89	104.3 Å²	104.3	60%	0.601	55%	0.551	S	S	*	*	S	Bend	trans	-139.5	134	176.3	-69.7	0	0	0	0	110.6
25	C	37	Very low	52.4	Low	109 Å²	109	100.5 Å²	100.5	74%	0.736	54%	0.537	S	S	*	.			trans	98	105.6	-175.9	-56.9	0	0	0	0	112.6	P27	C25-P27 WeakPolarHBondContact O-CD 3.32Å; C25-P27 VanDerWaalsContact O-N 3.11Å
26	F	43.2	Very low	55	Low	171 Å²	171	93.5 Å²	93.5	75%	0.75	51%	0.507	S	S	*	.			trans	-55.1	110.4	147.2	-80	-89.4	0	0	0	105.6	K28 I52	F26-K28 PolarHBondContact O-N 2.77Å; F26-I52 HydrophobicContact CD1-CG2 4.17Å; F26-I52 HydrophobicContact CE1-CG2 3.78Å; F26-I52 HydrophobicContact CZ-CG2 4.39Å
27	P	47.6	Very low	57.6	Low	44 Å²	44	84.6 Å²	84.6	29%	0.286	47%	0.465	S	S	.	.			trans	-58.7	132.8	167.8	-11.4	26.7	0	0	0	105.5	C25 D29 K48 I52	C25-P27 WeakPolarHBondContact O-CD 3.32Å; C25-P27 VanDerWaalsContact O-N 3.11Å; P27-D29 HydrophobicContact CB-CB 4.15Å; P27-D29 WeakPolarHBondContact CB-OD2 3.38Å; P27-D29 PolarHBondContact O-N 3.23Å; P27-K48 HydrophobicContact CG-CB 4.12Å; P27-K48 HydrophobicContact CG-CG 3.52Å; P27-I52 HydrophobicContact CG-CD1 4.23Å
28	K	47.6	Very low	60.4	Low	210 Å²	210	85 Å²	85	91%	0.913	46%	0.459	S	S	*	.			trans	-69.6	36	161.6	-64.6	180	179.6	172.8	0	109.8	F26 P30	F26-K28 PolarHBondContact O-N 2.77Å; K28-P30 WeakPolarHBondContact O-CD 3.18Å
29	D	54.2	Low	62.8	Low	86 Å²	86	85.3 Å²	85.3	46%	0.46	45%	0.453	S	S	.	.			trans	-60.2	126.2	171.1	-80.6	-26.3	0	0	0	105.4	P27 L31	P27-D29 HydrophobicContact CB-CB 4.15Å; P27-D29 WeakPolarHBondContact CB-OD2 3.38Å; P27-D29 PolarHBondContact O-N 3.23Å; D29-L31 PolarHBondContact O-N 3.22Å
30	P	55.3	Low	65.1	Low	73 Å²	73	84.6 Å²	84.6	47%	0.474	45%	0.454	S	S	.	.			trans	-52.2	134.1	176.2	-23.1	32.7	0	0	0	107.9	K28 N32	K28-P30 WeakPolarHBondContact O-CD 3.18Å; P30-N32 HydrophobicContact CB-CB 4.07Å; P30-N32 WeakPolarHBondContact CB-ND2 3.42Å; P30-N32 WeakPolarHBondContact CB-OD1 3.25Å; P30-N32 PolarHBondContact O-N 3.2Å
31	L	65.5	Low	67.6	Low	28 Å²	28	78.3 Å²	78.3	15%	0.147	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-62.7	22.1	170.3	-64.2	175.7	0	0	0	112.4	D29 D33 V34 L155 K158 A159	D29-L31 PolarHBondContact O-N 3.22Å; L31-D33 PolarHBondContact O-N 3.07Å; L31-D33 VanDerWaalsContact O-N 3.14Å; L31-V34 HydrophobicContact CB-CG2 3.65Å; L31-V34 HydrophobicContact CD2-CG2 3.72Å; L31-V34 HydrophobicContact CG-CG2 4.23Å; L31-V34 VanDerWaalsContact O-CG2 3.31Å; L31-V34 WeakPolarHBondContact O-CG2 3.48Å; L31-V34 PolarHBondContact O-N 3.15Å; L31-L155 HydrophobicContact CD1-CD2 4.18Å; L31-L155 HydrophobicContact CD2-CD2 3.96Å; L31-K158 HydrophobicContact CD1-CB 4.19Å; L31-A159 HydrophobicContact CB-CB 4.41Å
32	N	64.1	Low	70.1	Confident	113 Å²	113	77.7 Å²	77.7	60%	0.604	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-61.4	-26	-170.8	-71.9	4.4	0	0	0	112.1	P30	P30-N32 HydrophobicContact CB-CB 4.07Å; P30-N32 WeakPolarHBondContact CB-ND2 3.42Å; P30-N32 WeakPolarHBondContact CB-OD1 3.25Å; P30-N32 PolarHBondContact O-N 3.2Å
33	D	77.4	Confident	72.3	Confident	100 Å²	100	80.1 Å²	80.1	54%	0.535	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-109.9	11	-175.2	-56.6	-17.6	0	0	0	112.8	L31 E35 T36 W37	L31-D33 PolarHBondContact O-N 3.07Å; L31-D33 VanDerWaalsContact O-N 3.14Å; D33-E35 PolarHBondContact O-N 3.08Å; D33-T36 HydrophobicContact CB-CG2 4.43Å; D33-T36 WeakPolarHBondContact O-CB 3.38Å; D33-T36 PolarHBondContact O-N 3.29Å; D33-T36 PolarHBondContact O-OG1 3.03Å; D33-W37 PolarHBondContact O-NE1 3.07Å
34	V	87.9	Confident	74.3	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-35.8	-178	174.8	0	0	0	0	111.3	L31 T36 W37 Y152 L155 L156	L31-V34 HydrophobicContact CB-CG2 3.65Å; L31-V34 HydrophobicContact CD2-CG2 3.72Å; L31-V34 HydrophobicContact CG-CG2 4.23Å; L31-V34 VanDerWaalsContact O-CG2 3.31Å; L31-V34 WeakPolarHBondContact O-CG2 3.48Å; L31-V34 PolarHBondContact O-N 3.15Å; V34-T36 VanDerWaalsContact C-N 3.29Å; V34-T36 PolarHBondContact O-N 3.22Å; V34-W37 HydrophobicContact CG1-CE3 4.3Å; V34-W37 HydrophobicContact CG1-CZ3 4.48Å; V34-W37 HydrophobicContact CG2-CH2 4Å; V34-W37 HydrophobicContact CG2-CZ2 3.95Å; V34-W37 HydrophobicContact CG2-CZ3 4.35Å; V34-W37 VanDerWaalsContact O-CB 3.24Å; V34-W37 WeakPolarHBondContact O-CB 3.45Å; V34-W37 PolarHBondContact O-N 2.85Å; V34-W37 VanDerWaalsContact O-N 3.17Å; V34-Y152 HydrophobicContact CG1-CD2 4.22Å; V34-Y152 HydrophobicContact CG1-CE2 3.68Å; V34-Y152 WeakPolarHBondContact O-CE2 3.45Å; V34-Y152 PolarHBondContact O-OH 3.05Å; V34-L155 HydrophobicContact CG1-CB 4Å; V34-L156 HydrophobicContact CG1-CD2 3.77Å; V34-L156 HydrophobicContact CG1-CG 4.05Å
35	E	87.9	Confident	76.8	Confident	117 Å²	117	71.5 Å²	71.5	55%	0.547	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-59.9	-39.7	176.5	-64.2	176.8	-166.3	0	0	112.3	D33 W37 S38 L156	D33-E35 PolarHBondContact O-N 3.08Å; E35-W37 PolarHBondContact O-N 3.12Å; E35-S38 PolarHBondContact O-N 3.47Å; E35-S38 PolarHBondContact O-OG 3.25Å; E35-L156 HydrophobicContact CG-CD2 4.09Å
36	T	91.6	Very high	79.4	Confident	37 Å²	37	69.6 Å²	69.6	23%	0.227	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-68	-17.7	-179	75.7	0	0	0	0	112.5	D33 V34 S38 E39 K43	D33-T36 HydrophobicContact CB-CG2 4.43Å; D33-T36 WeakPolarHBondContact O-CB 3.38Å; D33-T36 PolarHBondContact O-N 3.29Å; D33-T36 PolarHBondContact O-OG1 3.03Å; V34-T36 VanDerWaalsContact C-N 3.29Å; V34-T36 PolarHBondContact O-N 3.22Å; T36-S38 PolarHBondContact O-N 2.85Å; T36-E39 VanDerWaalsContact O-CB 3.29Å; T36-E39 WeakPolarHBondContact O-CB 3.43Å; T36-E39 WeakPolarHBondContact O-CG 3.27Å; T36-E39 PolarHBondContact O-N 2.64Å; T36-K43 WeakPolarHBondContact O-CB 3.27Å; T36-K43 WeakPolarHBondContact O-CG 3.4Å
37	W	94.1	Very high	81.6	Confident	5 Å²	5	63.1 Å²	63.1	2%	0.019	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-64.7	-20.8	178.5	-65	5.5	0	0	0	112.5	D33 V34 E35 E39 V44 C47 A49 G50 A53 Y143 F146 Y152 L155	D33-W37 PolarHBondContact O-NE1 3.07Å; V34-W37 HydrophobicContact CG1-CE3 4.3Å; V34-W37 HydrophobicContact CG1-CZ3 4.48Å; V34-W37 HydrophobicContact CG2-CH2 4Å; V34-W37 HydrophobicContact CG2-CZ2 3.95Å; V34-W37 HydrophobicContact CG2-CZ3 4.35Å; V34-W37 VanDerWaalsContact O-CB 3.24Å; V34-W37 WeakPolarHBondContact O-CB 3.45Å; V34-W37 PolarHBondContact O-N 2.85Å; V34-W37 VanDerWaalsContact O-N 3.17Å; E35-W37 PolarHBondContact O-N 3.12Å; W37-E39 VanDerWaalsContact C-N 3.3Å; W37-V44 HydrophobicContact CB-CG2 3.73Å; W37-V44 HydrophobicContact CG-CG2 4.1Å; W37-C47 PolarHBondContact NE1-SG 3.25Å; W37-A49 VanDerWaalsContact CH2-C 3.46Å; W37-A49 HydrophobicContact CH2-CB 4.03Å; W37-A49 HydrophobicContact CZ2-CB 3.79Å; W37-G50 VanDerWaalsContact CH2-CA 3.44Å; W37-G50 VanDerWaalsContact CZ2-CA 3.44Å; W37-A53 HydrophobicContact CH2-CB 4.13Å; W37-A53 HydrophobicContact CZ3-CB 3.7Å; W37-Y143 WeakPolarHBondContact O-CE2 3.33Å; W37-Y143 PolarHBondContact O-OH 2.87Å; W37-F146 HydrophobicContact CE3-CE1 4.26Å; W37-F146 HydrophobicContact CE3-CZ 4.07Å; W37-F146 HydrophobicContact CZ3-CZ 4.26Å; W37-Y152 HydrophobicContact CB-CE2 3.84Å; W37-Y152 HydrophobicContact CD2-CE2 4.4Å; W37-Y152 AromaticContact CE3-CD2 3.89Å; W37-Y152 HydrophobicContact CE3-CD2 3.89Å; W37-Y152 AromaticContact CE3-CE2 3.83Å; W37-Y152 HydrophobicContact CE3-CE2 3.83Å; W37-Y152 HydrophobicContact CG-CE2 4.48Å; W37-Y152 HydrophobicContact CZ3-CD2 4.48Å; W37-L155 HydrophobicContact CH2-CD1 4.25Å; W37-L155 HydrophobicContact CZ3-CD1 3.82Å
38	S	94.4	Very high	83.6	Confident	67 Å²	67	63.8 Å²	63.8	47%	0.469	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-76.4	-12.7	174	65.9	0	0	0	0	114.2	E35 T36 Y143	E35-S38 PolarHBondContact O-N 3.47Å; E35-S38 PolarHBondContact O-OG 3.25Å; T36-S38 PolarHBondContact O-N 2.85Å; S38-Y143 WeakPolarHBondContact CA-OH 3.22Å; S38-Y143 PolarHBondContact O-OH 3.09Å
39	E	93.9	Very high	85.7	Confident	123 Å²	123	54.7 Å²	54.7	58%	0.575	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-41.5	-179.7	-61.9	171.5	-171.8	0	0	112	T36 W37 K43	T36-E39 VanDerWaalsContact O-CB 3.29Å; T36-E39 WeakPolarHBondContact O-CB 3.43Å; T36-E39 WeakPolarHBondContact O-CG 3.27Å; T36-E39 PolarHBondContact O-N 2.64Å; W37-E39 VanDerWaalsContact C-N 3.3Å; E39-K43 HydrophobicContact CB-CG 4.32Å; E39-K43 WeakPolarHBondContact OE2-CE 3.22Å; E39-K43 IonicContact OE2-NZ 3.81Å; E39-K43 PolarHBondContact OE2-NZ 3.33Å
40	S	95.3	Very high	87.6	Confident	35 Å²	35	50.6 Å²	50.6	25%	0.245	29%	0.29	C	S	.	.			trans	-162.7	160.1	175.7	75.4	0	0	0	0	112.9	D42 K43 Y143	S40-D42 PolarHBondContact O-N 2.89Å; S40-D42 WeakPolarHBondContact OG-CB 3.4Å; S40-D42 PolarHBondContact OG-N 3.33Å; S40-K43 WeakPolarHBondContact O-CB 3.3Å; S40-K43 PolarHBondContact O-N 3.12Å; S40-K43 VanDerWaalsContact O-N 3.15Å; S40-K43 PolarHBondContact OG-N 3.29Å; S40-Y143 VanDerWaalsContact C-CZ 3.45Å; S40-Y143 WeakPolarHBondContact CA-OH 3.48Å; S40-Y143 PolarHBondContact N-OH 2.77Å; S40-Y143 PolarHBondContact O-OH 2.77Å
41	V	95.4	Very high	89.5	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-26.8	170.7	71.5	0	0	0	0	111.7	K43 V44 L45 F54 Y135 A139 Y143	V41-K43 VanDerWaalsContact C-N 3.29Å; V41-K43 PolarHBondContact O-N 2.65Å; V41-V44 WeakPolarHBondContact O-CB 3.38Å; V41-V44 PolarHBondContact O-N 3.23Å; V41-L45 HydrophobicContact CG2-CD1 3.98Å; V41-L45 HydrophobicContact CG2-CG 4.14Å; V41-L45 WeakPolarHBondContact O-CB 3.34Å; V41-L45 WeakPolarHBondContact O-CG 3.49Å; V41-L45 PolarHBondContact O-N 2.84Å; V41-F54 HydrophobicContact CG2-CE1 4.49Å; V41-Y135 HydrophobicContact CG1-CE1 4.26Å; V41-Y135 HydrophobicContact CG1-CE2 3.6Å; V41-Y135 VanDerWaalsContact CG1-CZ 3.44Å; V41-Y135 VanDerWaalsContact CG1-OH 3.25Å; V41-Y135 WeakPolarHBondContact CG1-OH 3.32Å; V41-A139 HydrophobicContact CG1-CB 3.91Å; V41-Y143 HydrophobicContact CB-CD1 4.19Å; V41-Y143 HydrophobicContact CB-CD2 4.02Å; V41-Y143 HydrophobicContact CB-CE2 4.37Å; V41-Y143 HydrophobicContact CB-CG 3.92Å; V41-Y143 HydrophobicContact CG2-CD2 4.1Å; V41-Y143 HydrophobicContact CG2-CG 4.12Å
42	D	95.5	Very high	90.9	Very high	86 Å²	86	48.8 Å²	48.8	46%	0.46	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-33	176.7	-54.7	-53.3	0	0	0	112.1	S40 V44 L45 G46 Y135	S40-D42 PolarHBondContact O-N 2.89Å; S40-D42 WeakPolarHBondContact OG-CB 3.4Å; S40-D42 PolarHBondContact OG-N 3.33Å; D42-V44 VanDerWaalsContact C-N 3.33Å; D42-L45 PolarHBondContact O-N 2.98Å; D42-G46 WeakPolarHBondContact O-CA 3.23Å; D42-G46 PolarHBondContact O-N 3.26Å; D42-Y135 VanDerWaalsContact OD1-CE2 3.25Å; D42-Y135 WeakPolarHBondContact OD1-CE2 3.24Å; D42-Y135 PolarHBondContact OD1-OH 2.67Å; D42-Y135 PolarHBondContact OD2-OH 2.8Å
43	K	95	Very high	92.3	Very high	89 Å²	89	43.9 Å²	43.9	39%	0.387	25%	0.251	S	S	.	.	H	α-helix	trans	-65.6	-39.8	175	-64.7	-75.3	-175	141.1	0	111.4	T36 E39 S40 V41 C47	T36-K43 WeakPolarHBondContact O-CB 3.27Å; T36-K43 WeakPolarHBondContact O-CG 3.4Å; E39-K43 HydrophobicContact CB-CG 4.32Å; E39-K43 WeakPolarHBondContact OE2-CE 3.22Å; E39-K43 IonicContact OE2-NZ 3.81Å; E39-K43 PolarHBondContact OE2-NZ 3.33Å; S40-K43 WeakPolarHBondContact O-CB 3.3Å; S40-K43 PolarHBondContact O-N 3.12Å; S40-K43 VanDerWaalsContact O-N 3.15Å; S40-K43 PolarHBondContact OG-N 3.29Å; V41-K43 VanDerWaalsContact C-N 3.29Å; V41-K43 PolarHBondContact O-N 2.65Å; K43-C47 PolarHBondContact O-SG 3.46Å
44	V	94.9	Very high	93.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-49.2	174.6	177.2	0	0	0	0	110.8	W37 V41 D42 G46 G50 Q51 F54 Y143 F146	W37-V44 HydrophobicContact CB-CG2 3.73Å; W37-V44 HydrophobicContact CG-CG2 4.1Å; V41-V44 WeakPolarHBondContact O-CB 3.38Å; V41-V44 PolarHBondContact O-N 3.23Å; D42-V44 VanDerWaalsContact C-N 3.33Å; V44-G46 VanDerWaalsContact C-N 3.32Å; V44-G46 PolarHBondContact O-N 3.16Å; V44-G50 WeakPolarHBondContact CG1-O 3.4Å; V44-G50 CarbonylContact O-C 3.14Å; V44-G50 VanDerWaalsContact O-C 3.31Å; V44-G50 WeakPolarHBondContact O-CA 3.43Å; V44-Q51 PolarHBondContact O-N 2.66Å; V44-Q51 VanDerWaalsContact O-N 3.15Å; V44-F54 HydrophobicContact CG1-CB 3.49Å; V44-F54 VanDerWaalsContact CG1-CB 3.49Å; V44-F54 HydrophobicContact CG1-CD1 4.08Å; V44-F54 HydrophobicContact CG1-CG 3.86Å; V44-Y143 HydrophobicContact CG2-CD2 4.23Å; V44-Y143 HydrophobicContact CG2-CE2 3.72Å; V44-F146 HydrophobicContact CG1-CE1 4.34Å; V44-F146 HydrophobicContact CG2-CE1 4Å
45	L	95.1	Very high	93.7	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-73.5	-24.3	-176.9	-65.8	177.4	0	0	0	113	V41 D42 Q51 F54 I67 W70 Y135 M138	V41-L45 HydrophobicContact CG2-CD1 3.98Å; V41-L45 HydrophobicContact CG2-CG 4.14Å; V41-L45 WeakPolarHBondContact O-CB 3.34Å; V41-L45 WeakPolarHBondContact O-CG 3.49Å; V41-L45 PolarHBondContact O-N 2.84Å; D42-L45 PolarHBondContact O-N 2.98Å; L45-Q51 PolarHBondContact O-NE2 3.42Å; L45-F54 HydrophobicContact CD2-CD1 4.22Å; L45-I67 HydrophobicContact CD2-CD1 4.11Å; L45-I67 HydrophobicContact CD2-CG1 4.08Å; L45-W70 HydrophobicContact CB-CE3 4.47Å; L45-W70 HydrophobicContact CB-CH2 3.7Å; L45-W70 HydrophobicContact CB-CZ2 4.33Å; L45-W70 HydrophobicContact CB-CZ3 3.77Å; L45-W70 HydrophobicContact CD1-CD2 4.06Å; L45-W70 HydrophobicContact CD1-CE3 4.2Å; L45-W70 HydrophobicContact CD1-CH2 4.03Å; L45-W70 HydrophobicContact CD1-CZ2 3.87Å; L45-W70 HydrophobicContact CD1-CZ3 4.19Å; L45-W70 HydrophobicContact CD2-CE3 4.08Å; L45-W70 HydrophobicContact CD2-CZ3 4.17Å; L45-W70 HydrophobicContact CG-CE3 4.49Å; L45-W70 HydrophobicContact CG-CH2 4.37Å; L45-W70 HydrophobicContact CG-CZ3 4.26Å; L45-Y135 HydrophobicContact CD1-CD2 3.95Å; L45-Y135 HydrophobicContact CD1-CE2 3.96Å; L45-M138 HydrophobicContact CD1-CE 4.42Å
46	G	91.6	Very high	94.1	Very high	68 Å²	68	39.7 Å²	39.7	70%	0.701	23%	0.226	S	C	*	.	H	α-helix	trans	-79.2	-16.4	-178.1	0	0	0	0	0	114.8	D42 V44	D42-G46 WeakPolarHBondContact O-CA 3.23Å; D42-G46 PolarHBondContact O-N 3.26Å; V44-G46 VanDerWaalsContact C-N 3.32Å; V44-G46 PolarHBondContact O-N 3.16Å
47	C	89.4	Confident	94.4	Very high	36 Å²	36	38.3 Å²	38.3	24%	0.243	22%	0.217	C	C	.	.	S	Bend	trans	-121.2	147.5	180	70.9	0	0	0	0	112.4	W37 K43 A49 G50 Q51	W37-C47 PolarHBondContact NE1-SG 3.25Å; K43-C47 PolarHBondContact O-SG 3.46Å; C47-A49 PolarHBondContact O-N 2.99Å; C47-G50 PolarHBondContact O-N 2.85Å; C47-G50 PolarHBondContact SG-N 3.35Å; C47-Q51 VanDerWaalsContact O-CG 3.32Å; C47-Q51 WeakPolarHBondContact O-CG 3.49Å; C47-Q51 PolarHBondContact O-N 3.26Å
48	K	90.5	Very high	94.6	Very high	57 Å²	57	38 Å²	38	25%	0.248	22%	0.216	C	C	.	.	H	α-helix	trans	-67.2	-38.7	-173.9	-172.5	61.3	-179.4	175.7	0	112.6	L22 P27 Q51 I52	L22-K48 PolarHBondContact O-NZ 3.3Å; P27-K48 HydrophobicContact CG-CB 4.12Å; P27-K48 HydrophobicContact CG-CG 3.52Å; K48-Q51 PolarHBondContact O-N 2.96Å; K48-I52 HydrophobicContact CG-CD1 4.13Å; K48-I52 VanDerWaalsContact O-CG1 3.3Å; K48-I52 WeakPolarHBondContact O-CG1 3.44Å; K48-I52 PolarHBondContact O-N 3.33Å; K48-I52 VanDerWaalsContact O-N 3.07Å
49	A	90.8	Very high	94.7	Very high	20 Å²	20	39.8 Å²	39.8	17%	0.165	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-42.1	175.8	0	0	0	0	0	111.9	W37 C47 I52 A53	W37-A49 VanDerWaalsContact CH2-C 3.46Å; W37-A49 HydrophobicContact CH2-CB 4.03Å; W37-A49 HydrophobicContact CZ2-CB 3.79Å; C47-A49 PolarHBondContact O-N 2.99Å; A49-I52 PolarHBondContact O-N 2.89Å; A49-A53 WeakPolarHBondContact O-CB 3.48Å; A49-A53 PolarHBondContact O-N 2.82Å
50	G	93.6	Very high	94.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-46.7	176.3	0	0	0	0	0	112.1	W37 V44 C47 I52 A53 F54	W37-G50 VanDerWaalsContact CH2-CA 3.44Å; W37-G50 VanDerWaalsContact CZ2-CA 3.44Å; V44-G50 WeakPolarHBondContact CG1-O 3.4Å; V44-G50 CarbonylContact O-C 3.14Å; V44-G50 VanDerWaalsContact O-C 3.31Å; V44-G50 WeakPolarHBondContact O-CA 3.43Å; C47-G50 PolarHBondContact O-N 2.85Å; C47-G50 PolarHBondContact SG-N 3.35Å; G50-I52 VanDerWaalsContact C-N 3.3Å; G50-I52 PolarHBondContact O-N 3.18Å; G50-A53 PolarHBondContact O-N 3.48Å; G50-F54 VanDerWaalsContact O-CB 3.27Å; G50-F54 WeakPolarHBondContact O-CB 3.31Å; G50-F54 PolarHBondContact O-N 2.77Å
51	Q	95.6	Very high	94.8	Very high	31 Å²	31	38.9 Å²	38.9	15%	0.145	22%	0.215	C	C	.	.	H	α-helix	trans	-56.1	-43.4	174.6	-69.4	170.6	11.9	0	0	112.4	V44 L45 C47 K48 R55 I67 L71	V44-Q51 PolarHBondContact O-N 2.66Å; V44-Q51 VanDerWaalsContact O-N 3.15Å; L45-Q51 PolarHBondContact O-NE2 3.42Å; C47-Q51 VanDerWaalsContact O-CG 3.32Å; C47-Q51 WeakPolarHBondContact O-CG 3.49Å; C47-Q51 PolarHBondContact O-N 3.26Å; K48-Q51 PolarHBondContact O-N 2.96Å; Q51-R55 WeakPolarHBondContact O-CB 3.24Å; Q51-R55 PolarHBondContact O-N 3.36Å; Q51-I67 WeakPolarHBondContact O-CD1 3.37Å; Q51-L71 HydrophobicContact CG-CD2 4.14Å
52	I	94.4	Very high	94.7	Very high	32 Å²	32	48.6 Å²	48.6	16%	0.164	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-50.3	179.2	-69.1	165.1	0	0	0	110.4	F26 P27 K48 A49 G50 F54 R55 E56	F26-I52 HydrophobicContact CD1-CG2 4.17Å; F26-I52 HydrophobicContact CE1-CG2 3.78Å; F26-I52 HydrophobicContact CZ-CG2 4.39Å; P27-I52 HydrophobicContact CG-CD1 4.23Å; K48-I52 HydrophobicContact CG-CD1 4.13Å; K48-I52 VanDerWaalsContact O-CG1 3.3Å; K48-I52 WeakPolarHBondContact O-CG1 3.44Å; K48-I52 PolarHBondContact O-N 3.33Å; K48-I52 VanDerWaalsContact O-N 3.07Å; A49-I52 PolarHBondContact O-N 2.89Å; G50-I52 VanDerWaalsContact C-N 3.3Å; G50-I52 PolarHBondContact O-N 3.18Å; I52-F54 VanDerWaalsContact C-N 3.35Å; I52-F54 PolarHBondContact O-N 2.95Å; I52-R55 PolarHBondContact O-N 3.4Å; I52-E56 WeakPolarHBondContact O-CG 3.44Å; I52-E56 PolarHBondContact O-N 3.18Å
53	A	95.2	Very high	94.8	Very high	10 Å²	10	45.2 Å²	45.2	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-44.1	-179.4	0	0	0	0	0	112	W37 A49 G50 E56 F57 F146 I151 L155	W37-A53 HydrophobicContact CH2-CB 4.13Å; W37-A53 HydrophobicContact CZ3-CB 3.7Å; A49-A53 WeakPolarHBondContact O-CB 3.48Å; A49-A53 PolarHBondContact O-N 2.82Å; G50-A53 PolarHBondContact O-N 3.48Å; A53-E56 PolarHBondContact O-N 2.82Å; A53-F57 PolarHBondContact O-N 3.04Å; A53-F57 VanDerWaalsContact O-N 3.08Å; A53-F146 HydrophobicContact CB-CE2 4.13Å; A53-F146 HydrophobicContact CB-CZ 4.05Å; A53-I151 HydrophobicContact CB-CG2 4.38Å; A53-L155 HydrophobicContact CB-CD1 3.66Å
54	F	97.1	Very high	94.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.9	-37	179.7	-170.3	-136	0	0	0	112	V41 V44 L45 G50 I52 F57 L58 I67 M138 C142 F146	V41-F54 HydrophobicContact CG2-CE1 4.49Å; V44-F54 HydrophobicContact CG1-CB 3.49Å; V44-F54 VanDerWaalsContact CG1-CB 3.49Å; V44-F54 HydrophobicContact CG1-CD1 4.08Å; V44-F54 HydrophobicContact CG1-CG 3.86Å; L45-F54 HydrophobicContact CD2-CD1 4.22Å; G50-F54 VanDerWaalsContact O-CB 3.27Å; G50-F54 WeakPolarHBondContact O-CB 3.31Å; G50-F54 PolarHBondContact O-N 2.77Å; I52-F54 VanDerWaalsContact C-N 3.35Å; I52-F54 PolarHBondContact O-N 2.95Å; F54-F57 HydrophobicContact CD2-CD1 4.04Å; F54-F57 HydrophobicContact CE2-CD1 4.02Å; F54-F57 HydrophobicContact CE2-CE1 4.4Å; F54-F57 WeakPolarHBondContact O-CB 3.21Å; F54-F57 PolarHBondContact O-N 3.15Å; F54-L58 HydrophobicContact CD1-CD1 4.02Å; F54-L58 HydrophobicContact CD2-CG 4.4Å; F54-L58 HydrophobicContact CE1-CD1 3.85Å; F54-L58 HydrophobicContact CE1-CG 4.48Å; F54-L58 HydrophobicContact CE2-CD1 4.46Å; F54-L58 HydrophobicContact CE2-CD2 4.28Å; F54-L58 HydrophobicContact CE2-CG 4.23Å; F54-L58 HydrophobicContact CG-CD1 4.39Å; F54-L58 HydrophobicContact CZ-CD1 4.1Å; F54-L58 HydrophobicContact CZ-CD2 4.2Å; F54-L58 HydrophobicContact CZ-CG 4.27Å; F54-L58 VanDerWaalsContact O-CG 3.29Å; F54-L58 WeakPolarHBondContact O-CG 3.34Å; F54-L58 PolarHBondContact O-N 3.18Å; F54-I67 HydrophobicContact CB-CD1 4.3Å; F54-I67 HydrophobicContact CD1-CD1 3.79Å; F54-I67 HydrophobicContact CG-CD1 4.46Å; F54-M138 HydrophobicContact CE1-CB 4.22Å; F54-M138 HydrophobicContact CE1-CG 4.36Å; F54-M138 HydrophobicContact CE1-SD 3.85Å; F54-M138 HydrophobicContact CZ-CB 4.18Å; F54-M138 HydrophobicContact CZ-CG 4.5Å; F54-C142 HydrophobicContact CE2-CB 4.03Å; F54-C142 HydrophobicContact CZ-CB 3.79Å; F54-F146 HydrophobicContact CB-CE2 4.4Å; F54-F146 HydrophobicContact CB-CZ 4.44Å; F54-F146 HydrophobicContact CD2-CB 3.71Å; F54-F146 AromaticContact CD2-CD1 3.94Å; F54-F146 HydrophobicContact CD2-CD1 3.94Å; F54-F146 AromaticContact CD2-CD2 3.84Å; F54-F146 HydrophobicContact CD2-CD2 3.84Å; F54-F146 HydrophobicContact CD2-CE2 4.44Å; F54-F146 AromaticContact CD2-CG 3.54Å; F54-F146 HydrophobicContact CD2-CG 3.54Å; F54-F146 HydrophobicContact CE2-CB 3.71Å; F54-F146 HydrophobicContact CE2-CD1 4.49Å; F54-F146 HydrophobicContact CE2-CG 4.06Å
55	R	97.3	Very high	95.1	Very high	44 Å²	44	44.2 Å²	44.2	17%	0.166	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-45.7	172.6	-178.4	-180	171.4	-161.5	-6.2	112.4	F23 Q51 I52 F57 L58 K59 E64 I67	F23-R55 VanDerWaalsContact CE1-NH2 3.27Å; Q51-R55 WeakPolarHBondContact O-CB 3.24Å; Q51-R55 PolarHBondContact O-N 3.36Å; I52-R55 PolarHBondContact O-N 3.4Å; R55-F57 PolarHBondContact O-N 2.81Å; R55-L58 PolarHBondContact O-N 3.02Å; R55-K59 VanDerWaalsContact O-CB 3.3Å; R55-K59 WeakPolarHBondContact O-CB 3.13Å; R55-K59 PolarHBondContact O-N 3.07Å; R55-E64 IonicContact NE-OE2 3.83Å; R55-E64 IonicContact NH2-OE2 3.44Å; R55-I67 HydrophobicContact CB-CD1 4.21Å; R55-I67 HydrophobicContact CB-CG2 4Å; R55-I67 HydrophobicContact CG-CG2 4.02Å
56	E	96.7	Very high	95.2	Very high	85 Å²	85	44.3 Å²	44.3	40%	0.397	23%	0.233	S	C	.	.	H	α-helix	trans	-60.4	-39.1	177.4	-71.5	-58.3	134.5	0	0	111.2	I52 A53 K59 S60 I151	I52-E56 WeakPolarHBondContact O-CG 3.44Å; I52-E56 PolarHBondContact O-N 3.18Å; A53-E56 PolarHBondContact O-N 2.82Å; E56-K59 PolarHBondContact O-N 3.29Å; E56-S60 PolarHBondContact O-N 3.12Å; E56-I151 HydrophobicContact CB-CD1 4.4Å
57	F	97.6	Very high	95.5	Very high	7 Å²	7	41 Å²	41	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-61.3	-53.1	172	169.7	-99.3	0	0	0	112.5	A53 F54 R55 K59 S60 E61 C142 R145 F146 I151	A53-F57 PolarHBondContact O-N 3.04Å; A53-F57 VanDerWaalsContact O-N 3.08Å; F54-F57 HydrophobicContact CD2-CD1 4.04Å; F54-F57 HydrophobicContact CE2-CD1 4.02Å; F54-F57 HydrophobicContact CE2-CE1 4.4Å; F54-F57 WeakPolarHBondContact O-CB 3.21Å; F54-F57 PolarHBondContact O-N 3.15Å; R55-F57 PolarHBondContact O-N 2.81Å; F57-K59 PolarHBondContact O-N 2.92Å; F57-S60 WeakPolarHBondContact O-CB 3.42Å; F57-S60 PolarHBondContact O-N 2.7Å; F57-S60 PolarHBondContact O-OG 2.75Å; F57-E61 VanDerWaalsContact CE1-OE2 3.32Å; F57-E61 WeakPolarHBondContact CE1-OE2 3.49Å; F57-E61 HydrophobicContact CE2-CG 4.29Å; F57-E61 WeakPolarHBondContact CE2-OE1 3.48Å; F57-E61 HydrophobicContact CZ-CG 4.27Å; F57-E61 WeakPolarHBondContact CZ-OE1 3.49Å; F57-E61 WeakPolarHBondContact CZ-OE2 3.5Å; F57-E61 PolarHBondContact O-N 2.84Å; F57-C142 HydrophobicContact CE1-CB 4.41Å; F57-C142 VanDerWaalsContact CE1-O 3.27Å; F57-C142 WeakPolarHBondContact CE1-O 3.26Å; F57-R145 HydrophobicContact CE1-CB 4.44Å; F57-R145 HydrophobicContact CE2-CB 4.47Å; F57-R145 HydrophobicContact CZ-CB 3.66Å; F57-F146 HydrophobicContact CB-CD2 3.63Å; F57-F146 HydrophobicContact CB-CE2 4.26Å; F57-F146 HydrophobicContact CD1-CB 3.64Å; F57-F146 HydrophobicContact CD1-CD2 4.08Å; F57-F146 HydrophobicContact CD1-CG 4.31Å; F57-F146 HydrophobicContact CD2-CB 4.48Å; F57-F146 HydrophobicContact CD2-CD2 4.39Å; F57-F146 HydrophobicContact CE1-CB 3.77Å; F57-F146 HydrophobicContact CG-CB 4.02Å; F57-F146 AromaticContact CG-CD2 3.76Å; F57-F146 HydrophobicContact CG-CD2 3.76Å; F57-F146 HydrophobicContact CG-CG 4.38Å; F57-F146 HydrophobicContact CZ-CB 4.26Å; F57-F146 VanDerWaalsContact CZ-N 3.34Å; F57-I151 HydrophobicContact CB-CD1 3.86Å
58	L	97.4	Very high	95.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-36.2	179.1	-70.1	172.5	0	0	0	112.2	F54 R55 E61 Y62 S63 E64 I67 M138 C142	F54-L58 HydrophobicContact CD1-CD1 4.02Å; F54-L58 HydrophobicContact CD2-CG 4.4Å; F54-L58 HydrophobicContact CE1-CD1 3.85Å; F54-L58 HydrophobicContact CE1-CG 4.48Å; F54-L58 HydrophobicContact CE2-CD1 4.46Å; F54-L58 HydrophobicContact CE2-CD2 4.28Å; F54-L58 HydrophobicContact CE2-CG 4.23Å; F54-L58 HydrophobicContact CG-CD1 4.39Å; F54-L58 HydrophobicContact CZ-CD1 4.1Å; F54-L58 HydrophobicContact CZ-CD2 4.2Å; F54-L58 HydrophobicContact CZ-CG 4.27Å; F54-L58 VanDerWaalsContact O-CG 3.29Å; F54-L58 WeakPolarHBondContact O-CG 3.34Å; F54-L58 PolarHBondContact O-N 3.18Å; R55-L58 PolarHBondContact O-N 3.02Å; L58-E61 CarbonylContact O-C 3.45Å; L58-E61 PolarHBondContact O-N 3.15Å; L58-E61 VanDerWaalsContact O-N 3.12Å; L58-Y62 PolarHBondContact O-N 2.92Å; L58-Y62 VanDerWaalsContact O-N 3.08Å; L58-S63 WeakPolarHBondContact CD2-OG 3.46Å; L58-S63 PolarHBondContact O-N 3.19Å; L58-S63 PolarHBondContact O-OG 2.89Å; L58-E64 HydrophobicContact CB-CB 4.44Å; L58-I67 HydrophobicContact CD1-CB 3.56Å; L58-I67 HydrophobicContact CD1-CG2 3.55Å; L58-M138 HydrophobicContact CD1-SD 4.22Å; L58-C142 HydrophobicContact CD2-CB 3.5Å; L58-C142 VanDerWaalsContact CD2-SG 3.56Å
59	K	96.1	Very high	96.3	Very high	103 Å²	103	37.1 Å²	37.1	45%	0.448	18%	0.179	S	C	.	.	H	α-helix	trans	-64.7	-39.1	175.3	-174.1	-179.7	178.5	-171.8	0	112.2	R55 E56 F57 E61 Y62 E64	R55-K59 VanDerWaalsContact O-CB 3.3Å; R55-K59 WeakPolarHBondContact O-CB 3.13Å; R55-K59 PolarHBondContact O-N 3.07Å; E56-K59 PolarHBondContact O-N 3.29Å; F57-K59 PolarHBondContact O-N 2.92Å; K59-E61 PolarHBondContact O-N 3.26Å; K59-Y62 PolarHBondContact O-N 3.2Å; K59-E64 HydrophobicContact CB-CB 4.1Å
60	S	95.8	Very high	96.7	Very high	76 Å²	76	37.7 Å²	37.7	53%	0.531	18%	0.177	S	C	.	.	H	α-helix	trans	-63.7	-20.7	174.3	77.7	0	0	0	0	113	E56 F57	E56-S60 PolarHBondContact O-N 3.12Å; F57-S60 WeakPolarHBondContact O-CB 3.42Å; F57-S60 PolarHBondContact O-N 2.7Å; F57-S60 PolarHBondContact O-OG 2.75Å
61	E	95.5	Very high	96.9	Very high	63 Å²	63	38.3 Å²	38.3	29%	0.294	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	16.9	179.5	-57.9	-171.5	145.4	0	0	113.2	F57 L58 K59 S63 R145	F57-E61 VanDerWaalsContact CE1-OE2 3.32Å; F57-E61 WeakPolarHBondContact CE1-OE2 3.49Å; F57-E61 HydrophobicContact CE2-CG 4.29Å; F57-E61 WeakPolarHBondContact CE2-OE1 3.48Å; F57-E61 HydrophobicContact CZ-CG 4.27Å; F57-E61 WeakPolarHBondContact CZ-OE1 3.49Å; F57-E61 WeakPolarHBondContact CZ-OE2 3.5Å; F57-E61 PolarHBondContact O-N 2.84Å; L58-E61 CarbonylContact O-C 3.45Å; L58-E61 PolarHBondContact O-N 3.15Å; L58-E61 VanDerWaalsContact O-N 3.12Å; K59-E61 PolarHBondContact O-N 3.26Å; E61-S63 PolarHBondContact O-N 3.25Å; E61-R145 IonicContact OE1-CZ 3.81Å; E61-R145 IonicContact OE1-NH1 2.71Å; E61-R145 PolarHBondContact OE1-NH1 3.44Å; E61-R145 IonicContact OE2-CZ 3.26Å; E61-R145 VanDerWaalsContact OE2-CZ 3.26Å; E61-R145 IonicContact OE2-NH1 2.62Å; E61-R145 PolarHBondContact OE2-NH1 3.28Å; E61-R145 IonicContact OE2-NH2 3.28Å; E61-R145 PolarHBondContact OE2-NH2 2.82Å
62	Y	94.5	Very high	97	Very high	210 Å²	210	37 Å²	37	82%	0.824	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	36.5	178	-53	-86.4	0	0	0	114.1	L58 K59	L58-Y62 PolarHBondContact O-N 2.92Å; L58-Y62 VanDerWaalsContact O-N 3.08Å; K59-Y62 PolarHBondContact O-N 3.2Å
63	S	97	Very high	97.2	Very high	16 Å²	16	35.6 Å²	35.6	11%	0.112	17%	0.167	C	C	.	.			trans	-131	21.8	-178.1	57	0	0	0	0	112.9	L58 E61 E65 N66	L58-S63 WeakPolarHBondContact CD2-OG 3.46Å; L58-S63 PolarHBondContact O-N 3.19Å; L58-S63 PolarHBondContact O-OG 2.89Å; E61-S63 PolarHBondContact O-N 3.25Å; S63-E65 WeakPolarHBondContact CA-OE1 3.3Å; S63-E65 VanDerWaalsContact CA-OE2 3.25Å; S63-E65 WeakPolarHBondContact CA-OE2 3.35Å; S63-E65 PolarHBondContact O-N 3.25Å; S63-N66 PolarHBondContact O-N 3.39Å; S63-N66 PolarHBondContact O-ND2 3.33Å
64	E	97.1	Very high	97.3	Very high	30 Å²	30	37.8 Å²	37.8	14%	0.14	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.2	-176.9	65.7	166.2	-172.9	0	0	113.9	R55 L58 K59 N66 I67 L68 R103	R55-E64 IonicContact NE-OE2 3.83Å; R55-E64 IonicContact NH2-OE2 3.44Å; L58-E64 HydrophobicContact CB-CB 4.44Å; K59-E64 HydrophobicContact CB-CB 4.1Å; E64-N66 PolarHBondContact O-N 3.33Å; E64-I67 WeakPolarHBondContact O-CG2 3.45Å; E64-I67 PolarHBondContact O-N 3.45Å; E64-L68 HydrophobicContact CG-CD1 4.36Å; E64-L68 VanDerWaalsContact O-CG 3.3Å; E64-L68 WeakPolarHBondContact O-CG 3.46Å; E64-L68 PolarHBondContact O-N 3.27Å; E64-R103 IonicContact OE1-CZ 2.87Å; E64-R103 IonicContact OE1-NH1 2.7Å; E64-R103 PolarHBondContact OE1-NH1 3.47Å; E64-R103 IonicContact OE1-NH2 2.89Å
65	E	98.1	Very high	97.3	Very high	38 Å²	38	41.1 Å²	41.1	18%	0.178	19%	0.194	C	C	.	.	H	α-helix	trans	-57.7	-29.9	177.1	70.2	-68.8	160	0	0	112.7	S63 L68 F69 R103 I105	S63-E65 WeakPolarHBondContact CA-OE1 3.3Å; S63-E65 VanDerWaalsContact CA-OE2 3.25Å; S63-E65 WeakPolarHBondContact CA-OE2 3.35Å; S63-E65 PolarHBondContact O-N 3.25Å; E65-L68 PolarHBondContact O-N 3.44Å; E65-F69 VanDerWaalsContact O-CB 3.29Å; E65-F69 WeakPolarHBondContact O-CB 3.5Å; E65-F69 PolarHBondContact O-N 2.94Å; E65-R103 HydrophobicContact CB-CB 3.95Å; E65-I105 HydrophobicContact CG-CG2 4.23Å
66	N	98	Very high	97.3	Very high	4 Å²	4	39 Å²	39	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-49.7	-177.3	-63.6	-60.3	0	0	0	112.3	S63 E64 W70 V134 M138	S63-N66 PolarHBondContact O-N 3.39Å; S63-N66 PolarHBondContact O-ND2 3.33Å; E64-N66 PolarHBondContact O-N 3.33Å; N66-W70 WeakPolarHBondContact O-CB 3.42Å; N66-W70 PolarHBondContact O-N 3.08Å; N66-V134 HydrophobicContact CB-CG1 3.74Å; N66-V134 VanDerWaalsContact O-CG1 3.24Å; N66-V134 WeakPolarHBondContact O-CG1 3.11Å; N66-M138 HydrophobicContact CB-CG 3.85Å; N66-M138 HydrophobicContact CB-SD 3.88Å
67	I	97.9	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.9	-35.4	177.8	-167.6	178	0	0	0	111.3	L45 Q51 F54 R55 L58 E64 W70 L71 M138	L45-I67 HydrophobicContact CD2-CD1 4.11Å; L45-I67 HydrophobicContact CD2-CG1 4.08Å; Q51-I67 WeakPolarHBondContact O-CD1 3.37Å; F54-I67 HydrophobicContact CB-CD1 4.3Å; F54-I67 HydrophobicContact CD1-CD1 3.79Å; F54-I67 HydrophobicContact CG-CD1 4.46Å; R55-I67 HydrophobicContact CB-CD1 4.21Å; R55-I67 HydrophobicContact CB-CG2 4Å; R55-I67 HydrophobicContact CG-CG2 4.02Å; L58-I67 HydrophobicContact CD1-CB 3.56Å; L58-I67 HydrophobicContact CD1-CG2 3.55Å; E64-I67 WeakPolarHBondContact O-CG2 3.45Å; E64-I67 PolarHBondContact O-N 3.45Å; I67-W70 PolarHBondContact O-N 3.38Å; I67-L71 HydrophobicContact CD1-CD1 4.39Å; I67-L71 HydrophobicContact CG1-CD1 3.97Å; I67-L71 HydrophobicContact CG1-CG 4.22Å; I67-L71 WeakPolarHBondContact O-CB 3.29Å; I67-L71 VanDerWaalsContact O-CG 3.28Å; I67-L71 WeakPolarHBondContact O-CG 3.3Å; I67-L71 PolarHBondContact O-N 3.47Å; I67-M138 HydrophobicContact CB-SD 4Å
68	L	98.1	Very high	97.3	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-46.7	178	-70.2	174.5	0	0	0	111.3	F23 E64 E65 L71 A72 F96	F23-L68 HydrophobicContact CZ-CD2 4.21Å; E64-L68 HydrophobicContact CG-CD1 4.36Å; E64-L68 VanDerWaalsContact O-CG 3.3Å; E64-L68 WeakPolarHBondContact O-CG 3.46Å; E64-L68 PolarHBondContact O-N 3.27Å; E65-L68 PolarHBondContact O-N 3.44Å; L68-L71 PolarHBondContact O-N 2.97Å; L68-A72 WeakPolarHBondContact O-CB 3.3Å; L68-A72 PolarHBondContact O-N 3.38Å; L68-F96 HydrophobicContact CB-CE1 3.79Å; L68-F96 HydrophobicContact CB-CZ 3.88Å
69	F	98.6	Very high	97.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-45.3	175	174.1	-105	0	0	0	111.8	E65 L71 A72 C73 I92 F96 V97 I105 F127 A130 Q131 V134	E65-F69 VanDerWaalsContact O-CB 3.29Å; E65-F69 WeakPolarHBondContact O-CB 3.5Å; E65-F69 PolarHBondContact O-N 2.94Å; F69-L71 PolarHBondContact O-N 2.96Å; F69-A72 PolarHBondContact O-N 3.44Å; F69-C73 WeakPolarHBondContact CZ-SG 3.44Å; F69-C73 PolarHBondContact O-N 3.47Å; F69-C73 PolarHBondContact O-SG 3.15Å; F69-I92 HydrophobicContact CD2-CG2 4.05Å; F69-I92 HydrophobicContact CE2-CG2 3.74Å; F69-F96 HydrophobicContact CB-CB 4.39Å; F69-F96 HydrophobicContact CB-CD1 3.77Å; F69-F96 HydrophobicContact CB-CD2 4.47Å; F69-F96 HydrophobicContact CB-CE1 4.15Å; F69-F96 HydrophobicContact CB-CG 3.96Å; F69-F96 HydrophobicContact CD2-CB 3.55Å; F69-F96 HydrophobicContact CD2-CD1 4.41Å; F69-F96 AromaticContact CD2-CD2 3.99Å; F69-F96 HydrophobicContact CD2-CD2 3.99Å; F69-F96 AromaticContact CD2-CG 3.74Å; F69-F96 HydrophobicContact CD2-CG 3.74Å; F69-F96 HydrophobicContact CE2-CB 4.26Å; F69-F96 HydrophobicContact CG-CB 4.31Å; F69-F96 HydrophobicContact CG-CG 4.31Å; F69-V97 HydrophobicContact CE2-CG2 4.13Å; F69-I105 HydrophobicContact CB-CG2 3.72Å; F69-I105 HydrophobicContact CD1-CD1 3.64Å; F69-I105 HydrophobicContact CD1-CG2 4.3Å; F69-I105 HydrophobicContact CD2-CD1 3.93Å; F69-I105 HydrophobicContact CE1-CD1 3.47Å; F69-I105 VanDerWaalsContact CE1-CD1 3.47Å; F69-I105 HydrophobicContact CE2-CD1 3.79Å; F69-I105 HydrophobicContact CG-CD1 3.85Å; F69-I105 HydrophobicContact CG-CG2 3.93Å; F69-I105 HydrophobicContact CZ-CD1 3.56Å; F69-F127 HydrophobicContact CE2-CD1 4.34Å; F69-F127 HydrophobicContact CZ-CB 4.29Å; F69-F127 HydrophobicContact CZ-CD1 4.45Å; F69-A130 HydrophobicContact CE1-CB 3.97Å; F69-A130 HydrophobicContact CZ-CB 3.72Å; F69-Q131 HydrophobicContact CE1-CB 4.33Å; F69-V134 HydrophobicContact CD1-CB 4.09Å; F69-V134 HydrophobicContact CD1-CG1 4.22Å; F69-V134 HydrophobicContact CD1-CG2 3.77Å; F69-V134 HydrophobicContact CE1-CB 4.44Å; F69-V134 HydrophobicContact CE1-CG2 4.01Å
70	W	98.5	Very high	97.3	Very high	32 Å²	32	50.2 Å²	50.2	12%	0.121	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-45	179.9	-174.7	91.8	0	0	0	112	L45 N66 I67 C73 E74 Q131 Y135 M138	L45-W70 HydrophobicContact CB-CE3 4.47Å; L45-W70 HydrophobicContact CB-CH2 3.7Å; L45-W70 HydrophobicContact CB-CZ2 4.33Å; L45-W70 HydrophobicContact CB-CZ3 3.77Å; L45-W70 HydrophobicContact CD1-CD2 4.06Å; L45-W70 HydrophobicContact CD1-CE3 4.2Å; L45-W70 HydrophobicContact CD1-CH2 4.03Å; L45-W70 HydrophobicContact CD1-CZ2 3.87Å; L45-W70 HydrophobicContact CD1-CZ3 4.19Å; L45-W70 HydrophobicContact CD2-CE3 4.08Å; L45-W70 HydrophobicContact CD2-CZ3 4.17Å; L45-W70 HydrophobicContact CG-CE3 4.49Å; L45-W70 HydrophobicContact CG-CH2 4.37Å; L45-W70 HydrophobicContact CG-CZ3 4.26Å; N66-W70 WeakPolarHBondContact O-CB 3.42Å; N66-W70 PolarHBondContact O-N 3.08Å; I67-W70 PolarHBondContact O-N 3.38Å; W70-C73 WeakPolarHBondContact O-CB 3.34Å; W70-C73 PolarHBondContact O-N 3.06Å; W70-E74 HydrophobicContact CD2-CG 4.21Å; W70-E74 HydrophobicContact CE3-CG 4.03Å; W70-E74 HydrophobicContact CH2-CG 3.62Å; W70-E74 HydrophobicContact CZ2-CG 3.82Å; W70-E74 HydrophobicContact CZ3-CG 3.73Å; W70-E74 PolarHBondContact O-N 3.03Å; W70-E74 VanDerWaalsContact O-N 3.08Å; W70-Q131 HydrophobicContact CG-CG 4.31Å; W70-Q131 PolarHBondContact O-NE2 2.9Å; W70-Y135 AromaticContact NE1-CD2 3.66Å; W70-M138 HydrophobicContact CB-CE 3.78Å; W70-M138 HydrophobicContact CG-CE 3.9Å
71	L	98	Very high	97.3	Very high	13 Å²	13	49.9 Å²	49.9	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-40.1	176.8	-69.3	171.9	0	0	0	112	L22 Q51 I67 L68 F69 C73 E74 D75	L22-L71 HydrophobicContact CD2-CD1 4.03Å; Q51-L71 HydrophobicContact CG-CD2 4.14Å; I67-L71 HydrophobicContact CD1-CD1 4.39Å; I67-L71 HydrophobicContact CG1-CD1 3.97Å; I67-L71 HydrophobicContact CG1-CG 4.22Å; I67-L71 WeakPolarHBondContact O-CB 3.29Å; I67-L71 VanDerWaalsContact O-CG 3.28Å; I67-L71 WeakPolarHBondContact O-CG 3.3Å; I67-L71 PolarHBondContact O-N 3.47Å; L68-L71 PolarHBondContact O-N 2.97Å; F69-L71 PolarHBondContact O-N 2.96Å; L71-C73 VanDerWaalsContact C-N 3.27Å; L71-C73 PolarHBondContact O-N 2.94Å; L71-E74 PolarHBondContact O-N 3.35Å; L71-D75 PolarHBondContact O-N 3.31Å
72	A	98.1	Very high	97.3	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-37.6	175.4	0	0	0	0	0	111.8	F19 L68 F69 D75 Y76 I92 F96	F19-A72 HydrophobicContact CZ-CB 4.24Å; L68-A72 WeakPolarHBondContact O-CB 3.3Å; L68-A72 PolarHBondContact O-N 3.38Å; F69-A72 PolarHBondContact O-N 3.44Å; A72-D75 PolarHBondContact O-N 3.47Å; A72-Y76 VanDerWaalsContact O-CB 3.24Å; A72-Y76 WeakPolarHBondContact O-CB 3.45Å; A72-Y76 PolarHBondContact O-N 3.16Å; A72-I92 HydrophobicContact CB-CD1 4.22Å; A72-I92 HydrophobicContact CB-CG1 4.08Å; A72-F96 HydrophobicContact CB-CE2 4.35Å
73	C	98.3	Very high	97.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	23%	0.232	C	C	.	.	H	α-helix	trans	-67	-40	174.2	-66.3	0	0	0	0	112.4	F69 W70 L71 D75 Y76 K77 Q131	F69-C73 WeakPolarHBondContact CZ-SG 3.44Å; F69-C73 PolarHBondContact O-N 3.47Å; F69-C73 PolarHBondContact O-SG 3.15Å; W70-C73 WeakPolarHBondContact O-CB 3.34Å; W70-C73 PolarHBondContact O-N 3.06Å; L71-C73 VanDerWaalsContact C-N 3.27Å; L71-C73 PolarHBondContact O-N 2.94Å; C73-D75 VanDerWaalsContact C-N 3.33Å; C73-D75 PolarHBondContact O-N 3.41Å; C73-Y76 WeakPolarHBondContact O-CB 3.44Å; C73-Y76 PolarHBondContact O-N 3.19Å; C73-K77 WeakPolarHBondContact O-CG 3.44Å; C73-K77 PolarHBondContact O-N 2.85Å; C73-K77 VanDerWaalsContact O-N 3.09Å; C73-Q131 HydrophobicContact CB-CB 4.23Å; C73-Q131 HydrophobicContact CB-CG 3.78Å
74	E	97.9	Very high	97.4	Very high	57 Å²	57	50 Å²	50	27%	0.266	25%	0.249	S	C	.	.	H	α-helix	trans	-64.1	-38	176.3	-73.1	-58.3	101.5	0	0	112.4	W70 L71 K77 K78 Q131	W70-E74 HydrophobicContact CD2-CG 4.21Å; W70-E74 HydrophobicContact CE3-CG 4.03Å; W70-E74 HydrophobicContact CH2-CG 3.62Å; W70-E74 HydrophobicContact CZ2-CG 3.82Å; W70-E74 HydrophobicContact CZ3-CG 3.73Å; W70-E74 PolarHBondContact O-N 3.03Å; W70-E74 VanDerWaalsContact O-N 3.08Å; L71-E74 PolarHBondContact O-N 3.35Å; E74-K77 IonicContact OE1-NZ 3.7Å; E74-K77 PolarHBondContact OE1-NZ 3.21Å; E74-K78 VanDerWaalsContact O-CE 3.25Å; E74-K78 WeakPolarHBondContact O-CE 3.4Å; E74-K78 WeakPolarHBondContact O-CG 3.34Å; E74-Q131 PolarHBondContact OE1-NE2 3.29Å
75	D	96.8	Very high	97.4	Very high	69 Å²	69	49.7 Å²	49.7	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-72.4	-37.1	174	-73.2	-19.4	0	0	0	112.2	L71 A72 C73 K77 K78	L71-D75 PolarHBondContact O-N 3.31Å; A72-D75 PolarHBondContact O-N 3.47Å; C73-D75 VanDerWaalsContact C-N 3.33Å; C73-D75 PolarHBondContact O-N 3.41Å; D75-K77 VanDerWaalsContact C-N 3.32Å; D75-K77 PolarHBondContact O-N 3.13Å; D75-K78 WeakPolarHBondContact O-CB 3.24Å; D75-K78 PolarHBondContact O-N 3.21Å; D75-K78 VanDerWaalsContact O-N 3.08Å; D75-K78 IonicContact OD1-NZ 2.82Å; D75-K78 PolarHBondContact OD1-NZ 3.01Å
76	Y	98	Very high	97.4	Very high	1 Å²	1	51 Å²	51	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-57.1	-42.4	175.8	177.7	-101	0	0	0	112.8	A72 C73 K78 I79 M85 A89 I92 T123 F127	A72-Y76 VanDerWaalsContact O-CB 3.24Å; A72-Y76 WeakPolarHBondContact O-CB 3.45Å; A72-Y76 PolarHBondContact O-N 3.16Å; C73-Y76 WeakPolarHBondContact O-CB 3.44Å; C73-Y76 PolarHBondContact O-N 3.19Å; Y76-K78 PolarHBondContact O-N 2.95Å; Y76-K78 VanDerWaalsContact O-N 3.17Å; Y76-I79 HydrophobicContact CD2-CD1 3.78Å; Y76-I79 HydrophobicContact CE2-CD1 4.33Å; Y76-I79 HydrophobicContact CG-CD1 4.47Å; Y76-I79 WeakPolarHBondContact O-CB 3.29Å; Y76-I79 WeakPolarHBondContact O-CG1 3.27Å; Y76-I79 PolarHBondContact O-N 3.47Å; Y76-I79 VanDerWaalsContact O-N 3.16Å; Y76-M85 HydrophobicContact CE2-CG 3.82Å; Y76-M85 WeakPolarHBondContact CE2-O 3.5Å; Y76-M85 WeakPolarHBondContact OH-CG 3.28Å; Y76-A89 HydrophobicContact CE2-CB 3.73Å; Y76-I92 HydrophobicContact CD2-CD1 3.94Å; Y76-I92 HydrophobicContact CG-CD1 3.98Å; Y76-T123 VanDerWaalsContact CE1-O 3.26Å; Y76-T123 WeakPolarHBondContact CE1-O 3.5Å; Y76-T123 PolarHBondContact OH-O 3.19Å; Y76-F127 AromaticContact CD1-CD2 3.79Å; Y76-F127 HydrophobicContact CD1-CD2 3.79Å; Y76-F127 HydrophobicContact CD1-CE2 4.18Å; Y76-F127 HydrophobicContact CD2-CE2 4.26Å; Y76-F127 AromaticContact CE1-CD2 3.78Å; Y76-F127 HydrophobicContact CE1-CD2 3.78Å; Y76-F127 AromaticContact CE1-CE2 3.97Å; Y76-F127 HydrophobicContact CE1-CE2 3.97Å; Y76-F127 HydrophobicContact CE2-CE2 4.09Å; Y76-F127 HydrophobicContact CG-CD2 4.22Å; Y76-F127 HydrophobicContact CG-CE2 4.31Å; Y76-F127 AromaticContact CZ-CE2 3.94Å
77	K	97.4	Very high	97.4	Very high	78 Å²	78	54.7 Å²	54.7	34%	0.339	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.9	178	-70.7	173.4	-170.4	167.2	0	114.2	C73 E74 D75 D128	C73-K77 WeakPolarHBondContact O-CG 3.44Å; C73-K77 PolarHBondContact O-N 2.85Å; C73-K77 VanDerWaalsContact O-N 3.09Å; E74-K77 IonicContact OE1-NZ 3.7Å; E74-K77 PolarHBondContact OE1-NZ 3.21Å; D75-K77 VanDerWaalsContact C-N 3.32Å; D75-K77 PolarHBondContact O-N 3.13Å; K77-D128 WeakPolarHBondContact CE-OD1 3.29Å
78	K	96.8	Very high	97.4	Very high	133 Å²	133	55.3 Å²	55.3	58%	0.578	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-8.2	-179.9	-59.4	166.9	-163.7	158	0	112.7	E74 D75 Y76	E74-K78 VanDerWaalsContact O-CE 3.25Å; E74-K78 WeakPolarHBondContact O-CE 3.4Å; E74-K78 WeakPolarHBondContact O-CG 3.34Å; D75-K78 WeakPolarHBondContact O-CB 3.24Å; D75-K78 PolarHBondContact O-N 3.21Å; D75-K78 VanDerWaalsContact O-N 3.08Å; D75-K78 IonicContact OD1-NZ 2.82Å; D75-K78 PolarHBondContact OD1-NZ 3.01Å; Y76-K78 PolarHBondContact O-N 2.95Å; Y76-K78 VanDerWaalsContact O-N 3.17Å
79	I	96.6	Very high	97.4	Very high	18 Å²	18	54.8 Å²	54.8	9%	0.092	28%	0.283	C	S	.	.			trans	-65.8	136	-178.3	-66.3	171.2	0	0	0	110.4	Y76 T81 E84 M85	Y76-I79 HydrophobicContact CD2-CD1 3.78Å; Y76-I79 HydrophobicContact CE2-CD1 4.33Å; Y76-I79 HydrophobicContact CG-CD1 4.47Å; Y76-I79 WeakPolarHBondContact O-CB 3.29Å; Y76-I79 WeakPolarHBondContact O-CG1 3.27Å; Y76-I79 PolarHBondContact O-N 3.47Å; Y76-I79 VanDerWaalsContact O-N 3.16Å; I79-T81 WeakPolarHBondContact CG2-O 3.46Å; I79-E84 HydrophobicContact CD1-CG 4.2Å; I79-E84 HydrophobicContact CG1-CG 4.2Å; I79-E84 HydrophobicContact CG2-CB 3.78Å; I79-E84 HydrophobicContact CG2-CG 3.8Å; I79-M85 HydrophobicContact CG2-CB 3.9Å
80	K	95.3	Very high	97.4	Very high	200 Å²	200	58.2 Å²	58.2	87%	0.87	30%	0.302	S	S	*	.			trans	-108.3	-16.6	-175.7	-60.4	-175.6	-179.5	-179.9	0	114
81	T	96.8	Very high	97.3	Very high	70 Å²	70	60.5 Å²	60.5	43%	0.429	31%	0.31	S	S	.	.	S	Bend	trans	-116.2	141	-174.1	75.7	0	0	0	0	111.4	I79 E84 M85	I79-T81 WeakPolarHBondContact CG2-O 3.46Å; T81-E84 PolarHBondContact O-N 3.1Å; T81-E84 WeakPolarHBondContact OG1-CB 3.29Å; T81-E84 PolarHBondContact OG1-N 3.43Å; T81-M85 WeakPolarHBondContact O-CB 3.43Å; T81-M85 PolarHBondContact O-N 3.44Å
82	V	96.2	Very high	97.4	Very high	91 Å²	91	59.9 Å²	59.9	55%	0.552	31%	0.307	S	S	*	.	H	α-helix	trans	-60.2	-44.1	179.7	176.2	0	0	0	0	112.6	E84 M85 I86	V82-E84 PolarHBondContact O-N 3.29Å; V82-M85 HydrophobicContact CG1-CE 4.33Å; V82-M85 WeakPolarHBondContact O-CB 3.42Å; V82-M85 PolarHBondContact O-N 2.85Å; V82-I86 HydrophobicContact CG1-CD1 3.76Å; V82-I86 HydrophobicContact CG1-CG1 4.34Å; V82-I86 WeakPolarHBondContact O-CG1 3.25Å; V82-I86 PolarHBondContact O-N 3.46Å
83	P	96.8	Very high	97.4	Very high	98 Å²	98	61.4 Å²	61.4	64%	0.636	31%	0.312	S	S	*	.	H	α-helix	trans	-62.2	-41.6	179.1	-24	35.4	0	0	0	113.2	I86 S87	P83-I86 PolarHBondContact O-N 2.96Å; P83-S87 WeakPolarHBondContact O-CB 3.42Å; P83-S87 PolarHBondContact O-N 2.9Å
84	E	96.4	Very high	97.4	Very high	102 Å²	102	64.5 Å²	64.5	48%	0.477	33%	0.334	S	S	.	.	H	α-helix	trans	-66.7	-38.7	176.6	-174.4	-178.5	-171.6	0	0	111.3	I79 T81 V82 S87 S88	I79-E84 HydrophobicContact CD1-CG 4.2Å; I79-E84 HydrophobicContact CG1-CG 4.2Å; I79-E84 HydrophobicContact CG2-CB 3.78Å; I79-E84 HydrophobicContact CG2-CG 3.8Å; T81-E84 PolarHBondContact O-N 3.1Å; T81-E84 WeakPolarHBondContact OG1-CB 3.29Å; T81-E84 PolarHBondContact OG1-N 3.43Å; V82-E84 PolarHBondContact O-N 3.29Å; E84-S87 PolarHBondContact O-N 3.03Å; E84-S88 VanDerWaalsContact O-CB 3.24Å; E84-S88 WeakPolarHBondContact O-CB 3.46Å; E84-S88 PolarHBondContact O-N 2.77Å
85	M	97.6	Very high	97.4	Very high	24 Å²	24	64.2 Å²	64.2	12%	0.118	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-48.7	177	-178.4	-177.3	61.2	0	0	110.3	Y76 I79 T81 V82 S87 S88 A89 P122 L124	Y76-M85 HydrophobicContact CE2-CG 3.82Å; Y76-M85 WeakPolarHBondContact CE2-O 3.5Å; Y76-M85 WeakPolarHBondContact OH-CG 3.28Å; I79-M85 HydrophobicContact CG2-CB 3.9Å; T81-M85 WeakPolarHBondContact O-CB 3.43Å; T81-M85 PolarHBondContact O-N 3.44Å; V82-M85 HydrophobicContact CG1-CE 4.33Å; V82-M85 WeakPolarHBondContact O-CB 3.42Å; V82-M85 PolarHBondContact O-N 2.85Å; M85-S87 PolarHBondContact O-N 2.97Å; M85-S88 PolarHBondContact O-N 3.27Å; M85-A89 WeakPolarHBondContact O-CB 3.39Å; M85-A89 PolarHBondContact O-N 3.47Å; M85-P122 WeakPolarHBondContact CE-O 3.47Å; M85-L124 HydrophobicContact CG-CD2 4.46Å; M85-L124 HydrophobicContact SD-CD2 4.08Å; M85-L124 HydrophobicContact SD-CG 4.31Å
86	I	97.5	Very high	97.5	Very high	65 Å²	65	61.1 Å²	61.1	33%	0.333	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-47.3	176.9	-66.7	167.8	0	0	0	110.7	V82 P83 S88 N90 P122	V82-I86 HydrophobicContact CG1-CD1 3.76Å; V82-I86 HydrophobicContact CG1-CG1 4.34Å; V82-I86 WeakPolarHBondContact O-CG1 3.25Å; V82-I86 PolarHBondContact O-N 3.46Å; P83-I86 PolarHBondContact O-N 2.96Å; I86-S88 PolarHBondContact O-N 3.29Å; I86-N90 PolarHBondContact O-N 2.95Å; I86-N90 VanDerWaalsContact O-N 3.09Å; I86-N90 PolarHBondContact O-ND2 3.37Å; I86-P122 HydrophobicContact CG1-CG 4.03Å
87	S	97.4	Very high	97.5	Very high	81 Å²	81	61 Å²	61	57%	0.566	32%	0.316	S	S	*	.	H	α-helix	trans	-62.6	-43.2	179.5	-176.3	0	0	0	0	112.4	P83 E84 M85 R91	P83-S87 WeakPolarHBondContact O-CB 3.42Å; P83-S87 PolarHBondContact O-N 2.9Å; E84-S87 PolarHBondContact O-N 3.03Å; M85-S87 PolarHBondContact O-N 2.97Å; S87-R91 PolarHBondContact O-N 3.23Å
88	S	97.8	Very high	97.4	Very high	13 Å²	13	60.7 Å²	60.7	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-71.6	-40.2	-179.1	-167.4	0	0	0	0	111.7	E84 M85 I86 N90 R91 I92	E84-S88 VanDerWaalsContact O-CB 3.24Å; E84-S88 WeakPolarHBondContact O-CB 3.46Å; E84-S88 PolarHBondContact O-N 2.77Å; M85-S88 PolarHBondContact O-N 3.27Å; I86-S88 PolarHBondContact O-N 3.29Å; S88-N90 PolarHBondContact O-N 2.65Å; S88-R91 WeakPolarHBondContact O-CB 3.45Å; S88-R91 PolarHBondContact O-N 3.21Å; S88-I92 WeakPolarHBondContact O-CG1 3.47Å; S88-I92 PolarHBondContact O-N 3.26Å
89	A	98.3	Very high	97.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-48	175.6	0	0	0	0	0	111.4	Y76 M85 R91 I92 Y93 I119 P122 F127	Y76-A89 HydrophobicContact CE2-CB 3.73Å; M85-A89 WeakPolarHBondContact O-CB 3.39Å; M85-A89 PolarHBondContact O-N 3.47Å; A89-R91 VanDerWaalsContact C-N 3.28Å; A89-R91 PolarHBondContact O-N 2.56Å; A89-I92 PolarHBondContact O-N 2.77Å; A89-Y93 VanDerWaalsContact O-CB 3.29Å; A89-Y93 WeakPolarHBondContact O-CB 3.45Å; A89-Y93 PolarHBondContact O-N 3.18Å; A89-I119 HydrophobicContact CB-CD1 3.91Å; A89-P122 HydrophobicContact CB-CB 3.6Å; A89-P122 HydrophobicContact CB-CG 3.67Å; A89-F127 HydrophobicContact CB-CE2 4.06Å; A89-F127 HydrophobicContact CB-CZ 4.11Å
90	N	98.1	Very high	97.1	Very high	72 Å²	72	64 Å²	64	39%	0.385	34%	0.34	S	S	.	.	H	α-helix	trans	-60.8	-37.7	177.7	-79.3	-63.4	0	0	0	112.4	I86 S88 Y93 S94	I86-N90 PolarHBondContact O-N 2.95Å; I86-N90 VanDerWaalsContact O-N 3.09Å; I86-N90 PolarHBondContact O-ND2 3.37Å; S88-N90 PolarHBondContact O-N 2.65Å; N90-Y93 PolarHBondContact O-N 3.15Å; N90-S94 WeakPolarHBondContact O-CB 3.25Å; N90-S94 PolarHBondContact O-N 3.28Å; N90-S94 PolarHBondContact O-OG 2.78Å
91	R	98.2	Very high	97.1	Very high	80 Å²	80	55 Å²	55	30%	0.302	30%	0.303	S	S	.	.	H	α-helix	trans	-66.1	-47.7	175.6	-177.8	176	62.8	163.7	8.7	112.2	F19 S87 S88 A89 Y93 S94 E95	F19-R91 HydrophobicContact CE2-CG 4.36Å; S87-R91 PolarHBondContact O-N 3.23Å; S88-R91 WeakPolarHBondContact O-CB 3.45Å; S88-R91 PolarHBondContact O-N 3.21Å; A89-R91 VanDerWaalsContact C-N 3.28Å; A89-R91 PolarHBondContact O-N 2.56Å; R91-Y93 VanDerWaalsContact C-N 3.27Å; R91-Y93 PolarHBondContact O-N 3.15Å; R91-S94 PolarHBondContact O-N 3Å; R91-S94 PolarHBondContact O-OG 3.2Å; R91-E95 VanDerWaalsContact O-CB 3.29Å; R91-E95 WeakPolarHBondContact O-CB 3.38Å; R91-E95 PolarHBondContact O-N 3.37Å
92	I	98.6	Very high	97.1	Very high	1 Å²	1	57 Å²	57	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-42.1	176.5	-68.1	168.5	0	0	0	110.1	F69 A72 Y76 S88 A89 F96 F127	F69-I92 HydrophobicContact CD2-CG2 4.05Å; F69-I92 HydrophobicContact CE2-CG2 3.74Å; A72-I92 HydrophobicContact CB-CD1 4.22Å; A72-I92 HydrophobicContact CB-CG1 4.08Å; Y76-I92 HydrophobicContact CD2-CD1 3.94Å; Y76-I92 HydrophobicContact CG-CD1 3.98Å; S88-I92 WeakPolarHBondContact O-CG1 3.47Å; S88-I92 PolarHBondContact O-N 3.26Å; A89-I92 PolarHBondContact O-N 2.77Å; I92-F96 HydrophobicContact CG2-CD2 4.28Å; I92-F96 WeakPolarHBondContact O-CB 3.42Å; I92-F96 WeakPolarHBondContact O-CD2 3.44Å; I92-F96 PolarHBondContact O-N 3.5Å; I92-F127 HydrophobicContact CB-CE1 4.31Å; I92-F127 HydrophobicContact CB-CE2 4.16Å; I92-F127 HydrophobicContact CB-CZ 3.87Å; I92-F127 HydrophobicContact CD1-CD2 4.39Å; I92-F127 HydrophobicContact CD1-CE2 4.07Å; I92-F127 HydrophobicContact CG2-CD1 4.01Å; I92-F127 HydrophobicContact CG2-CD2 4.33Å; I92-F127 HydrophobicContact CG2-CE1 3.69Å; I92-F127 HydrophobicContact CG2-CE2 4.05Å; I92-F127 HydrophobicContact CG2-CG 4.32Å; I92-F127 HydrophobicContact CG2-CZ 3.72Å
93	Y	98.4	Very high	97.1	Very high	35 Å²	35	56.8 Å²	56.8	14%	0.137	31%	0.306	C	S	.	.	I	π-helix	trans	-62.2	-49.9	178.7	175.8	-100.3	0	0	0	112.3	A89 N90 R91 E95 V97 H98 I115 T116 I119	A89-Y93 VanDerWaalsContact O-CB 3.29Å; A89-Y93 WeakPolarHBondContact O-CB 3.45Å; A89-Y93 PolarHBondContact O-N 3.18Å; N90-Y93 PolarHBondContact O-N 3.15Å; R91-Y93 VanDerWaalsContact C-N 3.27Å; R91-Y93 PolarHBondContact O-N 3.15Å; Y93-E95 VanDerWaalsContact C-N 3.33Å; Y93-E95 PolarHBondContact O-N 3.17Å; Y93-V97 HydrophobicContact CD2-CB 3.73Å; Y93-V97 HydrophobicContact CD2-CG1 3.82Å; Y93-V97 HydrophobicContact CE2-CB 4.22Å; Y93-V97 HydrophobicContact CE2-CG1 3.95Å; Y93-V97 HydrophobicContact CG-CB 4.49Å; Y93-V97 CarbonylContact O-C 3.59Å; Y93-V97 WeakPolarHBondContact O-CA 3.24Å; Y93-V97 PolarHBondContact O-N 2.96Å; Y93-H98 HydrophobicContact CD1-CB 4.49Å; Y93-H98 HydrophobicContact CE1-CB 4.1Å; Y93-H98 AromaticContact CE1-CD2 3.66Å; Y93-H98 AromaticContact CZ-CD2 3.85Å; Y93-H98 PolarHBondContact O-N 3.41Å; Y93-H98 PolarHBondContact OH-CD2 3.45Å; Y93-I115 HydrophobicContact CD2-CG2 3.93Å; Y93-I115 HydrophobicContact CE2-CG2 4.48Å; Y93-T116 WeakPolarHBondContact OH-CG2 3.47Å; Y93-T116 PolarHBondContact OH-OG1 3.44Å; Y93-I119 HydrophobicContact CD1-CG1 4.24Å; Y93-I119 HydrophobicContact CD2-CD1 4.38Å; Y93-I119 HydrophobicContact CD2-CG1 4.22Å; Y93-I119 HydrophobicContact CG-CD1 4.11Å; Y93-I119 HydrophobicContact CG-CG1 3.84Å
94	S	98	Very high	97.1	Very high	66 Å²	66	56 Å²	56	46%	0.462	29%	0.294	S	S	.	.	I	π-helix	trans	-68.9	-30.4	-178.7	64	0	0	0	0	113.3	N90 R91 A101 P102	N90-S94 WeakPolarHBondContact O-CB 3.25Å; N90-S94 PolarHBondContact O-N 3.28Å; N90-S94 PolarHBondContact O-OG 2.78Å; R91-S94 PolarHBondContact O-N 3Å; R91-S94 PolarHBondContact O-OG 3.2Å; S94-A101 WeakPolarHBondContact O-CB 3.5Å; S94-P102 WeakPolarHBondContact O-CD 3.44Å
95	E	98.1	Very high	97.2	Very high	51 Å²	51	51.1 Å²	51.1	24%	0.238	27%	0.271	C	S	.	.	I	π-helix	trans	-83.1	-34.7	-177.8	-170.9	171.1	178.5	0	0	113.3	R91 Y93 A101 R103	R91-E95 VanDerWaalsContact O-CB 3.29Å; R91-E95 WeakPolarHBondContact O-CB 3.38Å; R91-E95 PolarHBondContact O-N 3.37Å; Y93-E95 VanDerWaalsContact C-N 3.33Å; Y93-E95 PolarHBondContact O-N 3.17Å; E95-A101 WeakPolarHBondContact O-CB 3.29Å; E95-R103 CarbonylContact O-C 3.6Å; E95-R103 WeakPolarHBondContact O-CA 3.46Å; E95-R103 WeakPolarHBondContact O-CB 3.5Å; E95-R103 PolarHBondContact O-N 3Å; E95-R103 VanDerWaalsContact O-N 3.12Å; E95-R103 IonicContact OE1-NE 3.83Å
96	F	98.4	Very high	97	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.018	30%	0.301	C	S	.	.	I	π-helix	trans	-124.5	-29.8	-170.3	-57.7	-77.8	0	0	0	115.4	L68 F69 A72 I92 R103 Q104 I105	L68-F96 HydrophobicContact CB-CE1 3.79Å; L68-F96 HydrophobicContact CB-CZ 3.88Å; F69-F96 HydrophobicContact CB-CB 4.39Å; F69-F96 HydrophobicContact CB-CD1 3.77Å; F69-F96 HydrophobicContact CB-CD2 4.47Å; F69-F96 HydrophobicContact CB-CE1 4.15Å; F69-F96 HydrophobicContact CB-CG 3.96Å; F69-F96 HydrophobicContact CD2-CB 3.55Å; F69-F96 HydrophobicContact CD2-CD1 4.41Å; F69-F96 AromaticContact CD2-CD2 3.99Å; F69-F96 HydrophobicContact CD2-CD2 3.99Å; F69-F96 AromaticContact CD2-CG 3.74Å; F69-F96 HydrophobicContact CD2-CG 3.74Å; F69-F96 HydrophobicContact CE2-CB 4.26Å; F69-F96 HydrophobicContact CG-CB 4.31Å; F69-F96 HydrophobicContact CG-CG 4.31Å; A72-F96 HydrophobicContact CB-CE2 4.35Å; I92-F96 HydrophobicContact CG2-CD2 4.28Å; I92-F96 WeakPolarHBondContact O-CB 3.42Å; I92-F96 WeakPolarHBondContact O-CD2 3.44Å; I92-F96 PolarHBondContact O-N 3.5Å; F96-R103 HydrophobicContact CD1-CB 3.95Å; F96-R103 WeakPolarHBondContact CD1-O 3.35Å; F96-R103 HydrophobicContact CE1-CB 3.93Å; F96-Q104 CarbonylContact O-C 3.31Å; F96-Q104 VanDerWaalsContact O-CA 3.3Å; F96-Q104 WeakPolarHBondContact O-CA 3.15Å; F96-I105 HydrophobicContact CB-CG2 4.26Å; F96-I105 HydrophobicContact CD1-CG2 4.3Å; F96-I105 WeakPolarHBondContact O-CG1 3.34Å; F96-I105 PolarHBondContact O-N 3.31Å
97	V	97.9	Very high	96.9	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	I	π-helix	trans	-106.2	-35.5	-166.8	-176.6	0	0	0	0	113.3	F69 Y93 I107 R112 I115 F127	F69-V97 HydrophobicContact CE2-CG2 4.13Å; Y93-V97 HydrophobicContact CD2-CB 3.73Å; Y93-V97 HydrophobicContact CD2-CG1 3.82Å; Y93-V97 HydrophobicContact CE2-CB 4.22Å; Y93-V97 HydrophobicContact CE2-CG1 3.95Å; Y93-V97 HydrophobicContact CG-CB 4.49Å; Y93-V97 CarbonylContact O-C 3.59Å; Y93-V97 WeakPolarHBondContact O-CA 3.24Å; Y93-V97 PolarHBondContact O-N 2.96Å; V97-I107 HydrophobicContact CG1-CD1 4.4Å; V97-R112 HydrophobicContact CG1-CG 3.99Å; V97-R112 WeakPolarHBondContact O-CD 3.33Å; V97-R112 WeakPolarHBondContact O-CG 3.31Å; V97-R112 PolarHBondContact O-NH1 3.07Å; V97-I115 HydrophobicContact CG1-CB 4.1Å; V97-I115 HydrophobicContact CG1-CD1 4.02Å; V97-I115 HydrophobicContact CG1-CG2 3.95Å; V97-I115 HydrophobicContact CG2-CD1 4.32Å; V97-F127 HydrophobicContact CG2-CE1 4.33Å
98	H	96.3	Very high	96.8	Very high	71 Å²	71	53.4 Å²	53.4	33%	0.329	28%	0.278	S	S	.	.	S	Bend	trans	-55	152.1	-180	-170.4	-96.2	0	0	0	111.8	Y93 E100 A101 Q104	Y93-H98 HydrophobicContact CD1-CB 4.49Å; Y93-H98 HydrophobicContact CE1-CB 4.1Å; Y93-H98 AromaticContact CE1-CD2 3.66Å; Y93-H98 AromaticContact CZ-CD2 3.85Å; Y93-H98 PolarHBondContact O-N 3.41Å; Y93-H98 PolarHBondContact OH-CD2 3.45Å; H98-E100 PolarHBondContact ND1-N 3.44Å; H98-E100 VanDerWaalsContact ND1-N 3.15Å; H98-E100 PolarHBondContact O-N 2.75Å; H98-A101 HydrophobicContact CB-CB 4.12Å; H98-A101 WeakPolarHBondContact O-CB 3.33Å; H98-A101 PolarHBondContact O-N 2.94Å; H98-A101 VanDerWaalsContact O-N 3.07Å; H98-Q104 PolarHBondContact O-NE2 3.03Å
99	S	92.1	Very high	96.7	Very high	69 Å²	69	56.8 Å²	56.8	48%	0.483	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-36	-178.1	68.5	0	0	0	0	112.2	Q104	S99-Q104 VanDerWaalsContact C-NE2 3.27Å; S99-Q104 PolarHBondContact O-NE2 3.32Å
100	E	94.5	Very high	96.6	Very high	151 Å²	151	60.7 Å²	60.7	71%	0.706	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	22.1	177.4	-50	-47.2	116.2	0	0	113	H98	H98-E100 PolarHBondContact ND1-N 3.44Å; H98-E100 VanDerWaalsContact ND1-N 3.15Å; H98-E100 PolarHBondContact O-N 2.75Å
101	A	96.6	Very high	96.6	Very high	11 Å²	11	57.9 Å²	57.9	9%	0.091	31%	0.31	C	S	.	.			trans	-64.7	133.3	-179.1	0	0	0	0	0	110.9	S94 E95 H98 R103 Q104	S94-A101 WeakPolarHBondContact O-CB 3.5Å; E95-A101 WeakPolarHBondContact O-CB 3.29Å; H98-A101 HydrophobicContact CB-CB 4.12Å; H98-A101 WeakPolarHBondContact O-CB 3.33Å; H98-A101 PolarHBondContact O-N 2.94Å; H98-A101 VanDerWaalsContact O-N 3.07Å; A101-R103 PolarHBondContact O-N 2.95Å; A101-Q104 HydrophobicContact CB-CB 4.04Å; A101-Q104 WeakPolarHBondContact O-CB 3.36Å; A101-Q104 PolarHBondContact O-N 3.44Å
102	P	96.2	Very high	96.5	Very high	112 Å²	112	56.1 Å²	56.1	73%	0.727	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.3	-176.9	27.5	-35.9	0	0	0	113.3	S94	S94-P102 WeakPolarHBondContact O-CD 3.44Å
103	R	96.2	Very high	96.5	Very high	87 Å²	87	60.7 Å²	60.7	33%	0.328	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	45.1	176.9	-62.4	178.2	-179.4	-83.4	-2	110	E64 E65 E95 F96 A101 I105	E64-R103 IonicContact OE1-CZ 2.87Å; E64-R103 IonicContact OE1-NH1 2.7Å; E64-R103 PolarHBondContact OE1-NH1 3.47Å; E64-R103 IonicContact OE1-NH2 2.89Å; E65-R103 HydrophobicContact CB-CB 3.95Å; E95-R103 CarbonylContact O-C 3.6Å; E95-R103 WeakPolarHBondContact O-CA 3.46Å; E95-R103 WeakPolarHBondContact O-CB 3.5Å; E95-R103 PolarHBondContact O-N 3Å; E95-R103 VanDerWaalsContact O-N 3.12Å; E95-R103 IonicContact OE1-NE 3.83Å; F96-R103 HydrophobicContact CD1-CB 3.95Å; F96-R103 WeakPolarHBondContact CD1-O 3.35Å; F96-R103 HydrophobicContact CE1-CB 3.93Å; A101-R103 PolarHBondContact O-N 2.95Å; R103-I105 PolarHBondContact O-N 2.9Å
104	Q	97.3	Very high	96.4	Very high	81 Å²	81	62.8 Å²	62.8	38%	0.379	34%	0.339	S	S	.	.			trans	-55.8	125.8	-174.5	-176.6	178.3	75.9	0	0	112.2	F96 H98 S99 A101	F96-Q104 CarbonylContact O-C 3.31Å; F96-Q104 VanDerWaalsContact O-CA 3.3Å; F96-Q104 WeakPolarHBondContact O-CA 3.15Å; H98-Q104 PolarHBondContact O-NE2 3.03Å; S99-Q104 VanDerWaalsContact C-NE2 3.27Å; S99-Q104 PolarHBondContact O-NE2 3.32Å; A101-Q104 HydrophobicContact CB-CB 4.04Å; A101-Q104 WeakPolarHBondContact O-CB 3.36Å; A101-Q104 PolarHBondContact O-N 3.44Å
105	I	97.3	Very high	96.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.319	C	S	.	.			trans	-79.3	146.7	172.3	59.6	172.7	0	0	0	111.7	E65 F69 F96 R103 I107 R112 A130 V134	E65-I105 HydrophobicContact CG-CG2 4.23Å; F69-I105 HydrophobicContact CB-CG2 3.72Å; F69-I105 HydrophobicContact CD1-CD1 3.64Å; F69-I105 HydrophobicContact CD1-CG2 4.3Å; F69-I105 HydrophobicContact CD2-CD1 3.93Å; F69-I105 HydrophobicContact CE1-CD1 3.47Å; F69-I105 VanDerWaalsContact CE1-CD1 3.47Å; F69-I105 HydrophobicContact CE2-CD1 3.79Å; F69-I105 HydrophobicContact CG-CD1 3.85Å; F69-I105 HydrophobicContact CG-CG2 3.93Å; F69-I105 HydrophobicContact CZ-CD1 3.56Å; F96-I105 HydrophobicContact CB-CG2 4.26Å; F96-I105 HydrophobicContact CD1-CG2 4.3Å; F96-I105 WeakPolarHBondContact O-CG1 3.34Å; F96-I105 PolarHBondContact O-N 3.31Å; R103-I105 PolarHBondContact O-N 2.9Å; I105-I107 HydrophobicContact CD1-CD1 4.11Å; I105-I107 HydrophobicContact CD1-CG1 4.41Å; I105-I107 HydrophobicContact CD1-CG2 3.75Å; I105-I107 HydrophobicContact CG1-CD1 4.3Å; I105-I107 HydrophobicContact CG1-CG1 4.23Å; I105-I107 HydrophobicContact CG1-CG2 4.06Å; I105-I107 PolarHBondContact O-N 3.34Å; I105-I107 VanDerWaalsContact O-N 3.15Å; I105-R112 PolarHBondContact O-NH2 3.34Å; I105-R112 VanDerWaalsContact O-NH2 3.07Å; I105-A130 HydrophobicContact CD1-CB 4.3Å; I105-V134 HydrophobicContact CB-CG2 4.23Å; I105-V134 HydrophobicContact CD1-CG2 3.86Å; I105-V134 HydrophobicContact CG2-CG2 4.39Å
106	N	94.6	Very high	96.3	Very high	137 Å²	137	60.4 Å²	60.4	73%	0.733	32%	0.324	S	S	*	.			trans	-82	89.9	176.2	-170.9	8.6	0	0	0	110.9
107	I	95.6	Very high	96.2	Very high	11 Å²	11	66.5 Å²	66.5	6%	0.056	35%	0.351	C	S	.	.			trans	-125.1	154.9	174.1	58.5	172.3	0	0	0	110.2	V97 I105 T111 R112 I115 A130 L133 V134	V97-I107 HydrophobicContact CG1-CD1 4.4Å; I105-I107 HydrophobicContact CD1-CD1 4.11Å; I105-I107 HydrophobicContact CD1-CG1 4.41Å; I105-I107 HydrophobicContact CD1-CG2 3.75Å; I105-I107 HydrophobicContact CG1-CD1 4.3Å; I105-I107 HydrophobicContact CG1-CG1 4.23Å; I105-I107 HydrophobicContact CG1-CG2 4.06Å; I105-I107 PolarHBondContact O-N 3.34Å; I105-I107 VanDerWaalsContact O-N 3.15Å; I107-T111 HydrophobicContact CD1-CG2 4.01Å; I107-R112 HydrophobicContact CD1-CB 4.14Å; I107-R112 HydrophobicContact CG1-CB 4.41Å; I107-R112 PolarHBondContact O-NH2 3.34Å; I107-I115 HydrophobicContact CD1-CD1 4.34Å; I107-A130 HydrophobicContact CD1-CB 4.15Å; I107-A130 HydrophobicContact CG2-CB 4.33Å; I107-L133 HydrophobicContact CB-CD1 4.42Å; I107-L133 HydrophobicContact CG2-CB 4.42Å; I107-L133 HydrophobicContact CG2-CD1 4.26Å; I107-V134 HydrophobicContact CG2-CG2 4.3Å
108	D	94.9	Very high	96.1	Very high	69 Å²	69	71.1 Å²	71.1	37%	0.369	38%	0.376	S	S	.	.			trans	-63.6	157	179.3	70.7	90.8	0	0	0	112.5	T110 T111 R112 L133	D108-T110 VanDerWaalsContact C-N 3.26Å; D108-T110 PolarHBondContact O-N 3.25Å; D108-T110 WeakPolarHBondContact OD1-CA 3.32Å; D108-T110 WeakPolarHBondContact OD1-CB 3.44Å; D108-T110 PolarHBondContact OD1-N 3.22Å; D108-T111 PolarHBondContact O-N 3.48Å; D108-T111 PolarHBondContact OD1-N 3.15Å; D108-T111 PolarHBondContact OD1-OG1 3.4Å; D108-T111 WeakPolarHBondContact OD2-CB 3.46Å; D108-T111 PolarHBondContact OD2-OG1 2.79Å; D108-R112 PolarHBondContact O-N 3.01Å; D108-R112 VanDerWaalsContact O-N 3.12Å; D108-L133 WeakPolarHBondContact OD2-CD1 3.28Å
109	C	94.9	Very high	96.1	Very high	85 Å²	85	68.8 Å²	68.8	57%	0.574	37%	0.365	S	S	*	.	H	α-helix	trans	-58.7	-37.8	-177.8	56.2	0	0	0	0	112.6	R112 E113	C109-R112 PolarHBondContact O-N 2.93Å; C109-E113 WeakPolarHBondContact O-CB 3.49Å; C109-E113 WeakPolarHBondContact O-CG 3.4Å; C109-E113 PolarHBondContact O-N 3Å
110	T	96.7	Very high	96.2	Very high	82 Å²	82	70 Å²	70	50%	0.503	37%	0.373	S	S	.	.	H	α-helix	trans	-66.9	-45	-177	-57.2	0	0	0	0	110.3	D108 R112 E113 N114	D108-T110 VanDerWaalsContact C-N 3.26Å; D108-T110 PolarHBondContact O-N 3.25Å; D108-T110 WeakPolarHBondContact OD1-CA 3.32Å; D108-T110 WeakPolarHBondContact OD1-CB 3.44Å; D108-T110 PolarHBondContact OD1-N 3.22Å; T110-R112 VanDerWaalsContact C-N 3.35Å; T110-R112 PolarHBondContact O-N 3.35Å; T110-E113 PolarHBondContact O-N 3.15Å; T110-N114 WeakPolarHBondContact O-CB 3.47Å; T110-N114 PolarHBondContact O-N 2.99Å; T110-N114 PolarHBondContact O-ND2 3.08Å
111	T	96.9	Very high	96.2	Very high	12 Å²	12	70.7 Å²	70.7	7%	0.074	38%	0.377	C	S	.	.	H	α-helix	trans	-60.8	-44.8	175.5	-61.4	0	0	0	0	111.2	I107 D108 N114 I115 T129 A130 L133	I107-T111 HydrophobicContact CD1-CG2 4.01Å; D108-T111 PolarHBondContact O-N 3.48Å; D108-T111 PolarHBondContact OD1-N 3.15Å; D108-T111 PolarHBondContact OD1-OG1 3.4Å; D108-T111 WeakPolarHBondContact OD2-CB 3.46Å; D108-T111 PolarHBondContact OD2-OG1 2.79Å; T111-N114 PolarHBondContact O-N 3.35Å; T111-I115 HydrophobicContact CG2-CD1 4.25Å; T111-I115 WeakPolarHBondContact O-CG1 3.48Å; T111-I115 PolarHBondContact O-N 3.45Å; T111-I115 VanDerWaalsContact O-N 3.16Å; T111-T129 HydrophobicContact CG2-CG2 3.97Å; T111-A130 HydrophobicContact CG2-CB 3.88Å; T111-L133 HydrophobicContact CG2-CD1 4.22Å
112	R	97.8	Very high	96.2	Very high	43 Å²	43	70.5 Å²	70.5	16%	0.162	38%	0.375	C	S	.	.	H	α-helix	trans	-63.5	-45.5	179.8	-166.8	-177.9	-52.2	-87.9	-2.5	112.4	V97 I105 I107 D108 C109 T110 N114 I115 T116	V97-R112 HydrophobicContact CG1-CG 3.99Å; V97-R112 WeakPolarHBondContact O-CD 3.33Å; V97-R112 WeakPolarHBondContact O-CG 3.31Å; V97-R112 PolarHBondContact O-NH1 3.07Å; I105-R112 PolarHBondContact O-NH2 3.34Å; I105-R112 VanDerWaalsContact O-NH2 3.07Å; I107-R112 HydrophobicContact CD1-CB 4.14Å; I107-R112 HydrophobicContact CG1-CB 4.41Å; I107-R112 PolarHBondContact O-NH2 3.34Å; D108-R112 PolarHBondContact O-N 3.01Å; D108-R112 VanDerWaalsContact O-N 3.12Å; C109-R112 PolarHBondContact O-N 2.93Å; T110-R112 VanDerWaalsContact C-N 3.35Å; T110-R112 PolarHBondContact O-N 3.35Å; R112-N114 VanDerWaalsContact C-N 3.33Å; R112-N114 PolarHBondContact O-N 3.29Å; R112-I115 PolarHBondContact O-N 2.97Å; R112-T116 WeakPolarHBondContact O-CB 3.42Å; R112-T116 PolarHBondContact O-N 3.28Å; R112-T116 PolarHBondContact O-OG1 2.89Å
113	E	96.9	Very high	96.2	Very high	97 Å²	97	68.6 Å²	68.6	45%	0.453	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-40.8	177.3	-77.1	179.8	-155.7	0	0	112.2	C109 T110 I115 T116 K117	C109-E113 WeakPolarHBondContact O-CB 3.49Å; C109-E113 WeakPolarHBondContact O-CG 3.4Å; C109-E113 PolarHBondContact O-N 3Å; T110-E113 PolarHBondContact O-N 3.15Å; E113-I115 VanDerWaalsContact C-N 3.35Å; E113-I115 PolarHBondContact O-N 3.47Å; E113-T116 PolarHBondContact O-N 3.3Å; E113-K117 VanDerWaalsContact O-CG 3.32Å; E113-K117 WeakPolarHBondContact O-CG 3.24Å; E113-K117 PolarHBondContact O-N 3.48Å; E113-K117 IonicContact OE2-NZ 3.82Å; E113-K117 PolarHBondContact OE2-NZ 3.38Å
114	N	96.9	Very high	96.3	Very high	80 Å²	80	68 Å²	68	43%	0.428	36%	0.364	S	S	.	.	H	α-helix	trans	-62.5	-41.9	178.1	-74.7	-24.8	0	0	0	111.8	T110 T111 R112 N118	T110-N114 WeakPolarHBondContact O-CB 3.47Å; T110-N114 PolarHBondContact O-N 2.99Å; T110-N114 PolarHBondContact O-ND2 3.08Å; T111-N114 PolarHBondContact O-N 3.35Å; R112-N114 VanDerWaalsContact C-N 3.33Å; R112-N114 PolarHBondContact O-N 3.29Å; N114-N118 PolarHBondContact O-N 3.19Å; N114-N118 PolarHBondContact O-ND2 3.25Å
115	I	97.6	Very high	96.3	Very high	9 Å²	9	68.2 Å²	68.2	5%	0.046	37%	0.371	C	S	.	.	H	α-helix	trans	-64.8	-46.6	174.4	-63.4	166.9	0	0	0	109.9	Y93 V97 I107 T111 R112 E113 K117 N118 I119 F127 A130	Y93-I115 HydrophobicContact CD2-CG2 3.93Å; Y93-I115 HydrophobicContact CE2-CG2 4.48Å; V97-I115 HydrophobicContact CG1-CB 4.1Å; V97-I115 HydrophobicContact CG1-CD1 4.02Å; V97-I115 HydrophobicContact CG1-CG2 3.95Å; V97-I115 HydrophobicContact CG2-CD1 4.32Å; I107-I115 HydrophobicContact CD1-CD1 4.34Å; T111-I115 HydrophobicContact CG2-CD1 4.25Å; T111-I115 WeakPolarHBondContact O-CG1 3.48Å; T111-I115 PolarHBondContact O-N 3.45Å; T111-I115 VanDerWaalsContact O-N 3.16Å; R112-I115 PolarHBondContact O-N 2.97Å; E113-I115 VanDerWaalsContact C-N 3.35Å; E113-I115 PolarHBondContact O-N 3.47Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 3.3Å; I115-N118 PolarHBondContact O-N 2.97Å; I115-N118 VanDerWaalsContact O-N 3.15Å; I115-I119 PolarHBondContact O-N 2.8Å; I115-F127 HydrophobicContact CD1-CD1 4.22Å; I115-F127 HydrophobicContact CG2-CD1 4.15Å; I115-F127 HydrophobicContact CG2-CE1 3.73Å; I115-A130 HydrophobicContact CD1-CB 3.74Å
116	T	97	Very high	96.2	Very high	57 Å²	57	69.4 Å²	69.4	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-57.2	-43.2	-178.9	-56.7	0	0	0	0	112.3	Y93 R112 E113 N118 I119	Y93-T116 WeakPolarHBondContact OH-CG2 3.47Å; Y93-T116 PolarHBondContact OH-OG1 3.44Å; R112-T116 WeakPolarHBondContact O-CB 3.42Å; R112-T116 PolarHBondContact O-N 3.28Å; R112-T116 PolarHBondContact O-OG1 2.89Å; E113-T116 PolarHBondContact O-N 3.3Å; T116-N118 VanDerWaalsContact C-N 3.32Å; T116-N118 PolarHBondContact O-N 3.48Å; T116-I119 WeakPolarHBondContact O-CG2 3.31Å
117	K	96.5	Very high	96.4	Very high	133 Å²	133	63 Å²	63	58%	0.578	35%	0.345	S	S	*	.	H	α-helix	trans	-66.9	-32	179.7	-73.4	167.4	-174.9	159.9	0	113.1	E113 I115	E113-K117 VanDerWaalsContact O-CG 3.32Å; E113-K117 WeakPolarHBondContact O-CG 3.24Å; E113-K117 PolarHBondContact O-N 3.48Å; E113-K117 IonicContact OE2-NZ 3.82Å; E113-K117 PolarHBondContact OE2-NZ 3.38Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 3.3Å
118	N	95	Very high	96.6	Very high	97 Å²	97	64.5 Å²	64.5	52%	0.519	35%	0.353	S	S	.	.	H	α-helix	trans	-99.3	-5.1	-173.8	-66.1	-60.2	0	0	0	113.6	N114 I115 T116 S120 Q121	N114-N118 PolarHBondContact O-N 3.19Å; N114-N118 PolarHBondContact O-ND2 3.25Å; I115-N118 PolarHBondContact O-N 2.97Å; I115-N118 VanDerWaalsContact O-N 3.15Å; T116-N118 VanDerWaalsContact C-N 3.32Å; T116-N118 PolarHBondContact O-N 3.48Å; N118-S120 PolarHBondContact O-N 3.3Å; N118-S120 VanDerWaalsContact O-N 3.13Å; N118-Q121 CarbonylContact O-C 3.53Å; N118-Q121 PolarHBondContact O-N 3.14Å
119	I	96.2	Very high	96.7	Very high	21 Å²	21	65.4 Å²	65.4	11%	0.108	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.8	-173.2	-158.8	61.1	0	0	0	113.9	A89 Y93 I115 T116 Q121 P122 F127	A89-I119 HydrophobicContact CB-CD1 3.91Å; Y93-I119 HydrophobicContact CD1-CG1 4.24Å; Y93-I119 HydrophobicContact CD2-CD1 4.38Å; Y93-I119 HydrophobicContact CD2-CG1 4.22Å; Y93-I119 HydrophobicContact CG-CD1 4.11Å; Y93-I119 HydrophobicContact CG-CG1 3.84Å; I115-I119 PolarHBondContact O-N 2.8Å; T116-I119 WeakPolarHBondContact O-CG2 3.31Å; I119-Q121 VanDerWaalsContact C-N 3.27Å; I119-Q121 PolarHBondContact O-N 3.22Å; I119-P122 WeakPolarHBondContact O-CD 3.25Å; I119-F127 HydrophobicContact CD1-CZ 4.14Å
120	S	93.7	Very high	96.9	Very high	94 Å²	94	61.3 Å²	61.3	66%	0.657	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.5	174.2	55.4	0	0	0	0	113.5	N118	N118-S120 PolarHBondContact O-N 3.3Å; N118-S120 VanDerWaalsContact O-N 3.13Å
121	Q	95.3	Very high	97	Very high	166 Å²	166	57.8 Å²	57.8	78%	0.776	31%	0.311	S	S	*	.	S	Bend	trans	-139.8	70	178.5	-67.6	-172.7	52.6	0	0	109.3	N118 I119	N118-Q121 CarbonylContact O-C 3.53Å; N118-Q121 PolarHBondContact O-N 3.14Å; I119-Q121 VanDerWaalsContact C-N 3.27Å; I119-Q121 PolarHBondContact O-N 3.22Å
122	P	96.7	Very high	97	Very high	7 Å²	7	64 Å²	64	5%	0.045	34%	0.337	C	S	.	.			trans	-73.2	150.6	-172.8	32.9	-34.7	0	0	0	110.9	M85 I86 A89 I119 S126	M85-P122 WeakPolarHBondContact CE-O 3.47Å; I86-P122 HydrophobicContact CG1-CG 4.03Å; A89-P122 HydrophobicContact CB-CB 3.6Å; A89-P122 HydrophobicContact CB-CG 3.67Å; I119-P122 WeakPolarHBondContact O-CD 3.25Å; P122-S126 WeakPolarHBondContact CA-OG 3.39Å
123	T	97.2	Very high	97	Very high	72 Å²	72	65.3 Å²	65.3	44%	0.442	35%	0.347	S	S	.	.			trans	-112.3	168.6	169.3	68.3	0	0	0	0	110.4	Y76 T125 S126	Y76-T123 VanDerWaalsContact CE1-O 3.26Å; Y76-T123 WeakPolarHBondContact CE1-O 3.5Å; Y76-T123 PolarHBondContact OH-O 3.19Å; T123-T125 PolarHBondContact O-N 3.37Å; T123-T125 VanDerWaalsContact O-N 3.1Å; T123-T125 PolarHBondContact OG1-N 3.2Å; T123-T125 PolarHBondContact OG1-OG1 3.39Å; T123-T125 VanDerWaalsContact OG1-OG1 3.05Å; T123-S126 PolarHBondContact N-OG 3.02Å; T123-S126 WeakPolarHBondContact O-CB 3.43Å; T123-S126 PolarHBondContact O-N 3.28Å; T123-S126 VanDerWaalsContact O-N 3.09Å; T123-S126 PolarHBondContact O-OG 3.03Å; T123-S126 PolarHBondContact OG1-N 2.69Å
124	L	96.4	Very high	97.1	Very high	75 Å²	75	60.7 Å²	60.7	39%	0.393	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.2	174.5	-67.1	179.3	0	0	0	113.8	M85	M85-L124 HydrophobicContact CG-CD2 4.46Å; M85-L124 HydrophobicContact SD-CD2 4.08Å; M85-L124 HydrophobicContact SD-CG 4.31Å
125	T	97.3	Very high	97.1	Very high	86 Å²	86	59.8 Å²	59.8	53%	0.528	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.1	179.7	58.7	0	0	0	0	113.4	T123 F127 D128	T123-T125 PolarHBondContact O-N 3.37Å; T123-T125 VanDerWaalsContact O-N 3.1Å; T123-T125 PolarHBondContact OG1-N 3.2Å; T123-T125 PolarHBondContact OG1-OG1 3.39Å; T123-T125 VanDerWaalsContact OG1-OG1 3.05Å; T125-F127 PolarHBondContact O-N 3.24Å; T125-D128 WeakPolarHBondContact CB-OD2 3.47Å; T125-D128 WeakPolarHBondContact CG2-OD2 3.07Å; T125-D128 WeakPolarHBondContact O-CB 3.39Å; T125-D128 PolarHBondContact O-N 2.89Å; T125-D128 VanDerWaalsContact O-N 3.08Å
126	S	97.2	Very high	97.2	Very high	24 Å²	24	62 Å²	62	17%	0.168	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-30.8	-174.6	-60.3	0	0	0	0	113.8	P122 T123	P122-S126 WeakPolarHBondContact CA-OG 3.39Å; T123-S126 PolarHBondContact N-OG 3.02Å; T123-S126 WeakPolarHBondContact O-CB 3.43Å; T123-S126 PolarHBondContact O-N 3.28Å; T123-S126 VanDerWaalsContact O-N 3.09Å; T123-S126 PolarHBondContact O-OG 3.03Å; T123-S126 PolarHBondContact OG1-N 2.69Å
127	F	98.4	Very high	97.1	Very high	3 Å²	3	62.3 Å²	62.3	1%	0.013	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	1.4	-176.1	-56.5	-71.1	0	0	0	113.7	F69 Y76 A89 I92 V97 I115 I119 T125 T129 A130 Q131	F69-F127 HydrophobicContact CE2-CD1 4.34Å; F69-F127 HydrophobicContact CZ-CB 4.29Å; F69-F127 HydrophobicContact CZ-CD1 4.45Å; Y76-F127 AromaticContact CD1-CD2 3.79Å; Y76-F127 HydrophobicContact CD1-CD2 3.79Å; Y76-F127 HydrophobicContact CD1-CE2 4.18Å; Y76-F127 HydrophobicContact CD2-CE2 4.26Å; Y76-F127 AromaticContact CE1-CD2 3.78Å; Y76-F127 HydrophobicContact CE1-CD2 3.78Å; Y76-F127 AromaticContact CE1-CE2 3.97Å; Y76-F127 HydrophobicContact CE1-CE2 3.97Å; Y76-F127 HydrophobicContact CE2-CE2 4.09Å; Y76-F127 HydrophobicContact CG-CD2 4.22Å; Y76-F127 HydrophobicContact CG-CE2 4.31Å; Y76-F127 AromaticContact CZ-CE2 3.94Å; A89-F127 HydrophobicContact CB-CE2 4.06Å; A89-F127 HydrophobicContact CB-CZ 4.11Å; I92-F127 HydrophobicContact CB-CE1 4.31Å; I92-F127 HydrophobicContact CB-CE2 4.16Å; I92-F127 HydrophobicContact CB-CZ 3.87Å; I92-F127 HydrophobicContact CD1-CD2 4.39Å; I92-F127 HydrophobicContact CD1-CE2 4.07Å; I92-F127 HydrophobicContact CG2-CD1 4.01Å; I92-F127 HydrophobicContact CG2-CD2 4.33Å; I92-F127 HydrophobicContact CG2-CE1 3.69Å; I92-F127 HydrophobicContact CG2-CE2 4.05Å; I92-F127 HydrophobicContact CG2-CG 4.32Å; I92-F127 HydrophobicContact CG2-CZ 3.72Å; V97-F127 HydrophobicContact CG2-CE1 4.33Å; I115-F127 HydrophobicContact CD1-CD1 4.22Å; I115-F127 HydrophobicContact CG2-CD1 4.15Å; I115-F127 HydrophobicContact CG2-CE1 3.73Å; I119-F127 HydrophobicContact CD1-CZ 4.14Å; T125-F127 PolarHBondContact O-N 3.24Å; F127-T129 VanDerWaalsContact C-N 3.34Å; F127-T129 PolarHBondContact O-N 3.19Å; F127-A130 PolarHBondContact O-N 3.35Å; F127-Q131 VanDerWaalsContact O-CB 3.31Å; F127-Q131 WeakPolarHBondContact O-CB 3.49Å; F127-Q131 PolarHBondContact O-N 3.49Å
128	D	98.3	Very high	97.2	Very high	42 Å²	42	56 Å²	56	23%	0.225	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-43	-170.7	-80.1	-2.7	0	0	0	113	K77 T125 Q131 K132	K77-D128 WeakPolarHBondContact CE-OD1 3.29Å; T125-D128 WeakPolarHBondContact CB-OD2 3.47Å; T125-D128 WeakPolarHBondContact CG2-OD2 3.07Å; T125-D128 WeakPolarHBondContact O-CB 3.39Å; T125-D128 PolarHBondContact O-N 2.89Å; T125-D128 VanDerWaalsContact O-N 3.08Å; D128-Q131 PolarHBondContact O-N 3.41Å; D128-K132 WeakPolarHBondContact O-CB 3.28Å; D128-K132 VanDerWaalsContact O-CG 3.24Å; D128-K132 WeakPolarHBondContact O-CG 3.46Å; D128-K132 PolarHBondContact O-N 3.13Å
129	T	98.1	Very high	97.3	Very high	88 Å²	88	52.7 Å²	52.7	54%	0.54	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-50	178.9	-57.2	0	0	0	0	111	T111 F127 Q131 K132 L133	T111-T129 HydrophobicContact CG2-CG2 3.97Å; F127-T129 VanDerWaalsContact C-N 3.34Å; F127-T129 PolarHBondContact O-N 3.19Å; T129-Q131 VanDerWaalsContact C-N 3.33Å; T129-Q131 PolarHBondContact O-N 3.15Å; T129-K132 PolarHBondContact O-N 3.21Å; T129-L133 WeakPolarHBondContact O-CG 3.36Å; T129-L133 PolarHBondContact O-N 3.09Å; T129-L133 VanDerWaalsContact O-N 3.1Å
130	A	98.3	Very high	97.4	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-41.2	177.8	0	0	0	0	0	111.6	F69 I105 I107 T111 I115 F127 K132 L133 V134	F69-A130 HydrophobicContact CE1-CB 3.97Å; F69-A130 HydrophobicContact CZ-CB 3.72Å; I105-A130 HydrophobicContact CD1-CB 4.3Å; I107-A130 HydrophobicContact CD1-CB 4.15Å; I107-A130 HydrophobicContact CG2-CB 4.33Å; T111-A130 HydrophobicContact CG2-CB 3.88Å; I115-A130 HydrophobicContact CD1-CB 3.74Å; F127-A130 PolarHBondContact O-N 3.35Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 3.22Å; A130-L133 PolarHBondContact O-N 3.48Å; A130-V134 WeakPolarHBondContact O-CG2 3.45Å; A130-V134 PolarHBondContact O-N 2.9Å
131	Q	98.5	Very high	97.5	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-40.2	178.4	-167.4	-171.7	14.1	0	0	111.8	F69 W70 C73 E74 F127 D128 T129 V134 Y135	F69-Q131 HydrophobicContact CE1-CB 4.33Å; W70-Q131 HydrophobicContact CG-CG 4.31Å; W70-Q131 PolarHBondContact O-NE2 2.9Å; C73-Q131 HydrophobicContact CB-CB 4.23Å; C73-Q131 HydrophobicContact CB-CG 3.78Å; E74-Q131 PolarHBondContact OE1-NE2 3.29Å; F127-Q131 VanDerWaalsContact O-CB 3.31Å; F127-Q131 WeakPolarHBondContact O-CB 3.49Å; F127-Q131 PolarHBondContact O-N 3.49Å; D128-Q131 PolarHBondContact O-N 3.41Å; T129-Q131 VanDerWaalsContact C-N 3.33Å; T129-Q131 PolarHBondContact O-N 3.15Å; Q131-V134 PolarHBondContact O-N 3.35Å; Q131-Y135 VanDerWaalsContact O-CB 3.25Å; Q131-Y135 WeakPolarHBondContact O-CB 3.37Å; Q131-Y135 PolarHBondContact O-N 2.98Å
132	K	98.2	Very high	97.6	Very high	141 Å²	141	53.5 Å²	53.5	61%	0.613	28%	0.277	S	S	*	.	H	α-helix	trans	-63.6	-39.8	174.3	-75.2	169.9	-175.8	175.1	0	112.4	D128 T129 A130 S136	D128-K132 WeakPolarHBondContact O-CB 3.28Å; D128-K132 VanDerWaalsContact O-CG 3.24Å; D128-K132 WeakPolarHBondContact O-CG 3.46Å; D128-K132 PolarHBondContact O-N 3.13Å; T129-K132 PolarHBondContact O-N 3.21Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 3.22Å; K132-S136 WeakPolarHBondContact O-CB 3.49Å; K132-S136 PolarHBondContact O-N 3.44Å; K132-S136 PolarHBondContact O-OG 2.85Å
133	L	98.1	Very high	97.6	Very high	71 Å²	71	54.2 Å²	54.2	37%	0.372	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-48.7	176.5	-69.1	173.8	0	0	0	111.2	I107 D108 T111 T129 A130 S136 L137	I107-L133 HydrophobicContact CB-CD1 4.42Å; I107-L133 HydrophobicContact CG2-CB 4.42Å; I107-L133 HydrophobicContact CG2-CD1 4.26Å; D108-L133 WeakPolarHBondContact OD2-CD1 3.28Å; T111-L133 HydrophobicContact CG2-CD1 4.22Å; T129-L133 WeakPolarHBondContact O-CG 3.36Å; T129-L133 PolarHBondContact O-N 3.09Å; T129-L133 VanDerWaalsContact O-N 3.1Å; A130-L133 PolarHBondContact O-N 3.48Å; L133-S136 WeakPolarHBondContact O-CB 3.29Å; L133-S136 PolarHBondContact O-N 3.28Å; L133-L137 PolarHBondContact O-N 3.28Å
134	V	98.1	Very high	97.6	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-41.2	178.9	174.2	0	0	0	0	111.5	N66 F69 I105 I107 A130 Q131 S136 L137 M138	N66-V134 HydrophobicContact CB-CG1 3.74Å; N66-V134 VanDerWaalsContact O-CG1 3.24Å; N66-V134 WeakPolarHBondContact O-CG1 3.11Å; F69-V134 HydrophobicContact CD1-CB 4.09Å; F69-V134 HydrophobicContact CD1-CG1 4.22Å; F69-V134 HydrophobicContact CD1-CG2 3.77Å; F69-V134 HydrophobicContact CE1-CB 4.44Å; F69-V134 HydrophobicContact CE1-CG2 4.01Å; I105-V134 HydrophobicContact CB-CG2 4.23Å; I105-V134 HydrophobicContact CD1-CG2 3.86Å; I105-V134 HydrophobicContact CG2-CG2 4.39Å; I107-V134 HydrophobicContact CG2-CG2 4.3Å; A130-V134 WeakPolarHBondContact O-CG2 3.45Å; A130-V134 PolarHBondContact O-N 2.9Å; Q131-V134 PolarHBondContact O-N 3.35Å; V134-S136 VanDerWaalsContact C-N 3.33Å; V134-S136 PolarHBondContact O-N 3.25Å; V134-L137 WeakPolarHBondContact O-CB 3.38Å; V134-L137 PolarHBondContact O-N 2.9Å; V134-M138 HydrophobicContact CG1-CE 4.2Å; V134-M138 WeakPolarHBondContact O-CG 3.3Å; V134-M138 PolarHBondContact O-N 3.17Å
135	Y	98.3	Very high	97.7	Very high	61 Å²	61	54 Å²	54	24%	0.239	27%	0.272	C	S	.	.	H	α-helix	trans	-57.3	-48	171.6	176	-87.4	0	0	0	111.3	V41 D42 L45 W70 Q131 L137 M138 A139	V41-Y135 HydrophobicContact CG1-CE1 4.26Å; V41-Y135 HydrophobicContact CG1-CE2 3.6Å; V41-Y135 VanDerWaalsContact CG1-CZ 3.44Å; V41-Y135 VanDerWaalsContact CG1-OH 3.25Å; V41-Y135 WeakPolarHBondContact CG1-OH 3.32Å; D42-Y135 VanDerWaalsContact OD1-CE2 3.25Å; D42-Y135 WeakPolarHBondContact OD1-CE2 3.24Å; D42-Y135 PolarHBondContact OD1-OH 2.67Å; D42-Y135 PolarHBondContact OD2-OH 2.8Å; L45-Y135 HydrophobicContact CD1-CD2 3.95Å; L45-Y135 HydrophobicContact CD1-CE2 3.96Å; W70-Y135 AromaticContact NE1-CD2 3.66Å; Q131-Y135 VanDerWaalsContact O-CB 3.25Å; Q131-Y135 WeakPolarHBondContact O-CB 3.37Å; Q131-Y135 PolarHBondContact O-N 2.98Å; Y135-L137 VanDerWaalsContact C-N 3.32Å; Y135-L137 PolarHBondContact O-N 3.49Å; Y135-M138 PolarHBondContact O-N 3.34Å; Y135-A139 HydrophobicContact CE1-CB 4.25Å; Y135-A139 VanDerWaalsContact O-CB 3.28Å; Y135-A139 WeakPolarHBondContact O-CB 3.46Å; Y135-A139 PolarHBondContact O-N 3.23Å
136	S	97.7	Very high	97.7	Very high	56 Å²	56	49.9 Å²	49.9	39%	0.392	25%	0.247	S	C	.	.	H	α-helix	trans	-63.8	-37.8	-179.5	-60.3	0	0	0	0	112.3	K132 L133 V134 R140	K132-S136 WeakPolarHBondContact O-CB 3.49Å; K132-S136 PolarHBondContact O-N 3.44Å; K132-S136 PolarHBondContact O-OG 2.85Å; L133-S136 WeakPolarHBondContact O-CB 3.29Å; L133-S136 PolarHBondContact O-N 3.28Å; V134-S136 VanDerWaalsContact C-N 3.33Å; V134-S136 PolarHBondContact O-N 3.25Å; S136-R140 VanDerWaalsContact O-CB 3.26Å; S136-R140 WeakPolarHBondContact O-CB 3.38Å; S136-R140 WeakPolarHBondContact O-CG 3.11Å; S136-R140 PolarHBondContact O-N 3.38Å
137	L	96.9	Very high	97.7	Very high	63 Å²	63	50.4 Å²	50.4	33%	0.33	25%	0.248	S	C	.	.	H	α-helix	trans	-60.3	-53.5	172.9	176	65.6	0	0	0	110.5	L133 V134 Y135 A139 R140 D141	L133-L137 PolarHBondContact O-N 3.28Å; V134-L137 WeakPolarHBondContact O-CB 3.38Å; V134-L137 PolarHBondContact O-N 2.9Å; Y135-L137 VanDerWaalsContact C-N 3.32Å; Y135-L137 PolarHBondContact O-N 3.49Å; L137-A139 VanDerWaalsContact C-N 3.34Å; L137-A139 PolarHBondContact O-N 2.85Å; L137-R140 PolarHBondContact O-N 3.02Å; L137-D141 HydrophobicContact CD1-CB 4.45Å; L137-D141 WeakPolarHBondContact O-CB 3.39Å; L137-D141 PolarHBondContact O-N 3.02Å
138	M	97.4	Very high	97.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-59.6	-44.6	178.8	-70.7	-170.8	-61.3	0	0	111.8	L45 F54 L58 N66 I67 W70 V134 Y135 R140 C142 Y143	L45-M138 HydrophobicContact CD1-CE 4.42Å; F54-M138 HydrophobicContact CE1-CB 4.22Å; F54-M138 HydrophobicContact CE1-CG 4.36Å; F54-M138 HydrophobicContact CE1-SD 3.85Å; F54-M138 HydrophobicContact CZ-CB 4.18Å; F54-M138 HydrophobicContact CZ-CG 4.5Å; L58-M138 HydrophobicContact CD1-SD 4.22Å; N66-M138 HydrophobicContact CB-CG 3.85Å; N66-M138 HydrophobicContact CB-SD 3.88Å; I67-M138 HydrophobicContact CB-SD 4Å; W70-M138 HydrophobicContact CB-CE 3.78Å; W70-M138 HydrophobicContact CG-CE 3.9Å; V134-M138 HydrophobicContact CG1-CE 4.2Å; V134-M138 WeakPolarHBondContact O-CG 3.3Å; V134-M138 PolarHBondContact O-N 3.17Å; Y135-M138 PolarHBondContact O-N 3.34Å; M138-R140 PolarHBondContact O-N 3.08Å; M138-C142 PolarHBondContact O-N 3.09Å; M138-Y143 VanDerWaalsContact O-CB 3.23Å; M138-Y143 WeakPolarHBondContact O-CB 3.4Å; M138-Y143 PolarHBondContact O-N 3.44Å
139	A	97.6	Very high	97.6	Very high	28 Å²	28	57.3 Å²	57.3	23%	0.231	28%	0.278	C	S	.	.	I	π-helix	trans	-65.1	-38.6	-178.1	0	0	0	0	0	112.9	V41 Y135 L137 P144	V41-A139 HydrophobicContact CG1-CB 3.91Å; Y135-A139 HydrophobicContact CE1-CB 4.25Å; Y135-A139 VanDerWaalsContact O-CB 3.28Å; Y135-A139 WeakPolarHBondContact O-CB 3.46Å; Y135-A139 PolarHBondContact O-N 3.23Å; L137-A139 VanDerWaalsContact C-N 3.34Å; L137-A139 PolarHBondContact O-N 2.85Å; A139-P144 WeakPolarHBondContact O-CD 3.24Å
140	R	97.1	Very high	97.4	Very high	215 Å²	215	59.8 Å²	59.8	81%	0.811	29%	0.288	S	S	*	.	I	π-helix	trans	-88.2	-30.3	-174.3	-68.5	176.2	63.7	-179.7	-1.2	113.7	S136 L137 M138	S136-R140 VanDerWaalsContact O-CB 3.26Å; S136-R140 WeakPolarHBondContact O-CB 3.38Å; S136-R140 WeakPolarHBondContact O-CG 3.11Å; S136-R140 PolarHBondContact O-N 3.38Å; L137-R140 PolarHBondContact O-N 3.02Å; M138-R140 PolarHBondContact O-N 3.08Å
141	D	95.9	Very high	97.2	Very high	79 Å²	79	62.7 Å²	62.7	42%	0.422	30%	0.303	S	S	.	.	I	π-helix	trans	-116.6	-55.6	-171.4	-174.8	67.1	0	0	0	112.8	L137 R145	L137-D141 HydrophobicContact CD1-CB 4.45Å; L137-D141 WeakPolarHBondContact O-CB 3.39Å; L137-D141 PolarHBondContact O-N 3.02Å; D141-R145 PolarHBondContact O-NE 3.34Å; D141-R145 IonicContact OD1-NE 3.87Å; D141-R145 IonicContact OD2-CZ 3.49Å; D141-R145 IonicContact OD2-NE 3.63Å; D141-R145 IonicContact OD2-NH2 2.7Å; D141-R145 PolarHBondContact OD2-NH2 2.84Å
142	C	97.1	Very high	97	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.02	30%	0.302	C	S	.	.	I	π-helix	trans	-74	-44.1	-174.3	-52.5	0	0	0	0	112.6	F54 F57 L58 M138 R145 F146	F54-C142 HydrophobicContact CE2-CB 4.03Å; F54-C142 HydrophobicContact CZ-CB 3.79Å; F57-C142 HydrophobicContact CE1-CB 4.41Å; F57-C142 VanDerWaalsContact CE1-O 3.27Å; F57-C142 WeakPolarHBondContact CE1-O 3.26Å; L58-C142 HydrophobicContact CD2-CB 3.5Å; L58-C142 VanDerWaalsContact CD2-SG 3.56Å; M138-C142 PolarHBondContact O-N 3.09Å; C142-R145 PolarHBondContact O-N 2.76Å; C142-F146 WeakPolarHBondContact O-CB 3Å; C142-F146 PolarHBondContact O-N 3.48Å
143	Y	98	Very high	96.8	Very high	22 Å²	22	59.1 Å²	59.1	9%	0.086	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-45.5	-173.2	171.5	-108.8	0	0	0	113.3	W37 S38 S40 V41 V44 M138 R145 F146 L147	W37-Y143 WeakPolarHBondContact O-CE2 3.33Å; W37-Y143 PolarHBondContact O-OH 2.87Å; S38-Y143 WeakPolarHBondContact CA-OH 3.22Å; S38-Y143 PolarHBondContact O-OH 3.09Å; S40-Y143 VanDerWaalsContact C-CZ 3.45Å; S40-Y143 WeakPolarHBondContact CA-OH 3.48Å; S40-Y143 PolarHBondContact N-OH 2.77Å; S40-Y143 PolarHBondContact O-OH 2.77Å; V41-Y143 HydrophobicContact CB-CD1 4.19Å; V41-Y143 HydrophobicContact CB-CD2 4.02Å; V41-Y143 HydrophobicContact CB-CE2 4.37Å; V41-Y143 HydrophobicContact CB-CG 3.92Å; V41-Y143 HydrophobicContact CG2-CD2 4.1Å; V41-Y143 HydrophobicContact CG2-CG 4.12Å; V44-Y143 HydrophobicContact CG2-CD2 4.23Å; V44-Y143 HydrophobicContact CG2-CE2 3.72Å; M138-Y143 VanDerWaalsContact O-CB 3.23Å; M138-Y143 WeakPolarHBondContact O-CB 3.4Å; M138-Y143 PolarHBondContact O-N 3.44Å; Y143-R145 PolarHBondContact O-N 3.31Å; Y143-F146 HydrophobicContact CD2-CD1 4.28Å; Y143-F146 WeakPolarHBondContact O-CB 3.19Å; Y143-F146 PolarHBondContact O-N 3.36Å; Y143-L147 HydrophobicContact CD2-CG 4.41Å; Y143-L147 HydrophobicContact CE1-CD1 3.9Å; Y143-L147 HydrophobicContact CE2-CD1 4.15Å; Y143-L147 HydrophobicContact CE2-CD2 3.87Å; Y143-L147 HydrophobicContact CE2-CG 3.99Å; Y143-L147 WeakPolarHBondContact O-CG 3.35Å; Y143-L147 PolarHBondContact O-N 3.44Å
144	P	97.9	Very high	96.5	Very high	52 Å²	52	56.5 Å²	56.5	34%	0.338	28%	0.278	S	S	.	.	H	α-helix	trans	-60.5	-30.5	174.6	-25.1	35.6	0	0	0	113.6	A139	A139-P144 WeakPolarHBondContact O-CD 3.24Å
145	R	97.9	Very high	96.2	Very high	90 Å²	90	58 Å²	58	34%	0.34	29%	0.286	S	S	.	.	H	α-helix	trans	-79.1	-38.5	176.5	-66.1	-175.8	-67.1	121	1.7	111.5	F57 E61 D141 C142 Y143 L147 K148 S149	F57-R145 HydrophobicContact CE1-CB 4.44Å; F57-R145 HydrophobicContact CE2-CB 4.47Å; F57-R145 HydrophobicContact CZ-CB 3.66Å; E61-R145 IonicContact OE1-CZ 3.81Å; E61-R145 IonicContact OE1-NH1 2.71Å; E61-R145 PolarHBondContact OE1-NH1 3.44Å; E61-R145 IonicContact OE2-CZ 3.26Å; E61-R145 VanDerWaalsContact OE2-CZ 3.26Å; E61-R145 IonicContact OE2-NH1 2.62Å; E61-R145 PolarHBondContact OE2-NH1 3.28Å; E61-R145 IonicContact OE2-NH2 3.28Å; E61-R145 PolarHBondContact OE2-NH2 2.82Å; D141-R145 PolarHBondContact O-NE 3.34Å; D141-R145 IonicContact OD1-NE 3.87Å; D141-R145 IonicContact OD2-CZ 3.49Å; D141-R145 IonicContact OD2-NE 3.63Å; D141-R145 IonicContact OD2-NH2 2.7Å; D141-R145 PolarHBondContact OD2-NH2 2.84Å; C142-R145 PolarHBondContact O-N 2.76Å; Y143-R145 PolarHBondContact O-N 3.31Å; R145-L147 VanDerWaalsContact C-N 3.31Å; R145-L147 PolarHBondContact O-N 2.73Å; R145-K148 CarbonylContact O-C 3.32Å; R145-K148 PolarHBondContact O-N 2.83Å; R145-S149 PolarHBondContact O-N 3.36Å
146	F	97.8	Very high	95.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-54.5	-46.8	171.4	168.7	-112.1	0	0	0	111.7	W37 V44 A53 F54 F57 C142 Y143 K148 S149 I151 Y152	W37-F146 HydrophobicContact CE3-CE1 4.26Å; W37-F146 HydrophobicContact CE3-CZ 4.07Å; W37-F146 HydrophobicContact CZ3-CZ 4.26Å; V44-F146 HydrophobicContact CG1-CE1 4.34Å; V44-F146 HydrophobicContact CG2-CE1 4Å; A53-F146 HydrophobicContact CB-CE2 4.13Å; A53-F146 HydrophobicContact CB-CZ 4.05Å; F54-F146 HydrophobicContact CB-CE2 4.4Å; F54-F146 HydrophobicContact CB-CZ 4.44Å; F54-F146 HydrophobicContact CD2-CB 3.71Å; F54-F146 AromaticContact CD2-CD1 3.94Å; F54-F146 HydrophobicContact CD2-CD1 3.94Å; F54-F146 AromaticContact CD2-CD2 3.84Å; F54-F146 HydrophobicContact CD2-CD2 3.84Å; F54-F146 HydrophobicContact CD2-CE2 4.44Å; F54-F146 AromaticContact CD2-CG 3.54Å; F54-F146 HydrophobicContact CD2-CG 3.54Å; F54-F146 HydrophobicContact CE2-CB 3.71Å; F54-F146 HydrophobicContact CE2-CD1 4.49Å; F54-F146 HydrophobicContact CE2-CG 4.06Å; F57-F146 HydrophobicContact CB-CD2 3.63Å; F57-F146 HydrophobicContact CB-CE2 4.26Å; F57-F146 HydrophobicContact CD1-CB 3.64Å; F57-F146 HydrophobicContact CD1-CD2 4.08Å; F57-F146 HydrophobicContact CD1-CG 4.31Å; F57-F146 HydrophobicContact CD2-CB 4.48Å; F57-F146 HydrophobicContact CD2-CD2 4.39Å; F57-F146 HydrophobicContact CE1-CB 3.77Å; F57-F146 HydrophobicContact CG-CB 4.02Å; F57-F146 AromaticContact CG-CD2 3.76Å; F57-F146 HydrophobicContact CG-CD2 3.76Å; F57-F146 HydrophobicContact CG-CG 4.38Å; F57-F146 HydrophobicContact CZ-CB 4.26Å; F57-F146 VanDerWaalsContact CZ-N 3.34Å; C142-F146 WeakPolarHBondContact O-CB 3Å; C142-F146 PolarHBondContact O-N 3.48Å; Y143-F146 HydrophobicContact CD2-CD1 4.28Å; Y143-F146 WeakPolarHBondContact O-CB 3.19Å; Y143-F146 PolarHBondContact O-N 3.36Å; F146-K148 PolarHBondContact O-N 3.46Å; F146-K148 VanDerWaalsContact O-N 3.15Å; F146-S149 VanDerWaalsContact O-CB 3.3Å; F146-S149 WeakPolarHBondContact O-CB 3.35Å; F146-S149 PolarHBondContact O-N 2.99Å; F146-S149 PolarHBondContact O-OG 3.16Å; F146-I151 HydrophobicContact CE2-CG2 4.38Å; F146-Y152 AromaticContact CE1-CD2 3.9Å; F146-Y152 HydrophobicContact CE1-CD2 3.9Å; F146-Y152 HydrophobicContact CE1-CG 4.25Å; F146-Y152 AromaticContact CZ-CD2 3.9Å; F146-Y152 HydrophobicContact CZ-CD2 3.9Å; F146-Y152 HydrophobicContact CZ-CG 4.28Å; F146-Y152 VanDerWaalsContact O-CB 3.24Å; F146-Y152 WeakPolarHBondContact O-CB 3.26Å
147	L	97	Very high	95.3	Very high	35 Å²	35	60.2 Å²	60.2	18%	0.183	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.1	178.1	-64.8	-177.8	0	0	0	113.5	Y143 R145 Y152 Q153	Y143-L147 HydrophobicContact CD2-CG 4.41Å; Y143-L147 HydrophobicContact CE1-CD1 3.9Å; Y143-L147 HydrophobicContact CE2-CD1 4.15Å; Y143-L147 HydrophobicContact CE2-CD2 3.87Å; Y143-L147 HydrophobicContact CE2-CG 3.99Å; Y143-L147 WeakPolarHBondContact O-CG 3.35Å; Y143-L147 PolarHBondContact O-N 3.44Å; R145-L147 VanDerWaalsContact C-N 3.31Å; R145-L147 PolarHBondContact O-N 2.73Å; L147-Y152 HydrophobicContact CB-CD1 4.36Å; L147-Y152 HydrophobicContact CB-CE1 4.47Å; L147-Y152 HydrophobicContact CD2-CD1 3.98Å; L147-Y152 HydrophobicContact CD2-CE1 3.64Å; L147-Y152 HydrophobicContact CD2-CE2 4.34Å; L147-Y152 HydrophobicContact CD2-CG 4.41Å; L147-Y152 VanDerWaalsContact O-CD1 3.31Å; L147-Y152 WeakPolarHBondContact O-CD1 3.36Å; L147-Q153 PolarHBondContact O-NE2 2.82Å
148	K	96.4	Very high	94.8	Very high	172 Å²	172	63.7 Å²	63.7	75%	0.748	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-8.2	176.3	-63.8	175.4	-175.3	178.2	0	113	R145 F146	R145-K148 CarbonylContact O-C 3.32Å; R145-K148 PolarHBondContact O-N 2.83Å; F146-K148 PolarHBondContact O-N 3.46Å; F146-K148 VanDerWaalsContact O-N 3.15Å
149	S	96.8	Very high	94.1	Very high	18 Å²	18	64.5 Å²	64.5	13%	0.126	31%	0.307	C	S	.	.	S	Bend	trans	-72.9	152.5	-175	74	0	0	0	0	112.3	R145 F146 I151 Y152 Q153	R145-S149 PolarHBondContact O-N 3.36Å; F146-S149 VanDerWaalsContact O-CB 3.3Å; F146-S149 WeakPolarHBondContact O-CB 3.35Å; F146-S149 PolarHBondContact O-N 2.99Å; F146-S149 PolarHBondContact O-OG 3.16Å; S149-I151 PolarHBondContact O-N 3.08Å; S149-I151 VanDerWaalsContact O-N 3.16Å; S149-Y152 PolarHBondContact O-N 3.47Å; S149-Y152 PolarHBondContact OG-N 3.17Å; S149-Q153 WeakPolarHBondContact O-CB 3.43Å; S149-Q153 VanDerWaalsContact O-CG 3.27Å; S149-Q153 WeakPolarHBondContact O-CG 3.46Å; S149-Q153 PolarHBondContact O-N 2.68Å
150	D	94.8	Very high	92.9	Very high	141 Å²	141	68.2 Å²	68.2	75%	0.754	32%	0.322	S	S	*	.	H	α-helix	trans	-59.3	-26.5	173.7	-70.9	-36.9	0	0	0	112.9	G154	D150-G154 WeakPolarHBondContact O-CA 3.47Å; D150-G154 PolarHBondContact O-N 3.29Å
151	I	93.6	Very high	91.6	Very high	60 Å²	60	62.9 Å²	62.9	31%	0.308	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-57.3	176.4	-63.9	170.8	0	0	0	109.5	A53 E56 F57 F146 S149 G154 L155	A53-I151 HydrophobicContact CB-CG2 4.38Å; E56-I151 HydrophobicContact CB-CD1 4.4Å; F57-I151 HydrophobicContact CB-CD1 3.86Å; F146-I151 HydrophobicContact CE2-CG2 4.38Å; S149-I151 PolarHBondContact O-N 3.08Å; S149-I151 VanDerWaalsContact O-N 3.16Å; I151-G154 PolarHBondContact O-N 3.1Å; I151-L155 WeakPolarHBondContact O-CG 3.25Å; I151-L155 PolarHBondContact O-N 3.37Å; I151-L155 VanDerWaalsContact O-N 3.15Å
152	Y	94.1	Very high	89.8	Confident	6 Å²	6	68.5 Å²	68.5	2%	0.024	33%	0.334	C	S	.	.	H	α-helix	trans	-68.9	-44.8	-178.4	-179.9	-111.9	0	0	0	111.9	V34 W37 F146 L147 S149 G154 L155 L156	V34-Y152 HydrophobicContact CG1-CD2 4.22Å; V34-Y152 HydrophobicContact CG1-CE2 3.68Å; V34-Y152 WeakPolarHBondContact O-CE2 3.45Å; V34-Y152 PolarHBondContact O-OH 3.05Å; W37-Y152 HydrophobicContact CB-CE2 3.84Å; W37-Y152 HydrophobicContact CD2-CE2 4.4Å; W37-Y152 AromaticContact CE3-CD2 3.89Å; W37-Y152 HydrophobicContact CE3-CD2 3.89Å; W37-Y152 AromaticContact CE3-CE2 3.83Å; W37-Y152 HydrophobicContact CE3-CE2 3.83Å; W37-Y152 HydrophobicContact CG-CE2 4.48Å; W37-Y152 HydrophobicContact CZ3-CD2 4.48Å; F146-Y152 AromaticContact CE1-CD2 3.9Å; F146-Y152 HydrophobicContact CE1-CD2 3.9Å; F146-Y152 HydrophobicContact CE1-CG 4.25Å; F146-Y152 AromaticContact CZ-CD2 3.9Å; F146-Y152 HydrophobicContact CZ-CD2 3.9Å; F146-Y152 HydrophobicContact CZ-CG 4.28Å; F146-Y152 VanDerWaalsContact O-CB 3.24Å; F146-Y152 WeakPolarHBondContact O-CB 3.26Å; L147-Y152 HydrophobicContact CB-CD1 4.36Å; L147-Y152 HydrophobicContact CB-CE1 4.47Å; L147-Y152 HydrophobicContact CD2-CD1 3.98Å; L147-Y152 HydrophobicContact CD2-CE1 3.64Å; L147-Y152 HydrophobicContact CD2-CE2 4.34Å; L147-Y152 HydrophobicContact CD2-CG 4.41Å; L147-Y152 VanDerWaalsContact O-CD1 3.31Å; L147-Y152 WeakPolarHBondContact O-CD1 3.36Å; S149-Y152 PolarHBondContact O-N 3.47Å; S149-Y152 PolarHBondContact OG-N 3.17Å; Y152-G154 VanDerWaalsContact C-N 3.25Å; Y152-G154 PolarHBondContact O-N 3.35Å; Y152-L155 WeakPolarHBondContact O-CB 3.46Å; Y152-L155 PolarHBondContact O-N 3.32Å; Y152-L156 HydrophobicContact CD1-CD1 3.87Å; Y152-L156 HydrophobicContact CD1-CG 4.39Å; Y152-L156 HydrophobicContact CE1-CD1 3.33Å; Y152-L156 HydrophobicContact CE1-CG 3.95Å; Y152-L156 HydrophobicContact CE2-CG 4.26Å; Y152-L156 PolarHBondContact O-N 2.82Å
153	Q	94.8	Very high	89.4	Confident	69 Å²	69	71.8 Å²	71.8	32%	0.322	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-35.3	178.3	-65.6	-62.4	-38.3	0	0	111.9	L147 S149 R157	L147-Q153 PolarHBondContact O-NE2 2.82Å; S149-Q153 WeakPolarHBondContact O-CB 3.43Å; S149-Q153 VanDerWaalsContact O-CG 3.27Å; S149-Q153 WeakPolarHBondContact O-CG 3.46Å; S149-Q153 PolarHBondContact O-N 2.68Å; Q153-R157 WeakPolarHBondContact O-CG 3.15Å; Q153-R157 PolarHBondContact O-N 3.35Å; Q153-R157 PolarHBondContact O-NH1 3.37Å
154	G	91.9	Very high	88.9	Confident	15 Å²	15	74.4 Å²	74.4	16%	0.155	36%	0.363	C	S	.	.	H	α-helix	trans	-68.4	-32	173.4	0	0	0	0	0	113.7	D150 I151 Y152 K158	D150-G154 WeakPolarHBondContact O-CA 3.47Å; D150-G154 PolarHBondContact O-N 3.29Å; I151-G154 PolarHBondContact O-N 3.1Å; Y152-G154 VanDerWaalsContact C-N 3.25Å; Y152-G154 PolarHBondContact O-N 3.35Å; G154-K158 VanDerWaalsContact O-CG 3.29Å; G154-K158 WeakPolarHBondContact O-CG 3.49Å; G154-K158 PolarHBondContact O-N 3.34Å
155	L	90.9	Very high	88.4	Confident	32 Å²	32	75.7 Å²	75.7	17%	0.168	36%	0.364	C	S	.	.	H	α-helix	trans	-72.8	-42.4	174.4	-69.2	170.9	0	0	0	111.7	L31 V34 W37 A53 I151 Y152 K158 A159	L31-L155 HydrophobicContact CD1-CD2 4.18Å; L31-L155 HydrophobicContact CD2-CD2 3.96Å; V34-L155 HydrophobicContact CG1-CB 4Å; W37-L155 HydrophobicContact CH2-CD1 4.25Å; W37-L155 HydrophobicContact CZ3-CD1 3.82Å; A53-L155 HydrophobicContact CB-CD1 3.66Å; I151-L155 WeakPolarHBondContact O-CG 3.25Å; I151-L155 PolarHBondContact O-N 3.37Å; I151-L155 VanDerWaalsContact O-N 3.15Å; Y152-L155 WeakPolarHBondContact O-CB 3.46Å; Y152-L155 PolarHBondContact O-N 3.32Å; L155-K158 PolarHBondContact O-N 3.48Å; L155-A159 PolarHBondContact O-N 3.49Å
156	L	89.2	Confident	87.9	Confident	29 Å²	29	74.8 Å²	74.8	15%	0.152	37%	0.366	C	S	.	.	H	α-helix	trans	-57.2	-51.6	175	-77.8	174.3	0	0	0	111.7	V34 E35 Y152 K158 A159 D160	V34-L156 HydrophobicContact CG1-CD2 3.77Å; V34-L156 HydrophobicContact CG1-CG 4.05Å; E35-L156 HydrophobicContact CG-CD2 4.09Å; Y152-L156 HydrophobicContact CD1-CD1 3.87Å; Y152-L156 HydrophobicContact CD1-CG 4.39Å; Y152-L156 HydrophobicContact CE1-CD1 3.33Å; Y152-L156 HydrophobicContact CE1-CG 3.95Å; Y152-L156 HydrophobicContact CE2-CG 4.26Å; Y152-L156 PolarHBondContact O-N 2.82Å; L156-K158 PolarHBondContact O-N 2.95Å; L156-K158 VanDerWaalsContact O-N 3.13Å; L156-A159 WeakPolarHBondContact O-CA 3.45Å; L156-A159 WeakPolarHBondContact O-CB 3.36Å; L156-A159 PolarHBondContact O-N 3.43Å; L156-D160 PolarHBondContact O-N 3.23Å
157	R	89.1	Confident	87.3	Confident	135 Å²	135	79.5 Å²	79.5	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-56.6	-35.3	177.8	-71.3	-173.3	-63.1	-90	6.1	113.3	Q153 S161	Q153-R157 WeakPolarHBondContact O-CG 3.15Å; Q153-R157 PolarHBondContact O-N 3.35Å; Q153-R157 PolarHBondContact O-NH1 3.37Å; R157-S161 WeakPolarHBondContact O-CB 3.4Å; R157-S161 PolarHBondContact O-N 3.24Å; R157-S161 PolarHBondContact O-OG 3.38Å
158	K	84.8	Confident	86.6	Confident	136 Å²	136	82.5 Å²	82.5	59%	0.591	40%	0.402	S	S	*	.	H	α-helix	trans	-75	-24.5	177.4	-74.7	174.6	-177.3	176.9	0	112.9	L31 G154 L155 L156	L31-K158 HydrophobicContact CD1-CB 4.19Å; G154-K158 VanDerWaalsContact O-CG 3.29Å; G154-K158 WeakPolarHBondContact O-CG 3.49Å; G154-K158 PolarHBondContact O-N 3.34Å; L155-K158 PolarHBondContact O-N 3.48Å; L156-K158 PolarHBondContact O-N 2.95Å; L156-K158 VanDerWaalsContact O-N 3.13Å
159	A	82.5	Confident	85.9	Confident	18 Å²	18	76.1 Å²	76.1	15%	0.149	38%	0.378	C	S	.	.	H	α-helix	trans	-76.8	-44.7	173.2	0	0	0	0	0	110.3	L31 L155 L156 S161 R162	L31-A159 HydrophobicContact CB-CB 4.41Å; L155-A159 PolarHBondContact O-N 3.49Å; L156-A159 WeakPolarHBondContact O-CA 3.45Å; L156-A159 WeakPolarHBondContact O-CB 3.36Å; L156-A159 PolarHBondContact O-N 3.43Å; A159-S161 VanDerWaalsContact C-N 3.26Å; A159-S161 PolarHBondContact O-N 2.97Å; A159-R162 WeakPolarHBondContact O-CB 3.38Å; A159-R162 PolarHBondContact O-N 3.37Å
160	D	73.3	Confident	85.1	Confident	105 Å²	105	80.5 Å²	80.5	56%	0.561	40%	0.397	S	S	*	.	H	α-helix	trans	-64.8	-26.4	179.6	-62.8	-21	0	0	0	114	L156 R162	L156-D160 PolarHBondContact O-N 3.23Å; D160-R162 VanDerWaalsContact C-N 3.29Å; D160-R162 PolarHBondContact O-N 3.41Å
161	S	69.1	Low	84.3	Confident	104 Å²	104	75.5 Å²	75.5	73%	0.727	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	8.1	-178.1	-54.2	0	0	0	0	113.8	R157 A159	R157-S161 WeakPolarHBondContact O-CB 3.4Å; R157-S161 PolarHBondContact O-N 3.24Å; R157-S161 PolarHBondContact O-OG 3.38Å; A159-S161 VanDerWaalsContact C-N 3.26Å; A159-S161 PolarHBondContact O-N 2.97Å
162	R	58.1	Low	83.4	Confident	197 Å²	197	76.9 Å²	76.9	74%	0.743	37%	0.373	S	S	*	.			trans	-91.4	0	177.6	-69.2	177.5	177.5	-161.8	-5.8	111.3	A159 D160	A159-R162 WeakPolarHBondContact O-CB 3.38Å; A159-R162 PolarHBondContact O-N 3.37Å; D160-R162 VanDerWaalsContact C-N 3.29Å; D160-R162 PolarHBondContact O-N 3.41Å

Retrieved 162 of 162 residues in 257.3 ms (Link to these results)

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