A0A077ZFI8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFI8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 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	M	26.4	Very low	37.1	Very low	236 Å²	236	99.3 Å²	99.3	100%	1.163	57%	0.568	S	S	*	*				0	83.9	0	-163.3	173.6	161.6	0	0	108.9
2	V	31.9	Very low	37.5	Very low	143 Å²	143	95.8 Å²	95.8	87%	0.867	56%	0.561	S	S	*	*			trans	-102.7	124.2	170.4	175.1	0	0	0	0	105.9
3	L	32.4	Very low	37.9	Very low	134 Å²	134	96.6 Å²	96.6	70%	0.702	55%	0.55	S	S	*	.			trans	-55.6	136	-167.7	-64.5	161.7	0	0	0	110.4	T5	L3-T5 PolarHBondContact O-N 2.75Å
4	A	33.1	Very low	38	Very low	105 Å²	105	90.8 Å²	90.8	87%	0.868	52%	0.518	S	S	*	.			trans	-48.1	89	152.9	0	0	0	0	0	107.6	D6	A4-D6 PolarHBondContact O-N 2.82Å
5	T	42.6	Very low	37.8	Very low	62 Å²	62	89.6 Å²	89.6	38%	0.38	51%	0.509	S	S	.	.			trans	-73.7	87.2	163.3	49.3	0	0	0	0	103.4	L3 V7 F44	L3-T5 PolarHBondContact O-N 2.75Å; T5-V7 PolarHBondContact O-N 3.17Å; T5-F44 HydrophobicContact CG2-CE2 4.38Å; T5-F44 HydrophobicContact CG2-CZ 4.36Å
6	D	35.7	Very low	37.6	Very low	80 Å²	80	86.9 Å²	86.9	43%	0.428	50%	0.496	S	S	.	.			trans	-3.6	118.9	170.4	-164.6	-23.5	0	0	0	112.5	A4 H8 T9	A4-D6 PolarHBondContact O-N 2.82Å; D6-H8 PolarHBondContact O-N 2.97Å; D6-H8 VanDerWaalsContact OD1-CB 3.27Å; D6-H8 WeakPolarHBondContact OD1-CB 3.14Å; D6-H8 IonicContact OD1-CD2 3.83Å; D6-H8 PolarHBondContact OD1-CD2 3.07Å; D6-H8 IonicContact OD1-CG 3.04Å; D6-H8 PolarHBondContact OD1-N 2.87Å; D6-H8 IonicContact OD2-CD2 3.28Å; D6-T9 WeakPolarHBondContact O-CA 3.4Å; D6-T9 WeakPolarHBondContact O-CB 3.4Å; D6-T9 PolarHBondContact O-N 3.08Å; D6-T9 PolarHBondContact O-OG1 3.12Å
7	V	41	Very low	37.6	Very low	38 Å²	38	87.6 Å²	87.6	23%	0.23	50%	0.504	C	S	.	.	H	α-helix	trans	-51.9	-26.9	177.6	165.7	0	0	0	0	111.1	T5 T9 I10 A11 I101 E104	T5-V7 PolarHBondContact O-N 3.17Å; V7-T9 PolarHBondContact O-N 2.94Å; V7-I10 PolarHBondContact O-N 3.31Å; V7-I10 VanDerWaalsContact O-N 3.16Å; V7-A11 WeakPolarHBondContact O-CB 3.34Å; V7-A11 PolarHBondContact O-N 3.05Å; V7-I101 HydrophobicContact CG1-CB 4.43Å; V7-I101 HydrophobicContact CG1-CG1 4.03Å; V7-I101 HydrophobicContact CG1-CG2 4.12Å; V7-E104 WeakPolarHBondContact CG2-OE2 3.44Å
8	H	37.7	Very low	37.5	Very low	122 Å²	122	87.3 Å²	87.3	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-56	-34.1	169.9	-72.2	-66.5	0	0	0	113.7	D6 A12	D6-H8 PolarHBondContact O-N 2.97Å; D6-H8 VanDerWaalsContact OD1-CB 3.27Å; D6-H8 WeakPolarHBondContact OD1-CB 3.14Å; D6-H8 IonicContact OD1-CD2 3.83Å; D6-H8 PolarHBondContact OD1-CD2 3.07Å; D6-H8 IonicContact OD1-CG 3.04Å; D6-H8 PolarHBondContact OD1-N 2.87Å; D6-H8 IonicContact OD2-CD2 3.28Å; H8-A12 WeakPolarHBondContact O-CB 3.29Å; H8-A12 PolarHBondContact O-N 3.48Å
9	T	43.8	Very low	37.3	Very low	56 Å²	56	89.3 Å²	89.3	34%	0.344	51%	0.513	S	S	.	.	H	α-helix	trans	-69.1	-46.3	176.7	-62	0	0	0	0	110.9	D6 V7 A12 Y13	D6-T9 WeakPolarHBondContact O-CA 3.4Å; D6-T9 WeakPolarHBondContact O-CB 3.4Å; D6-T9 PolarHBondContact O-N 3.08Å; D6-T9 PolarHBondContact O-OG1 3.12Å; V7-T9 PolarHBondContact O-N 2.94Å; T9-A12 PolarHBondContact O-N 3.19Å; T9-Y13 HydrophobicContact CG2-CD2 3.84Å; T9-Y13 HydrophobicContact CG2-CE2 3.26Å; T9-Y13 WeakPolarHBondContact O-CD2 3.38Å; T9-Y13 PolarHBondContact O-N 2.81Å; T9-Y13 VanDerWaalsContact O-N 3.08Å
10	I	43.3	Very low	37.4	Very low	80 Å²	80	89.5 Å²	89.5	41%	0.41	51%	0.512	S	S	.	.	H	α-helix	trans	-68	-41.8	178.4	-60.6	170.9	0	0	0	110.9	V7 A12 Y13 C14	V7-I10 PolarHBondContact O-N 3.31Å; V7-I10 VanDerWaalsContact O-N 3.16Å; I10-A12 VanDerWaalsContact C-N 3.33Å; I10-A12 PolarHBondContact O-N 3.04Å; I10-Y13 PolarHBondContact O-N 2.82Å; I10-Y13 VanDerWaalsContact O-N 3.12Å; I10-C14 PolarHBondContact O-N 3.32Å; I10-C14 VanDerWaalsContact O-N 3.07Å; I10-C14 PolarHBondContact O-SG 3.46Å
11	A	40.8	Very low	37.3	Very low	36 Å²	36	93.3 Å²	93.3	30%	0.298	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-39.8	175.6	0	0	0	0	0	111.7	V7 Y13 C14 L15	V7-A11 WeakPolarHBondContact O-CB 3.34Å; V7-A11 PolarHBondContact O-N 3.05Å; A11-Y13 VanDerWaalsContact C-N 3.29Å; A11-Y13 PolarHBondContact O-N 3.03Å; A11-C14 PolarHBondContact O-N 3.3Å; A11-L15 WeakPolarHBondContact O-CG 3.11Å; A11-L15 PolarHBondContact O-N 3.37Å; A11-L15 VanDerWaalsContact O-N 3.14Å
12	A	41.7	Very low	37.9	Very low	58 Å²	58	88.2 Å²	88.2	48%	0.479	51%	0.507	S	S	.	.	H	α-helix	trans	-64.6	-31.8	173.4	0	0	0	0	0	112.6	H8 T9 I10 W33	H8-A12 WeakPolarHBondContact O-CB 3.29Å; H8-A12 PolarHBondContact O-N 3.48Å; T9-A12 PolarHBondContact O-N 3.19Å; I10-A12 VanDerWaalsContact C-N 3.33Å; I10-A12 PolarHBondContact O-N 3.04Å; A12-W33 WeakPolarHBondContact O-CH2 3.3Å; A12-W33 WeakPolarHBondContact O-CZ2 3.48Å
13	Y	42	Very low	38	Very low	106 Å²	106	85.5 Å²	85.5	42%	0.416	51%	0.509	S	S	.	.	H	α-helix	trans	-75.4	-29.1	176	-73.9	-61.5	0	0	0	113.9	T9 I10 A11 W33 V36	T9-Y13 HydrophobicContact CG2-CD2 3.84Å; T9-Y13 HydrophobicContact CG2-CE2 3.26Å; T9-Y13 WeakPolarHBondContact O-CD2 3.38Å; T9-Y13 PolarHBondContact O-N 2.81Å; T9-Y13 VanDerWaalsContact O-N 3.08Å; I10-Y13 PolarHBondContact O-N 2.82Å; I10-Y13 VanDerWaalsContact O-N 3.12Å; A11-Y13 VanDerWaalsContact C-N 3.29Å; A11-Y13 PolarHBondContact O-N 3.03Å; Y13-W33 HydrophobicContact CD1-CZ3 4.32Å; Y13-V36 HydrophobicContact CE1-CG1 4.24Å; Y13-V36 HydrophobicContact CE1-CG2 4.41Å
14	C	39.6	Very low	38.1	Very low	15 Å²	15	86.4 Å²	86.4	10%	0.101	51%	0.513	C	S	.	.	H	α-helix	trans	-94.6	-18.3	-175.3	-64.7	0	0	0	0	114.5	I10 A11 P16 I140 Q143	I10-C14 PolarHBondContact O-N 3.32Å; I10-C14 VanDerWaalsContact O-N 3.07Å; I10-C14 PolarHBondContact O-SG 3.46Å; A11-C14 PolarHBondContact O-N 3.3Å; C14-P16 WeakPolarHBondContact O-CD 3.34Å; C14-I140 HydrophobicContact CB-CG2 4.17Å; C14-Q143 PolarHBondContact O-OE1 3.31Å
15	L	35.5	Very low	38	Very low	73 Å²	73	86.2 Å²	86.2	38%	0.382	51%	0.505	S	S	.	.	S	Bend	trans	-83.4	119.5	178.4	-72.7	168.5	0	0	0	110.7	A11 L132 I140	A11-L15 WeakPolarHBondContact O-CG 3.11Å; A11-L15 PolarHBondContact O-N 3.37Å; A11-L15 VanDerWaalsContact O-N 3.14Å; L15-L132 HydrophobicContact CD2-CD1 4.42Å; L15-L132 HydrophobicContact CD2-CD2 3.7Å; L15-I140 HydrophobicContact CD2-CD1 4.13Å
16	P	33.9	Very low	37.8	Very low	47 Å²	47	90.4 Å²	90.4	31%	0.305	53%	0.531	S	S	.	.			trans	-62.9	149.1	171.2	25.6	-31.5	0	0	0	110.1	C14 M18	C14-P16 WeakPolarHBondContact O-CD 3.34Å; P16-M18 PolarHBondContact O-N 3.29Å
17	P	37.8	Very low	37.8	Very low	98 Å²	98	94.7 Å²	94.7	64%	0.636	55%	0.549	S	S	*	.			trans	-62.3	102.5	178.6	25.5	-32.5	0	0	0	109	T19	P17-T19 PolarHBondContact O-N 2.99Å
18	M	35.4	Very low	37.6	Very low	82 Å²	82	98.2 Å²	98.2	40%	0.404	58%	0.575	S	S	.	*			trans	-62.4	106.3	173.6	-78	-146.7	-168.1	0	0	108.5	P16 N20 Q130 L132	P16-M18 PolarHBondContact O-N 3.29Å; M18-N20 PolarHBondContact O-N 3.16Å; M18-Q130 PolarHBondContact SD-OE1 3.32Å; M18-L132 HydrophobicContact CE-CD2 4.37Å
19	T	34.6	Very low	37.6	Very low	126 Å²	126	103.5 Å²	103.5	77%	0.773	59%	0.59	S	S	*	*			trans	-67.4	84.6	161.1	51.5	0	0	0	0	107.2	P17 D21	P17-T19 PolarHBondContact O-N 2.99Å; T19-D21 PolarHBondContact O-N 3Å
20	N	39	Very low	37.1	Very low	93 Å²	93	105.8 Å²	105.8	50%	0.497	60%	0.597	S	S	.	*			trans	-70.6	110.1	165.5	-70	-34.5	0	0	0	106.5	M18 I22	M18-N20 PolarHBondContact O-N 3.16Å; N20-I22 PolarHBondContact O-N 3.44Å
21	D	35.4	Very low	37	Very low	169 Å²	169	105 Å²	105	90%	0.904	60%	0.598	S	S	*	*			trans	-64.4	51.6	167.1	-88.9	-46.3	0	0	0	111.1	T19	T19-D21 PolarHBondContact O-N 3Å
22	I	38.8	Very low	36.9	Very low	129 Å²	129	107.4 Å²	107.4	66%	0.662	61%	0.611	S	S	*	*			trans	-112	102.3	167	-57.7	175	0	0	0	104.5	N20 L24	N20-I22 PolarHBondContact O-N 3.44Å; I22-L24 VanDerWaalsContact C-N 3.27Å; I22-L24 PolarHBondContact O-N 3.45Å
23	G	34.9	Very low	36.6	Very low	87 Å²	87	109.9 Å²	109.9	90%	0.897	61%	0.608	S	S	*	*			trans	-59.6	80.8	-176	0	0	0	0	0	113.7
24	L	32.9	Very low	36.2	Very low	153 Å²	153	109.5 Å²	109.5	80%	0.801	61%	0.613	S	S	*	*			trans	-120	104.7	162.7	-84.4	161.9	0	0	0	108.1	I22	I22-L24 VanDerWaalsContact C-N 3.27Å; I22-L24 PolarHBondContact O-N 3.45Å
25	S	32.6	Very low	36.4	Very low	100 Å²	100	115.3 Å²	115.3	70%	0.699	64%	0.637	S	S	*	*			trans	21.9	122.5	162.3	-67.9	0	0	0	0	118.1	E27	S25-E27 PolarHBondContact O-N 2.94Å
26	T	37.7	Very low	36.7	Very low	150 Å²	150	114 Å²	114	92%	0.92	63%	0.632	S	S	*	*			trans	-57.1	60.7	159.3	54.1	0	0	0	0	112.2
27	E	34.5	Very low	37	Very low	171 Å²	171	117.7 Å²	117.7	80%	0.799	65%	0.645	S	S	*	*			trans	-90.6	105.8	153.5	-80.1	-170.7	86.7	0	0	105.8	S25 R29	S25-E27 PolarHBondContact O-N 2.94Å; E27-R29 PolarHBondContact O-N 2.82Å
28	S	36.9	Very low	37.4	Very low	112 Å²	112	117.5 Å²	117.5	78%	0.783	64%	0.643	S	S	*	*			trans	-34.8	83.1	173.1	-144.6	0	0	0	0	111.2	E30	S28-E30 PolarHBondContact O-N 2.78Å
29	R	37.8	Very low	37.9	Very low	232 Å²	232	119.6 Å²	119.6	88%	0.875	65%	0.652	S	S	*	*			trans	-69.6	89.9	160.7	-132.8	169.2	83.8	174.2	5.6	101.7	E27 S31	E27-R29 PolarHBondContact O-N 2.82Å; R29-S31 VanDerWaalsContact C-N 3.28Å; R29-S31 PolarHBondContact O-N 3.02Å
30	E	34.6	Very low	38.5	Very low	105 Å²	105	116.2 Å²	116.2	49%	0.491	64%	0.637	S	S	.	*			trans	-45	107.7	170.6	-70	-154.7	126.7	0	0	105.4	S28 P32 K35	S28-E30 PolarHBondContact O-N 2.78Å; E30-P32 WeakPolarHBondContact O-CD 3.41Å; E30-K35 WeakPolarHBondContact OE2-CE 3.48Å; E30-K35 IonicContact OE2-NZ 2.79Å; E30-K35 PolarHBondContact OE2-NZ 3.04Å
31	S	40.1	Very low	38.7	Very low	63 Å²	63	113.9 Å²	113.9	44%	0.441	63%	0.626	S	S	.	*			trans	-40	111.1	170.4	-88.1	0	0	0	0	106.7	R29 W33 N34	R29-S31 VanDerWaalsContact C-N 3.28Å; R29-S31 PolarHBondContact O-N 3.02Å; S31-W33 PolarHBondContact O-N 3.32Å; S31-N34 PolarHBondContact O-N 3.24Å; S31-N34 PolarHBondContact O-OD1 2.79Å
32	P	40	Very low	39.3	Very low	87 Å²	87	114.8 Å²	114.8	57%	0.565	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-56.8	-18.5	-179	18.2	-28.6	0	0	0	111.3	E30 N34 K35 V36	E30-P32 WeakPolarHBondContact O-CD 3.41Å; P32-N34 VanDerWaalsContact C-N 3.25Å; P32-N34 PolarHBondContact O-N 3.32Å; P32-K35 PolarHBondContact O-N 2.95Å; P32-K35 VanDerWaalsContact O-N 3.12Å; P32-V36 PolarHBondContact O-N 3.05Å
33	W	33.7	Very low	40	Very low	110 Å²	110	115.7 Å²	115.7	42%	0.417	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-45.4	-31.4	163.3	-46.3	101.7	0	0	0	116.3	A12 Y13 S31 K35	A12-W33 WeakPolarHBondContact O-CH2 3.3Å; A12-W33 WeakPolarHBondContact O-CZ2 3.48Å; Y13-W33 HydrophobicContact CD1-CZ3 4.32Å; S31-W33 PolarHBondContact O-N 3.32Å; W33-K35 VanDerWaalsContact C-N 3.35Å
34	N	35.2	Very low	40.6	Very low	98 Å²	98	117.5 Å²	117.5	52%	0.524	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-77.7	-19	179	82.4	-17.7	0	0	0	113.5	S31 P32	S31-N34 PolarHBondContact O-N 3.24Å; S31-N34 PolarHBondContact O-OD1 2.79Å; P32-N34 VanDerWaalsContact C-N 3.25Å; P32-N34 PolarHBondContact O-N 3.32Å
35	K	43.2	Very low	41.1	Very low	137 Å²	137	113.9 Å²	113.9	60%	0.596	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-20.6	-178.8	-83.3	159.6	-170.2	161.3	0	112.6	E30 P32 W33 Q37	E30-K35 WeakPolarHBondContact OE2-CE 3.48Å; E30-K35 IonicContact OE2-NZ 2.79Å; E30-K35 PolarHBondContact OE2-NZ 3.04Å; P32-K35 PolarHBondContact O-N 2.95Å; P32-K35 VanDerWaalsContact O-N 3.12Å; W33-K35 VanDerWaalsContact C-N 3.35Å; K35-Q37 PolarHBondContact O-N 3.04Å
36	V	41.6	Very low	41.7	Very low	46 Å²	46	116 Å²	116	28%	0.279	57%	0.574	S	S	.	*	S	Bend	trans	-69.9	105.7	173.1	-179.8	0	0	0	0	107.5	Y13 P32 P38 V41	Y13-V36 HydrophobicContact CE1-CG1 4.24Å; Y13-V36 HydrophobicContact CE1-CG2 4.41Å; P32-V36 PolarHBondContact O-N 3.05Å; V36-P38 WeakPolarHBondContact O-CD 3.47Å; V36-P38 VanDerWaalsContact O-N 3.15Å; V36-V41 HydrophobicContact CG1-CG2 3.45Å; V36-V41 VanDerWaalsContact CG1-CG2 3.45Å
37	Q	40.7	Very low	41.7	Very low	123 Å²	123	118 Å²	118	58%	0.575	57%	0.565	S	S	*	*			trans	-55.8	121.5	176.2	-67.4	-69.6	-47.4	0	0	107.8	K35 E39 A40 V41	K35-Q37 PolarHBondContact O-N 3.04Å; Q37-E39 PolarHBondContact O-N 3.33Å; Q37-A40 HydrophobicContact CB-CB 4.24Å; Q37-A40 WeakPolarHBondContact O-CB 3.5Å; Q37-A40 PolarHBondContact O-N 3.47Å; Q37-V41 PolarHBondContact O-N 3.2Å
38	P	45.2	Very low	42	Very low	94 Å²	94	112.1 Å²	112.1	61%	0.61	55%	0.545	S	S	*	.	H	α-helix	trans	-56.7	-23.9	176.2	20.1	-30.5	0	0	0	111.4	V36 R42	V36-P38 WeakPolarHBondContact O-CD 3.47Å; V36-P38 VanDerWaalsContact O-N 3.15Å; P38-R42 WeakPolarHBondContact O-CB 3.27Å; P38-R42 WeakPolarHBondContact O-CG 3.37Å; P38-R42 PolarHBondContact O-N 2.85Å
39	E	46.2	Very low	42	Very low	126 Å²	126	112.2 Å²	112.2	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-65.8	-34.2	170.6	-64.7	-157.5	161.7	0	0	114.7	Q37 K43	Q37-E39 PolarHBondContact O-N 3.33Å; E39-K43 WeakPolarHBondContact O-CB 3.48Å; E39-K43 WeakPolarHBondContact O-CG 3.36Å; E39-K43 PolarHBondContact O-N 3.01Å
40	A	46.5	Very low	41.8	Very low	56 Å²	56	107.1 Å²	107.1	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-68.9	-42.1	178	0	0	0	0	0	110.7	Q37 K43 F44	Q37-A40 HydrophobicContact CB-CB 4.24Å; Q37-A40 WeakPolarHBondContact O-CB 3.5Å; Q37-A40 PolarHBondContact O-N 3.47Å; A40-K43 PolarHBondContact O-N 3.47Å; A40-F44 PolarHBondContact O-N 3.27Å
41	V	44.6	Very low	42	Very low	43 Å²	43	107.5 Å²	107.5	26%	0.261	53%	0.532	S	S	.	.	H	α-helix	trans	-65.1	-46.7	174.6	-178.6	0	0	0	0	110.2	V36 Q37 K43 F44 F45	V36-V41 HydrophobicContact CG1-CG2 3.45Å; V36-V41 VanDerWaalsContact CG1-CG2 3.45Å; Q37-V41 PolarHBondContact O-N 3.2Å; V41-K43 VanDerWaalsContact C-N 3.31Å; V41-K43 PolarHBondContact O-N 3.12Å; V41-F44 WeakPolarHBondContact O-CB 3.33Å; V41-F44 PolarHBondContact O-N 2.96Å; V41-F45 HydrophobicContact CG1-CD2 3.73Å; V41-F45 HydrophobicContact CG1-CE2 3.66Å; V41-F45 WeakPolarHBondContact O-CD2 3.5Å; V41-F45 PolarHBondContact O-N 2.89Å
42	R	47.8	Very low	41.9	Very low	189 Å²	189	108.3 Å²	108.3	71%	0.713	54%	0.537	S	S	*	.	H	α-helix	trans	-59.8	-38.6	173.7	-76.6	-177.9	74.2	-158.4	5.4	112.6	P38 F44 K46	P38-R42 WeakPolarHBondContact O-CB 3.27Å; P38-R42 WeakPolarHBondContact O-CG 3.37Å; P38-R42 PolarHBondContact O-N 2.85Å; R42-F44 VanDerWaalsContact C-N 3.31Å; R42-K46 WeakPolarHBondContact O-CB 3.47Å; R42-K46 PolarHBondContact O-N 3.02Å
43	K	52.8	Low	41.9	Very low	148 Å²	148	109.5 Å²	109.5	64%	0.643	54%	0.539	S	S	*	.	H	α-helix	trans	-66.2	-33.7	174.1	-84.9	-178.3	179.5	176.1	0	112.2	E39 A40 V41 R47	E39-K43 WeakPolarHBondContact O-CB 3.48Å; E39-K43 WeakPolarHBondContact O-CG 3.36Å; E39-K43 PolarHBondContact O-N 3.01Å; A40-K43 PolarHBondContact O-N 3.47Å; V41-K43 VanDerWaalsContact C-N 3.31Å; V41-K43 PolarHBondContact O-N 3.12Å; K43-R47 PolarHBondContact O-N 3.23Å
44	F	48.2	Very low	42	Very low	124 Å²	124	112.9 Å²	112.9	54%	0.544	56%	0.56	S	S	.	*	H	α-helix	trans	-67.8	-50.8	177.4	-146	-85.2	0	0	0	110.9	T5 A40 V41 R42 R47 A48	T5-F44 HydrophobicContact CG2-CE2 4.38Å; T5-F44 HydrophobicContact CG2-CZ 4.36Å; A40-F44 PolarHBondContact O-N 3.27Å; V41-F44 WeakPolarHBondContact O-CB 3.33Å; V41-F44 PolarHBondContact O-N 2.96Å; R42-F44 VanDerWaalsContact C-N 3.31Å; F44-R47 WeakPolarHBondContact O-CB 3.39Å; F44-R47 PolarHBondContact O-N 3.07Å; F44-R47 VanDerWaalsContact O-N 3.16Å; F44-A48 PolarHBondContact O-N 2.71Å
45	F	42.8	Very low	42.3	Very low	77 Å²	77	116.4 Å²	116.4	34%	0.338	57%	0.573	S	S	.	*	H	α-helix	trans	-67.1	-36.6	175.4	-74.8	-73.1	0	0	0	112.4	V41 R47 A48 E49 F147	V41-F45 HydrophobicContact CG1-CD2 3.73Å; V41-F45 HydrophobicContact CG1-CE2 3.66Å; V41-F45 WeakPolarHBondContact O-CD2 3.5Å; V41-F45 PolarHBondContact O-N 2.89Å; F45-R47 PolarHBondContact O-N 3.2Å; F45-A48 CarbonylContact O-C 3.52Å; F45-A48 WeakPolarHBondContact O-CA 3.45Å; F45-A48 PolarHBondContact O-N 3.33Å; F45-E49 VanDerWaalsContact O-CB 3.3Å; F45-E49 WeakPolarHBondContact O-CB 2.97Å; F45-E49 PolarHBondContact O-N 2.83Å; F45-F147 HydrophobicContact CD1-CB 4.32Å; F45-F147 HydrophobicContact CD1-CD1 4.34Å; F45-F147 HydrophobicContact CD2-CD1 4.1Å; F45-F147 HydrophobicContact CD2-CE1 4.42Å; F45-F147 HydrophobicContact CE1-CB 3.56Å; F45-F147 AromaticContact CE1-CD1 3.7Å; F45-F147 HydrophobicContact CE1-CD1 3.7Å; F45-F147 AromaticContact CE1-CG 3.82Å; F45-F147 HydrophobicContact CE1-CG 3.82Å; F45-F147 AromaticContact CE2-CD1 3.38Å; F45-F147 HydrophobicContact CE2-CD1 3.38Å; F45-F147 AromaticContact CE2-CE1 3.57Å; F45-F147 HydrophobicContact CE2-CE1 3.57Å; F45-F147 HydrophobicContact CE2-CG 4.21Å; F45-F147 HydrophobicContact CZ-CB 3.82Å; F45-F147 AromaticContact CZ-CD1 3.15Å; F45-F147 HydrophobicContact CZ-CD1 3.15Å; F45-F147 HydrophobicContact CZ-CD2 4.29Å; F45-F147 AromaticContact CZ-CE1 3.7Å; F45-F147 HydrophobicContact CZ-CE1 3.7Å; F45-F147 AromaticContact CZ-CG 3.51Å; F45-F147 HydrophobicContact CZ-CG 3.51Å; F45-F147 HydrophobicContact CZ-CZ 4.47Å
46	K	45.4	Very low	42.1	Very low	144 Å²	144	116.3 Å²	116.3	63%	0.626	58%	0.579	S	S	*	*	H	α-helix	trans	-64.9	-28	173.7	-164.9	173.1	-171.5	-177.3	0	112.7	R42 L50	R42-K46 WeakPolarHBondContact O-CB 3.47Å; R42-K46 PolarHBondContact O-N 3.02Å; K46-L50 VanDerWaalsContact O-CB 3.29Å; K46-L50 WeakPolarHBondContact O-CB 3.21Å; K46-L50 PolarHBondContact O-N 2.94Å
47	R	38.3	Very low	42	Very low	194 Å²	194	120.9 Å²	120.9	73%	0.732	60%	0.602	S	S	*	*	H	α-helix	trans	-73.8	-35.5	170.2	-87.2	-175.9	170.3	-175.8	-3.4	112.2	K43 F44 F45 V51	K43-R47 PolarHBondContact O-N 3.23Å; F44-R47 WeakPolarHBondContact O-CB 3.39Å; F44-R47 PolarHBondContact O-N 3.07Å; F44-R47 VanDerWaalsContact O-N 3.16Å; F45-R47 PolarHBondContact O-N 3.2Å; R47-V51 WeakPolarHBondContact O-CG2 2.87Å; R47-V51 PolarHBondContact O-N 3.43Å
48	A	40.7	Very low	42	Very low	47 Å²	47	124.2 Å²	124.2	39%	0.388	62%	0.615	S	S	.	*	H	α-helix	trans	-71.7	-39.9	174.9	0	0	0	0	0	112	F44 F45 L50 V51 S52	F44-A48 PolarHBondContact O-N 2.71Å; F45-A48 CarbonylContact O-C 3.52Å; F45-A48 WeakPolarHBondContact O-CA 3.45Å; F45-A48 PolarHBondContact O-N 3.33Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-V51 CarbonylContact O-C 3.52Å; A48-V51 WeakPolarHBondContact O-CA 3.5Å; A48-V51 VanDerWaalsContact O-CB 3.27Å; A48-V51 WeakPolarHBondContact O-CB 3.38Å; A48-V51 PolarHBondContact O-N 2.76Å; A48-S52 PolarHBondContact O-N 3.34Å; A48-S52 PolarHBondContact O-OG 3.31Å
49	E	37.2	Very low	42.1	Very low	114 Å²	114	128.4 Å²	128.4	53%	0.533	63%	0.626	S	S	.	*	H	α-helix	trans	-65.8	-35.1	172.1	-168.5	-179.4	-163.3	0	0	110.8	F45 V51 S52 D53	F45-E49 VanDerWaalsContact O-CB 3.3Å; F45-E49 WeakPolarHBondContact O-CB 2.97Å; F45-E49 PolarHBondContact O-N 2.83Å; E49-V51 PolarHBondContact O-N 3.49Å; E49-S52 CarbonylContact O-C 3.51Å; E49-S52 WeakPolarHBondContact O-CA 3.05Å; E49-S52 PolarHBondContact O-N 2.66Å; E49-D53 WeakPolarHBondContact O-CB 3.4Å; E49-D53 PolarHBondContact O-N 3.03Å
50	L	33.6	Very low	41.8	Very low	125 Å²	125	130.8 Å²	130.8	65%	0.654	64%	0.642	S	S	*	*	H	α-helix	trans	-65.1	-26.5	169.8	-154.9	97.8	0	0	0	112.5	K46 A48	K46-L50 VanDerWaalsContact O-CB 3.29Å; K46-L50 WeakPolarHBondContact O-CB 3.21Å; K46-L50 PolarHBondContact O-N 2.94Å; A48-L50 VanDerWaalsContact C-N 3.33Å
51	V	39.1	Very low	41	Very low	113 Å²	113	139 Å²	139	69%	0.685	66%	0.661	S	S	*	*	H	α-helix	trans	-77	-31.1	170.6	166.7	0	0	0	0	110.6	R47 A48 E49	R47-V51 WeakPolarHBondContact O-CG2 2.87Å; R47-V51 PolarHBondContact O-N 3.43Å; A48-V51 CarbonylContact O-C 3.52Å; A48-V51 WeakPolarHBondContact O-CA 3.5Å; A48-V51 VanDerWaalsContact O-CB 3.27Å; A48-V51 WeakPolarHBondContact O-CB 3.38Å; A48-V51 PolarHBondContact O-N 2.76Å; E49-V51 PolarHBondContact O-N 3.49Å
52	S	36.5	Very low	40.5	Very low	79 Å²	79	143 Å²	143	55%	0.552	69%	0.691	S	S	*	*	H	α-helix	trans	-79.4	-29.1	176.7	-47.5	0	0	0	0	114.3	A48 E49 Q54 E55	A48-S52 PolarHBondContact O-N 3.34Å; A48-S52 PolarHBondContact O-OG 3.31Å; E49-S52 CarbonylContact O-C 3.51Å; E49-S52 WeakPolarHBondContact O-CA 3.05Å; E49-S52 PolarHBondContact O-N 2.66Å; S52-Q54 VanDerWaalsContact C-N 3.28Å; S52-Q54 PolarHBondContact O-N 2.92Å; S52-E55 PolarHBondContact O-N 3.37Å
53	D	39.8	Very low	40	Very low	113 Å²	113	138.3 Å²	138.3	60%	0.604	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-11.7	178.8	-82.5	-10.5	0	0	0	112.9	E49 E55	E49-D53 WeakPolarHBondContact O-CB 3.4Å; E49-D53 PolarHBondContact O-N 3.03Å; D53-E55 VanDerWaalsContact C-N 3.29Å
54	Q	36.2	Very low	39.2	Very low	180 Å²	180	136.1 Å²	136.1	84%	0.841	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-13.8	175	-159	169	42	0	0	112.8	S52	S52-Q54 VanDerWaalsContact C-N 3.28Å; S52-Q54 PolarHBondContact O-N 2.92Å
55	E	42	Very low	38.7	Very low	173 Å²	173	138.3 Å²	138.3	81%	0.808	71%	0.707	S	S	*	*	S	Bend	trans	-94	-16.3	174.8	-161.3	170.2	107.1	0	0	113.2	S52 D53 D57	S52-E55 PolarHBondContact O-N 3.37Å; D53-E55 VanDerWaalsContact C-N 3.29Å; E55-D57 PolarHBondContact O-N 3.28Å
56	N	38.6	Very low	38.5	Very low	135 Å²	135	140.7 Å²	140.7	72%	0.722	73%	0.728	S	S	*	*	S	Bend	trans	-104.5	74.6	-172.2	-138.4	85.3	0	0	0	114.4
57	D	39.2	Very low	38.3	Very low	141 Å²	141	144.2 Å²	144.2	75%	0.754	74%	0.738	S	S	*	*			trans	76.7	132.1	143.4	-145.2	13.2	0	0	0	119.4	E55	E55-D57 PolarHBondContact O-N 3.28Å
58	F	42.1	Very low	38.3	Very low	193 Å²	193	143.8 Å²	143.8	85%	0.846	74%	0.744	S	S	*	*	S	Bend	trans	-50.7	140.3	166.4	-88.7	-114.9	0	0	0	110
59	E	46.3	Very low	38.6	Very low	182 Å²	182	144.9 Å²	144.9	85%	0.85	75%	0.753	S	S	*	*			trans	82.4	60.6	154.6	-143.7	171.7	-146.5	0	0	118.3
60	L	40.5	Very low	38.7	Very low	176 Å²	176	148.8 Å²	148.8	92%	0.921	77%	0.771	S	S	*	*			trans	-119.6	106.1	148.8	-72.6	178.4	0	0	0	111.4	S62	L60-S62 PolarHBondContact O-N 2.95Å; L60-S62 VanDerWaalsContact O-N 3.12Å
61	R	30.1	Very low	39.3	Very low	229 Å²	229	148.4 Å²	148.4	86%	0.864	77%	0.774	S	S	*	*			trans	-41.6	111.6	178.5	-74.6	-160.2	-80.5	159.1	-9.9	113.1	S63	R61-S63 PolarHBondContact O-N 3.43Å
62	S	34.3	Very low	39.7	Very low	127 Å²	127	151.8 Å²	151.8	89%	0.888	78%	0.782	S	S	*	*			trans	-65.4	73.1	159	38.5	0	0	0	0	110.8	L60	L60-S62 PolarHBondContact O-N 2.95Å; L60-S62 VanDerWaalsContact O-N 3.12Å
63	S	37.2	Very low	39.9	Very low	91 Å²	91	151.4 Å²	151.4	64%	0.636	79%	0.79	S	S	*	*			trans	-89.3	113.3	163	67.6	0	0	0	0	109.4	R61	R61-S63 PolarHBondContact O-N 3.43Å
64	S	34.9	Very low	40.2	Very low	102 Å²	102	150 Å²	150	71%	0.713	79%	0.786	S	S	*	*			trans	73.8	75.7	164	64.5	0	0	0	0	118
65	L	37.5	Very low	40.3	Very low	169 Å²	169	146.4 Å²	146.4	89%	0.885	77%	0.773	S	S	*	*			trans	-120.5	80.5	133.8	-158.3	81.6	0	0	0	108.7	R67	L65-R67 VanDerWaalsContact C-N 3.33Å; L65-R67 PolarHBondContact O-N 2.89Å
66	T	39.1	Very low	40.8	Very low	128 Å²	128	146.1 Å²	146.1	79%	0.785	77%	0.769	S	S	*	*			trans	-63	94	165.8	-48.8	0	0	0	0	107.9
67	R	40.9	Very low	41.4	Very low	218 Å²	218	147.4 Å²	147.4	82%	0.823	77%	0.771	S	S	*	*			trans	-136.5	105.8	157.1	-169.2	170.1	171.9	162.6	-3.2	107.9	L65 A69	L65-R67 VanDerWaalsContact C-N 3.33Å; L65-R67 PolarHBondContact O-N 2.89Å; R67-A69 PolarHBondContact O-N 3.27Å
68	E	38.7	Very low	42.1	Very low	184 Å²	184	147.7 Å²	147.7	86%	0.86	77%	0.767	S	S	*	*			trans	-59.8	85.8	171.7	-51.7	-170.3	138.7	0	0	107.8
69	A	47.5	Very low	42.1	Very low	70 Å²	70	144.8 Å²	144.8	58%	0.579	75%	0.754	S	S	*	*			trans	-95.2	106.5	158.8	0	0	0	0	0	104.6	R67 T71	R67-A69 PolarHBondContact O-N 3.27Å; A69-T71 HydrophobicContact CB-CG2 4.49Å; A69-T71 PolarHBondContact O-N 2.7Å
70	E	38.6	Very low	42.3	Very low	197 Å²	197	140.2 Å²	140.2	92%	0.921	75%	0.748	S	S	*	*			trans	-59.7	79.8	166.1	-67.6	169.8	105.7	0	0	108.1	E72	E70-E72 PolarHBondContact O-N 2.97Å
71	T	46.3	Very low	42.6	Very low	116 Å²	116	136 Å²	136	71%	0.712	74%	0.738	S	S	*	*			trans	-78	98.9	165.2	55.7	0	0	0	0	105.7	A69 G73	A69-T71 HydrophobicContact CB-CG2 4.49Å; A69-T71 PolarHBondContact O-N 2.7Å; T71-G73 PolarHBondContact O-N 2.91Å; T71-G73 VanDerWaalsContact O-N 3.08Å
72	E	48.3	Very low	43.4	Very low	185 Å²	185	130.3 Å²	130.3	86%	0.864	73%	0.729	S	S	*	*			trans	-37.6	116.6	159.1	-174.1	170.1	-165.2	0	0	107.8	E70 V74	E70-E72 PolarHBondContact O-N 2.97Å; E72-V74 PolarHBondContact O-N 2.71Å
73	G	39.6	Very low	44	Very low	70 Å²	70	131.1 Å²	131.1	72%	0.722	72%	0.723	S	S	*	*			trans	-51.6	109.8	-162.6	0	0	0	0	0	111.4	T71 D75	T71-G73 PolarHBondContact O-N 2.91Å; T71-G73 VanDerWaalsContact O-N 3.08Å; G73-D75 PolarHBondContact O-N 2.71Å; G73-D75 VanDerWaalsContact O-N 3.07Å
74	V	45.5	Very low	44.5	Very low	84 Å²	84	134 Å²	134	51%	0.509	73%	0.732	S	S	.	*			trans	-65.6	108.6	162.7	171.7	0	0	0	0	105.2	E72 F76 F79	E72-V74 PolarHBondContact O-N 2.71Å; V74-F76 WeakPolarHBondContact O-CD2 3.15Å; V74-F76 WeakPolarHBondContact O-CE2 3.32Å; V74-F76 PolarHBondContact O-N 3.24Å; V74-F79 HydrophobicContact CG1-CD2 4.41Å; V74-F79 HydrophobicContact CG1-CE2 3.83Å
75	D	39.9	Very low	45.4	Very low	105 Å²	105	138.1 Å²	138.1	56%	0.561	74%	0.74	S	S	*	*			trans	-63.2	105.8	175	-179.4	20.9	0	0	0	109.2	G73 E77 H78	G73-D75 PolarHBondContact O-N 2.71Å; G73-D75 VanDerWaalsContact O-N 3.07Å; D75-E77 PolarHBondContact O-N 2.71Å; D75-E77 PolarHBondContact OD1-N 2.98Å; D75-H78 PolarHBondContact O-N 3.48Å
76	F	52.1	Low	45.9	Very low	167 Å²	167	135.8 Å²	135.8	73%	0.732	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-71	-11.8	-177.7	-71.9	-84.9	0	0	0	112.7	V74 H78 F79	V74-F76 WeakPolarHBondContact O-CD2 3.15Å; V74-F76 WeakPolarHBondContact O-CE2 3.32Å; V74-F76 PolarHBondContact O-N 3.24Å; F76-H78 PolarHBondContact O-N 3.12Å; F76-F79 PolarHBondContact O-N 3.42Å
77	E	50.6	Low	46.4	Very low	162 Å²	162	132.3 Å²	132.3	76%	0.757	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-65.3	-25.5	175.6	-70.3	-163.4	149.1	0	0	112.3	D75 F79	D75-E77 PolarHBondContact O-N 2.71Å; D75-E77 PolarHBondContact OD1-N 2.98Å; E77-F79 VanDerWaalsContact C-N 3.34Å; E77-F79 PolarHBondContact O-N 3.47Å
78	H	54	Low	46.6	Very low	146 Å²	146	127.5 Å²	127.5	68%	0.676	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-73	-24.3	176.3	-170	-84.7	0	0	0	113.2	D75 F76	D75-H78 PolarHBondContact O-N 3.48Å; F76-H78 PolarHBondContact O-N 3.12Å
79	F	43	Very low	47.1	Very low	132 Å²	132	124.4 Å²	124.4	58%	0.579	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-82.6	-19.8	-178.8	-80.9	-85.7	0	0	0	113.6	V74 F76 E77 A81 T82	V74-F79 HydrophobicContact CG1-CD2 4.41Å; V74-F79 HydrophobicContact CG1-CE2 3.83Å; F76-F79 PolarHBondContact O-N 3.42Å; E77-F79 VanDerWaalsContact C-N 3.34Å; E77-F79 PolarHBondContact O-N 3.47Å; F79-A81 PolarHBondContact O-N 3.12Å; F79-T82 PolarHBondContact O-OG1 3.08Å
80	A	50.5	Low	47.3	Very low	86 Å²	86	126.5 Å²	126.5	71%	0.711	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-69.2	-14.7	179.3	0	0	0	0	0	113.6
81	A	46.4	Very low	48	Very low	88 Å²	88	124.3 Å²	124.3	73%	0.727	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-94.1	-3.1	-176.8	0	0	0	0	0	114.7	F79	F79-A81 PolarHBondContact O-N 3.12Å
82	T	46.8	Very low	48.5	Very low	110 Å²	110	122.4 Å²	122.4	68%	0.675	70%	0.701	S	S	*	*			trans	-107.5	35.5	-178.1	40.6	0	0	0	0	113.6	F79	F79-T82 PolarHBondContact O-OG1 3.08Å
83	D	47.7	Very low	49.3	Very low	143 Å²	143	117.3 Å²	117.3	77%	0.765	68%	0.679	S	S	*	*			trans	-114.3	39	177.6	-167.8	44.2	0	0	0	113.6
84	D	46.5	Very low	50.1	Low	151 Å²	151	118.2 Å²	118.2	81%	0.807	67%	0.673	S	S	*	*			trans	-135	28.9	174.1	-159	40.9	0	0	0	114.3
85	E	53.7	Low	50.9	Low	189 Å²	189	120.6 Å²	120.6	88%	0.883	68%	0.678	S	S	*	*			trans	-115.1	82.6	154.5	-158.4	174	141.2	0	0	107.2	G87	E85-G87 PolarHBondContact O-N 3.48Å
86	V	48.2	Very low	52.3	Low	120 Å²	120	119.1 Å²	119.1	73%	0.727	67%	0.673	S	S	*	*			trans	-60.4	75.2	163.1	-177.7	0	0	0	0	107.1	T88	V86-T88 PolarHBondContact O-N 2.91Å; V86-T88 VanDerWaalsContact O-N 3.13Å
87	G	50	Low	53	Low	55 Å²	55	114.8 Å²	114.8	57%	0.567	66%	0.657	S	S	*	*			trans	-56.6	117.8	154.6	0	0	0	0	0	104.3	E85 S89	E85-G87 PolarHBondContact O-N 3.48Å; G87-S89 VanDerWaalsContact C-N 3.27Å; G87-S89 PolarHBondContact O-N 2.86Å
88	T	45.3	Very low	53.6	Low	117 Å²	117	111.5 Å²	111.5	72%	0.718	64%	0.64	S	S	*	*			trans	-54.7	100	176.8	50	0	0	0	0	107.1	V86 T90	V86-T88 PolarHBondContact O-N 2.91Å; V86-T88 VanDerWaalsContact O-N 3.13Å; T88-T90 PolarHBondContact O-N 3.38Å
89	S	48.3	Very low	54.1	Low	120 Å²	120	109.6 Å²	109.6	84%	0.839	63%	0.632	S	S	*	*			trans	-73.4	59.3	174	-173.6	0	0	0	0	107.6	G87 E91	G87-S89 VanDerWaalsContact C-N 3.27Å; G87-S89 PolarHBondContact O-N 2.86Å; S89-E91 VanDerWaalsContact C-N 3.3Å; S89-E91 PolarHBondContact O-N 3.42Å; S89-E91 VanDerWaalsContact O-N 3.12Å
90	T	51.8	Low	55.2	Low	113 Å²	113	107 Å²	107	69%	0.693	63%	0.626	S	S	*	*			trans	-71.4	100.8	160	-56.9	0	0	0	0	104	T88 P92	T88-T90 PolarHBondContact O-N 3.38Å; T90-P92 WeakPolarHBondContact O-CD 3.15Å
91	E	54.3	Low	55.8	Low	151 Å²	151	105.4 Å²	105.4	71%	0.706	61%	0.606	S	S	*	*			trans	-45.4	115.5	165.2	-174.1	179.9	140.8	0	0	106.7	S89 D93	S89-E91 VanDerWaalsContact C-N 3.3Å; S89-E91 PolarHBondContact O-N 3.42Å; S89-E91 VanDerWaalsContact O-N 3.12Å; E91-D93 PolarHBondContact O-N 3.07Å
92	P	55.3	Low	56.5	Low	77 Å²	77	101.8 Å²	101.8	50%	0.5	57%	0.574	S	S	.	*			trans	-63.5	120.8	-173.2	20.9	-28.5	0	0	0	107.4	T90 I97	T90-P92 WeakPolarHBondContact O-CD 3.15Å; P92-I97 HydrophobicContact CB-CD1 4.11Å; P92-I97 HydrophobicContact CB-CG1 3.86Å; P92-I97 HydrophobicContact CG-CD1 3.93Å; P92-I97 HydrophobicContact CG-CG1 4.18Å
93	D	66.2	Low	57.2	Low	77 Å²	77	99.9 Å²	99.9	41%	0.412	57%	0.57	S	S	.	*			trans	-48.8	127.1	178.4	157.7	59.5	0	0	0	109.1	E91 Q95 T96 I97	E91-D93 PolarHBondContact O-N 3.07Å; D93-Q95 PolarHBondContact O-N 3.16Å; D93-Q95 PolarHBondContact OD1-N 3.14Å; D93-Q95 WeakPolarHBondContact OD2-CA 3.38Å; D93-Q95 WeakPolarHBondContact OD2-CB 3.31Å; D93-Q95 PolarHBondContact OD2-N 3.33Å; D93-T96 WeakPolarHBondContact O-CA 3.41Å; D93-T96 VanDerWaalsContact O-CB 3.27Å; D93-T96 WeakPolarHBondContact O-CB 3.42Å; D93-T96 PolarHBondContact O-N 2.72Å; D93-T96 PolarHBondContact OD2-N 3.28Å; D93-T96 PolarHBondContact OD2-OG1 2.91Å; D93-I97 PolarHBondContact O-N 2.97Å
94	P	56.6	Low	57.6	Low	90 Å²	90	98.3 Å²	98.3	58%	0.584	56%	0.558	S	S	*	*	H	α-helix	trans	-53.5	-31.7	-177.4	-28.1	33.9	0	0	0	113.1	I97 F98	P94-I97 PolarHBondContact O-N 2.84Å; P94-F98 PolarHBondContact O-N 3.3Å; P94-F98 VanDerWaalsContact O-N 3.09Å
95	Q	62	Low	58.2	Low	134 Å²	134	92.6 Å²	92.6	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-70.2	-37.5	177.2	-140.3	177.8	-88.8	0	0	112.1	D93 F98 Q99	D93-Q95 PolarHBondContact O-N 3.16Å; D93-Q95 PolarHBondContact OD1-N 3.14Å; D93-Q95 WeakPolarHBondContact OD2-CA 3.38Å; D93-Q95 WeakPolarHBondContact OD2-CB 3.31Å; D93-Q95 PolarHBondContact OD2-N 3.33Å; Q95-F98 PolarHBondContact O-N 3.49Å; Q95-Q99 PolarHBondContact O-N 2.94Å
96	T	69.1	Low	57.7	Low	73 Å²	73	85.6 Å²	85.6	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-64.3	-45.1	173.3	-58.3	0	0	0	0	110.9	D93 F98 Q99 T100	D93-T96 WeakPolarHBondContact O-CA 3.41Å; D93-T96 VanDerWaalsContact O-CB 3.27Å; D93-T96 WeakPolarHBondContact O-CB 3.42Å; D93-T96 PolarHBondContact O-N 2.72Å; D93-T96 PolarHBondContact OD2-N 3.28Å; D93-T96 PolarHBondContact OD2-OG1 2.91Å; T96-F98 VanDerWaalsContact C-N 3.29Å; T96-F98 PolarHBondContact O-N 3.45Å; T96-Q99 PolarHBondContact O-N 3.48Å; T96-T100 PolarHBondContact O-N 3.45Å; T96-T100 PolarHBondContact O-OG1 3.13Å; T96-T100 VanDerWaalsContact O-OG1 3.04Å
97	I	67.8	Low	57.7	Low	76 Å²	76	82.4 Å²	82.4	39%	0.39	49%	0.488	S	S	.	.	H	α-helix	trans	-57.1	-46.5	175	-58.1	173.7	0	0	0	110.3	P92 D93 P94 T100 I101	P92-I97 HydrophobicContact CB-CD1 4.11Å; P92-I97 HydrophobicContact CB-CG1 3.86Å; P92-I97 HydrophobicContact CG-CD1 3.93Å; P92-I97 HydrophobicContact CG-CG1 4.18Å; D93-I97 PolarHBondContact O-N 2.97Å; P94-I97 PolarHBondContact O-N 2.84Å; I97-T100 PolarHBondContact O-N 2.97Å; I97-I101 HydrophobicContact CG2-CD1 3.84Å; I97-I101 HydrophobicContact CG2-CG1 4.4Å; I97-I101 VanDerWaalsContact O-CG1 3.29Å; I97-I101 WeakPolarHBondContact O-CG1 3.34Å; I97-I101 PolarHBondContact O-N 3.24Å
98	F	61.6	Low	57.4	Low	94 Å²	94	84 Å²	84	41%	0.412	49%	0.491	S	S	.	.	H	α-helix	trans	-62	-45.3	178.9	-173.7	-100.2	0	0	0	112.1	P94 Q95 T96 T100 I101 V102	P94-F98 PolarHBondContact O-N 3.3Å; P94-F98 VanDerWaalsContact O-N 3.09Å; Q95-F98 PolarHBondContact O-N 3.49Å; T96-F98 VanDerWaalsContact C-N 3.29Å; T96-F98 PolarHBondContact O-N 3.45Å; F98-T100 VanDerWaalsContact C-N 3.32Å; F98-T100 PolarHBondContact O-N 3.05Å; F98-I101 PolarHBondContact O-N 2.77Å; F98-V102 HydrophobicContact CD1-CG2 4.09Å; F98-V102 HydrophobicContact CE1-CG2 3.76Å; F98-V102 HydrophobicContact CE2-CG2 4.3Å; F98-V102 HydrophobicContact CZ-CG2 3.87Å; F98-V102 WeakPolarHBondContact O-CB 3.49Å; F98-V102 WeakPolarHBondContact O-CG2 3.33Å; F98-V102 PolarHBondContact O-N 3.04Å
99	Q	64.8	Low	57.2	Low	106 Å²	106	84 Å²	84	50%	0.495	49%	0.485	S	S	.	.	H	α-helix	trans	-62.6	-38.5	175.3	-78.3	-166.3	48.4	0	0	112.6	Q95 T96 V102 A103 L109	Q95-Q99 PolarHBondContact O-N 2.94Å; T96-Q99 PolarHBondContact O-N 3.48Å; Q99-V102 PolarHBondContact O-N 3.04Å; Q99-A103 VanDerWaalsContact O-CB 3.25Å; Q99-A103 WeakPolarHBondContact O-CB 3.27Å; Q99-A103 PolarHBondContact O-N 2.71Å; Q99-L109 HydrophobicContact CG-CD2 4.28Å
100	T	66.9	Low	56.9	Low	76 Å²	76	86.7 Å²	86.7	47%	0.466	49%	0.485	S	S	.	.	H	α-helix	trans	-63.4	-46.5	175.3	-60.3	0	0	0	0	111.2	T96 I97 F98 V102 A103 E104	T96-T100 PolarHBondContact O-N 3.45Å; T96-T100 PolarHBondContact O-OG1 3.13Å; T96-T100 VanDerWaalsContact O-OG1 3.04Å; I97-T100 PolarHBondContact O-N 2.97Å; F98-T100 VanDerWaalsContact C-N 3.32Å; F98-T100 PolarHBondContact O-N 3.05Å; T100-V102 VanDerWaalsContact C-N 3.29Å; T100-V102 PolarHBondContact O-N 2.91Å; T100-A103 PolarHBondContact O-N 2.95Å; T100-E104 WeakPolarHBondContact O-CB 3.29Å; T100-E104 PolarHBondContact O-N 3.37Å
101	I	63.2	Low	56.1	Low	54 Å²	54	84 Å²	84	28%	0.277	48%	0.48	S	S	.	.	H	α-helix	trans	-59	-45	176.9	-68	165.6	0	0	0	110.5	V7 I97 F98 A105	V7-I101 HydrophobicContact CG1-CB 4.43Å; V7-I101 HydrophobicContact CG1-CG1 4.03Å; V7-I101 HydrophobicContact CG1-CG2 4.12Å; I97-I101 HydrophobicContact CG2-CD1 3.84Å; I97-I101 HydrophobicContact CG2-CG1 4.4Å; I97-I101 VanDerWaalsContact O-CG1 3.29Å; I97-I101 WeakPolarHBondContact O-CG1 3.34Å; I97-I101 PolarHBondContact O-N 3.24Å; F98-I101 PolarHBondContact O-N 2.77Å; I101-A105 WeakPolarHBondContact O-CB 3.27Å; I101-A105 PolarHBondContact O-N 3.09Å
102	V	59.9	Low	55.5	Low	12 Å²	12	82.8 Å²	82.8	7%	0.073	49%	0.488	C	S	.	.	H	α-helix	trans	-64.3	-47.9	179.7	168.4	0	0	0	0	109.6	F98 Q99 T100 M107 L109	F98-V102 HydrophobicContact CD1-CG2 4.09Å; F98-V102 HydrophobicContact CE1-CG2 3.76Å; F98-V102 HydrophobicContact CE2-CG2 4.3Å; F98-V102 HydrophobicContact CZ-CG2 3.87Å; F98-V102 WeakPolarHBondContact O-CB 3.49Å; F98-V102 WeakPolarHBondContact O-CG2 3.33Å; F98-V102 PolarHBondContact O-N 3.04Å; Q99-V102 PolarHBondContact O-N 3.04Å; T100-V102 VanDerWaalsContact C-N 3.29Å; T100-V102 PolarHBondContact O-N 2.91Å; V102-M107 CarbonylContact C-O 3.19Å; V102-M107 HydrophobicContact CB-CB 4.42Å; V102-M107 HydrophobicContact CG1-CB 3.87Å; V102-M107 WeakPolarHBondContact CG1-O 3.47Å; V102-M107 CarbonylContact O-C 3.29Å; V102-M107 VanDerWaalsContact O-C 3.29Å; V102-M107 WeakPolarHBondContact O-CA 3.39Å; V102-M107 WeakPolarHBondContact O-CB 3.34Å; V102-M107 PolarHBondContact O-N 3.02Å; V102-L109 HydrophobicContact CG1-CB 3.79Å
103	A	61.7	Low	54.6	Low	70 Å²	70	85.2 Å²	85.2	58%	0.579	50%	0.502	S	S	*	.	H	α-helix	trans	-64.1	-42.3	176.3	0	0	0	0	0	114	Q99 T100 G106	Q99-A103 VanDerWaalsContact O-CB 3.25Å; Q99-A103 WeakPolarHBondContact O-CB 3.27Å; Q99-A103 PolarHBondContact O-N 2.71Å; T100-A103 PolarHBondContact O-N 2.95Å; A103-G106 PolarHBondContact O-N 3.25Å
104	E	55.8	Low	53.3	Low	109 Å²	109	86.2 Å²	86.2	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-69.1	-40.9	-179.9	-175.8	-179.4	171.2	0	0	111.7	V7 T100 G106	V7-E104 WeakPolarHBondContact CG2-OE2 3.44Å; T100-E104 WeakPolarHBondContact O-CB 3.29Å; T100-E104 PolarHBondContact O-N 3.37Å; E104-G106 PolarHBondContact O-N 3.4Å
105	A	59.5	Low	52.1	Low	32 Å²	32	93.2 Å²	93.2	26%	0.264	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	10	172.4	0	0	0	0	0	113.3	I101 M107	I101-A105 WeakPolarHBondContact O-CB 3.27Å; I101-A105 PolarHBondContact O-N 3.09Å; A105-M107 HydrophobicContact CB-CG 3.76Å; A105-M107 HydrophobicContact CB-SD 3.8Å; A105-M107 PolarHBondContact O-N 3.5Å; A105-M107 VanDerWaalsContact O-N 3.08Å
106	G	43.9	Very low	50.9	Low	42 Å²	42	94.2 Å²	94.2	43%	0.433	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	9.1	-175.9	0	0	0	0	0	113.6	A103 E104 S108	A103-G106 PolarHBondContact O-N 3.25Å; E104-G106 PolarHBondContact O-N 3.4Å; G106-S108 PolarHBondContact O-N 3.03Å; G106-S108 VanDerWaalsContact O-N 3.08Å
107	M	48.4	Very low	49.6	Very low	53 Å²	53	98 Å²	98	26%	0.261	56%	0.563	S	S	.	*			trans	-82.3	85.5	179.1	-49.2	171.7	76.8	0	0	106.8	V102 A105 L109 L132	V102-M107 CarbonylContact C-O 3.19Å; V102-M107 HydrophobicContact CB-CB 4.42Å; V102-M107 HydrophobicContact CG1-CB 3.87Å; V102-M107 WeakPolarHBondContact CG1-O 3.47Å; V102-M107 CarbonylContact O-C 3.29Å; V102-M107 VanDerWaalsContact O-C 3.29Å; V102-M107 WeakPolarHBondContact O-CA 3.39Å; V102-M107 WeakPolarHBondContact O-CB 3.34Å; V102-M107 PolarHBondContact O-N 3.02Å; A105-M107 HydrophobicContact CB-CG 3.76Å; A105-M107 HydrophobicContact CB-SD 3.8Å; A105-M107 PolarHBondContact O-N 3.5Å; A105-M107 VanDerWaalsContact O-N 3.08Å; M107-L109 PolarHBondContact O-N 2.87Å; M107-L132 HydrophobicContact CE-CD1 4.3Å
108	S	42.9	Very low	48.5	Very low	89 Å²	89	98.3 Å²	98.3	62%	0.622	58%	0.576	S	S	*	*			trans	-61	116.4	172.7	-174.1	0	0	0	0	109.7	G106 E110	G106-S108 PolarHBondContact O-N 3.03Å; G106-S108 VanDerWaalsContact O-N 3.08Å; S108-E110 PolarHBondContact O-N 3.06Å; S108-E110 PolarHBondContact OG-N 3.46Å
109	L	42.3	Very low	47.5	Very low	115 Å²	115	103 Å²	103	60%	0.602	60%	0.6	S	S	*	*			trans	-74.3	-7.2	170.2	-166.5	61.8	0	0	0	111.4	Q99 V102 M107 G111	Q99-L109 HydrophobicContact CG-CD2 4.28Å; V102-L109 HydrophobicContact CG1-CB 3.79Å; M107-L109 PolarHBondContact O-N 2.87Å; L109-G111 PolarHBondContact O-N 3.35Å
110	E	40.7	Very low	46.5	Very low	177 Å²	177	107 Å²	107	83%	0.827	62%	0.618	S	S	*	*			trans	-69.5	102	177.8	-74.2	-164.6	101.3	0	0	110.8	S108	S108-E110 PolarHBondContact O-N 3.06Å; S108-E110 PolarHBondContact OG-N 3.46Å
111	G	36.4	Very low	45	Very low	58 Å²	58	107.4 Å²	107.4	60%	0.598	64%	0.637	S	S	*	*				71	88.9	123.6	0	0	0	0	0	114.7	L109 T113	L109-G111 PolarHBondContact O-N 3.35Å; G111-T113 VanDerWaalsContact C-N 3.34Å; G111-T113 PolarHBondContact O-N 2.74Å
112	S	40.3	Very low	43.8	Very low	124 Å²	124	108.9 Å²	108.9	87%	0.867	65%	0.652	S	S	*	*			trans	-28.7	99.7	132.1	153.3	0	0	0	0	111.2
113	T	36.4	Very low	42.9	Very low	128 Å²	128	116.8 Å²	116.8	79%	0.785	69%	0.694	S	S	*	*			trans	-158	123.4	138.8	44.2	0	0	0	0	110.1	G111	G111-T113 VanDerWaalsContact C-N 3.34Å; G111-T113 PolarHBondContact O-N 2.74Å
114	A	38.5	Very low	42	Very low	98 Å²	98	117.6 Å²	117.6	81%	0.81	69%	0.689	S	S	*	*			trans	65.5	101	150	0	0	0	0	0	118.1
115	R	32.1	Very low	41.5	Very low	237 Å²	237	121.1 Å²	121.1	89%	0.894	71%	0.706	S	S	*	*				137.2	102.2	98.6	-172.8	162	-178.6	168.9	-0.1	109.9
116	D	37.8	Very low	40.3	Very low	155 Å²	155	123.7 Å²	123.7	83%	0.829	72%	0.718	S	S	*	*			trans	-32.3	147	151.4	-138.8	-4	0	0	0	113
117	D	41.5	Very low	40.2	Very low	154 Å²	154	127.7 Å²	127.7	82%	0.824	73%	0.725	S	S	*	*			trans	98.5	103.9	160.7	-150	15.8	0	0	0	117.7
118	A	44.6	Very low	39.6	Very low	82 Å²	82	131.6 Å²	131.6	68%	0.678	75%	0.746	S	S	*	*				135	94.5	128.6	0	0	0	0	0	113.7
119	E	40.9	Very low	39.4	Very low	192 Å²	192	132.1 Å²	132.1	90%	0.897	74%	0.741	S	S	*	*			trans	25.6	99.1	136.5	-54.5	-65	134.5	0	0	117.9
120	E	42.2	Very low	39.7	Very low	190 Å²	190	130.2 Å²	130.2	89%	0.888	73%	0.729	S	S	*	*			trans	-144.5	120.7	146.7	-153.3	162.6	-159.8	0	0	109.7	S122	E120-S122 PolarHBondContact O-N 2.75Å
121	G	35.8	Very low	40.3	Very low	84 Å²	84	130.9 Å²	130.9	87%	0.866	73%	0.729	S	S	*	*			trans	-62.7	106	179.6	0	0	0	0	0	110.8
122	S	37.6	Very low	40.9	Very low	85 Å²	85	130.6 Å²	130.6	59%	0.594	71%	0.713	S	S	*	*			trans	-107.1	96.3	165.3	164.4	0	0	0	0	108	E120 N124	E120-S122 PolarHBondContact O-N 2.75Å; S122-N124 PolarHBondContact O-N 3.43Å; S122-N124 WeakPolarHBondContact OG-CB 3.31Å; S122-N124 PolarHBondContact OG-N 3.16Å
123	D	42.4	Very low	41.9	Very low	178 Å²	178	132 Å²	132	95%	0.952	70%	0.704	S	S	*	*			trans	-68.5	36	163.1	-135.5	12.3	0	0	0	110.6	E125	D123-E125 PolarHBondContact O-N 3.33Å
124	N	42.5	Very low	43.1	Very low	87 Å²	87	134.5 Å²	134.5	47%	0.465	71%	0.707	S	S	.	*			trans	-77.7	119.4	168.3	-176.1	52.8	0	0	0	104.7	S122 T126	S122-N124 PolarHBondContact O-N 3.43Å; S122-N124 WeakPolarHBondContact OG-CB 3.31Å; S122-N124 PolarHBondContact OG-N 3.16Å; N124-T126 HydrophobicContact CB-CG2 3.81Å; N124-T126 WeakPolarHBondContact ND2-CG2 3.45Å; N124-T126 WeakPolarHBondContact O-CA 3.21Å; N124-T126 WeakPolarHBondContact O-CB 3.44Å; N124-T126 WeakPolarHBondContact O-CG2 3.37Å; N124-T126 PolarHBondContact O-N 3.39Å; N124-T126 PolarHBondContact O-OG1 3.19Å
125	E	44.2	Very low	44.1	Very low	184 Å²	184	135.7 Å²	135.7	86%	0.86	70%	0.695	S	S	*	*			trans	-25.5	49.8	138.3	45.7	-173	78.8	0	0	114.2	D123 E127	D123-E125 PolarHBondContact O-N 3.33Å; E125-E127 VanDerWaalsContact C-N 3.28Å; E125-E127 PolarHBondContact O-N 3.25Å
126	T	35.1	Very low	45.3	Very low	85 Å²	85	125.2 Å²	125.2	52%	0.521	66%	0.657	S	S	.	*			trans	-73.2	89.4	-177.7	36.1	0	0	0	0	105.1	N124 I128	N124-T126 HydrophobicContact CB-CG2 3.81Å; N124-T126 WeakPolarHBondContact ND2-CG2 3.45Å; N124-T126 WeakPolarHBondContact O-CA 3.21Å; N124-T126 WeakPolarHBondContact O-CB 3.44Å; N124-T126 WeakPolarHBondContact O-CG2 3.37Å; N124-T126 PolarHBondContact O-N 3.39Å; N124-T126 PolarHBondContact O-OG1 3.19Å; T126-I128 PolarHBondContact O-N 3.28Å
127	E	41.2	Very low	46.4	Very low	126 Å²	126	119.9 Å²	119.9	59%	0.589	63%	0.63	S	S	*	*				10.5	93.1	125.2	-170.1	165.2	-146.7	0	0	110.5	E125 I129	E125-E127 VanDerWaalsContact C-N 3.28Å; E125-E127 PolarHBondContact O-N 3.25Å; E127-I129 PolarHBondContact O-N 2.72Å
128	I	37.5	Very low	47.3	Very low	136 Å²	136	114.1 Å²	114.1	70%	0.697	61%	0.607	S	S	*	*			trans	-60.5	84.9	179	42.1	160.1	0	0	0	108.3	T126 Q130	T126-I128 PolarHBondContact O-N 3.28Å; I128-Q130 HydrophobicContact CB-CG 4.3Å; I128-Q130 PolarHBondContact O-N 2.99Å
129	I	38.5	Very low	48.2	Very low	100 Å²	100	115.3 Å²	115.3	51%	0.513	59%	0.594	S	S	.	*			trans	-67.3	79.3	167.5	-57.7	170.3	0	0	0	105.8	E127 K131	E127-I129 PolarHBondContact O-N 2.72Å; I129-K131 PolarHBondContact O-N 3.45Å; I129-K131 VanDerWaalsContact O-N 3.11Å
130	Q	46.7	Very low	49.5	Very low	74 Å²	74	107.3 Å²	107.3	35%	0.346	56%	0.558	S	S	.	*			trans	-69.6	109.1	175.1	-72.2	-174.3	7.4	0	0	107	M18 I128 L132	M18-Q130 PolarHBondContact SD-OE1 3.32Å; I128-Q130 HydrophobicContact CB-CG 4.3Å; I128-Q130 PolarHBondContact O-N 2.99Å; Q130-L132 PolarHBondContact O-N 2.84Å
131	K	54.5	Low	50.4	Low	192 Å²	192	102.2 Å²	102.2	84%	0.835	54%	0.535	S	S	*	.			trans	-59.9	105.4	171.4	-65	-173.9	178	-178.1	0	108.3	I129 K133	I129-K131 PolarHBondContact O-N 3.45Å; I129-K131 VanDerWaalsContact O-N 3.11Å; K131-K133 PolarHBondContact O-N 3.11Å
132	L	49.8	Very low	51.8	Low	52 Å²	52	102.4 Å²	102.4	27%	0.272	52%	0.519	S	S	.	.			trans	-62.8	129.1	170.1	-71.3	170.8	0	0	0	108.5	L15 M18 M107 Q130 D136 V137 I140	L15-L132 HydrophobicContact CD2-CD1 4.42Å; L15-L132 HydrophobicContact CD2-CD2 3.7Å; M18-L132 HydrophobicContact CE-CD2 4.37Å; M107-L132 HydrophobicContact CE-CD1 4.3Å; Q130-L132 PolarHBondContact O-N 2.84Å; L132-D136 HydrophobicContact CB-CB 4.27Å; L132-D136 HydrophobicContact CD2-CB 3.75Å; L132-V137 HydrophobicContact CB-CG2 4.23Å; L132-I140 HydrophobicContact CD1-CD1 3.94Å; L132-I140 HydrophobicContact CD2-CD1 4.44Å
133	K	60.6	Low	52.7	Low	152 Å²	152	102 Å²	102	66%	0.661	51%	0.509	S	S	*	.			trans	-73	156.7	170.2	-64.7	177.5	179.3	173.6	0	108.5	K131 E135 D136 V137	K131-K133 PolarHBondContact O-N 3.11Å; K133-E135 PolarHBondContact O-N 2.95Å; K133-E135 VanDerWaalsContact O-N 3.11Å; K133-D136 WeakPolarHBondContact CB-OD2 3.32Å; K133-D136 PolarHBondContact N-OD2 3.41Å; K133-D136 WeakPolarHBondContact O-CA 3.15Å; K133-D136 WeakPolarHBondContact O-CB 3.25Å; K133-D136 PolarHBondContact O-N 3.04Å; K133-V137 PolarHBondContact O-N 2.96Å; K133-V137 VanDerWaalsContact O-N 3.16Å
134	E	60.4	Low	53.5	Low	181 Å²	181	97.9 Å²	97.9	85%	0.846	49%	0.486	S	S	*	.	H	α-helix	trans	-51.9	-35.9	175.4	-173.5	-177.9	166.2	0	0	112.1	D136 V137 G138	E134-D136 VanDerWaalsContact C-N 3.34Å; E134-D136 PolarHBondContact O-N 2.91Å; E134-V137 PolarHBondContact O-N 3.33Å; E134-G138 PolarHBondContact O-N 2.94Å
135	E	61.3	Low	53.8	Low	123 Å²	123	100.4 Å²	100.4	58%	0.575	49%	0.493	S	S	*	.	H	α-helix	trans	-62	-38.1	174	-169.5	-172.2	158.3	0	0	113	K133 G138 R139	K133-E135 PolarHBondContact O-N 2.95Å; K133-E135 VanDerWaalsContact O-N 3.11Å; E135-G138 PolarHBondContact O-N 2.77Å; E135-R139 WeakPolarHBondContact O-CG 3.49Å; E135-R139 PolarHBondContact O-N 2.8Å; E135-R139 IonicContact OE1-CZ 3.29Å; E135-R139 VanDerWaalsContact OE1-CZ 3.29Å; E135-R139 IonicContact OE1-NH1 2.71Å; E135-R139 PolarHBondContact OE1-NH1 2.97Å; E135-R139 IonicContact OE1-NH2 3.95Å; E135-R139 PolarHBondContact OE1-NH2 2.91Å; E135-R139 IonicContact OE2-NH2 2.72Å
136	D	57	Low	54.4	Low	18 Å²	18	95.6 Å²	95.6	10%	0.096	48%	0.478	C	S	.	.	H	α-helix	trans	-69.7	-38.5	178.6	-57.6	-43.5	0	0	0	111	L132 K133 E134 G138 R139 I140	L132-D136 HydrophobicContact CB-CB 4.27Å; L132-D136 HydrophobicContact CD2-CB 3.75Å; K133-D136 WeakPolarHBondContact CB-OD2 3.32Å; K133-D136 PolarHBondContact N-OD2 3.41Å; K133-D136 WeakPolarHBondContact O-CA 3.15Å; K133-D136 WeakPolarHBondContact O-CB 3.25Å; K133-D136 PolarHBondContact O-N 3.04Å; E134-D136 VanDerWaalsContact C-N 3.34Å; E134-D136 PolarHBondContact O-N 2.91Å; D136-G138 VanDerWaalsContact C-N 3.33Å; D136-R139 WeakPolarHBondContact O-CB 3.19Å; D136-R139 PolarHBondContact O-N 3.4Å; D136-R139 IonicContact OD1-CZ 3.49Å; D136-R139 IonicContact OD1-NE 3.45Å; D136-R139 PolarHBondContact OD1-NE 3.23Å; D136-R139 IonicContact OD1-NH2 3.45Å; D136-R139 PolarHBondContact OD1-NH2 2.87Å; D136-I140 VanDerWaalsContact O-CG1 3.31Å; D136-I140 WeakPolarHBondContact O-CG1 3.12Å; D136-I140 PolarHBondContact O-N 2.73Å
137	V	60.2	Low	55	Low	42 Å²	42	95.9 Å²	95.9	26%	0.255	47%	0.472	S	S	.	.	H	α-helix	trans	-62.1	-44.1	172.1	-178.3	0	0	0	0	110.3	L132 K133 E134 R139 I140 I141	L132-V137 HydrophobicContact CB-CG2 4.23Å; K133-V137 PolarHBondContact O-N 2.96Å; K133-V137 VanDerWaalsContact O-N 3.16Å; E134-V137 PolarHBondContact O-N 3.33Å; V137-R139 VanDerWaalsContact C-N 3.31Å; V137-R139 PolarHBondContact O-N 3.3Å; V137-I140 PolarHBondContact O-N 2.96Å; V137-I141 HydrophobicContact CG1-CD1 3.88Å; V137-I141 HydrophobicContact CG1-CG1 4.44Å; V137-I141 VanDerWaalsContact O-CG1 3.31Å; V137-I141 WeakPolarHBondContact O-CG1 3.48Å; V137-I141 PolarHBondContact O-N 3.4Å
138	G	60	Low	55	Low	34 Å²	34	94.2 Å²	94.2	35%	0.351	48%	0.48	S	S	.	.	H	α-helix	trans	-57.2	-42.8	174.3	0	0	0	0	0	112.6	E134 E135 D136 I141 V142	E134-G138 PolarHBondContact O-N 2.94Å; E135-G138 PolarHBondContact O-N 2.77Å; D136-G138 VanDerWaalsContact C-N 3.33Å; G138-I141 PolarHBondContact O-N 2.87Å; G138-V142 WeakPolarHBondContact O-CG2 3.17Å; G138-V142 PolarHBondContact O-N 3.2Å
139	R	64.8	Low	55.1	Low	106 Å²	106	97.6 Å²	97.6	40%	0.4	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-45.9	175.2	-76.5	-171.5	-92.3	-108.1	-1.6	112.6	E135 D136 V137 I141 V142 Q143	E135-R139 WeakPolarHBondContact O-CG 3.49Å; E135-R139 PolarHBondContact O-N 2.8Å; E135-R139 IonicContact OE1-CZ 3.29Å; E135-R139 VanDerWaalsContact OE1-CZ 3.29Å; E135-R139 IonicContact OE1-NH1 2.71Å; E135-R139 PolarHBondContact OE1-NH1 2.97Å; E135-R139 IonicContact OE1-NH2 3.95Å; E135-R139 PolarHBondContact OE1-NH2 2.91Å; E135-R139 IonicContact OE2-NH2 2.72Å; D136-R139 WeakPolarHBondContact O-CB 3.19Å; D136-R139 PolarHBondContact O-N 3.4Å; D136-R139 IonicContact OD1-CZ 3.49Å; D136-R139 IonicContact OD1-NE 3.45Å; D136-R139 PolarHBondContact OD1-NE 3.23Å; D136-R139 IonicContact OD1-NH2 3.45Å; D136-R139 PolarHBondContact OD1-NH2 2.87Å; V137-R139 VanDerWaalsContact C-N 3.31Å; V137-R139 PolarHBondContact O-N 3.3Å; R139-I141 VanDerWaalsContact C-N 3.35Å; R139-I141 PolarHBondContact O-N 3.45Å; R139-V142 PolarHBondContact O-N 2.85Å; R139-Q143 PolarHBondContact O-N 2.97Å
140	I	66.5	Low	55.9	Low	25 Å²	25	97.5 Å²	97.5	13%	0.128	50%	0.498	C	S	.	.	H	α-helix	trans	-61.4	-44.6	178.6	-68.3	163	0	0	0	110.4	C14 L15 L132 D136 V137 V142 Q143 L144	C14-I140 HydrophobicContact CB-CG2 4.17Å; L15-I140 HydrophobicContact CD2-CD1 4.13Å; L132-I140 HydrophobicContact CD1-CD1 3.94Å; L132-I140 HydrophobicContact CD2-CD1 4.44Å; D136-I140 VanDerWaalsContact O-CG1 3.31Å; D136-I140 WeakPolarHBondContact O-CG1 3.12Å; D136-I140 PolarHBondContact O-N 2.73Å; V137-I140 PolarHBondContact O-N 2.96Å; I140-V142 PolarHBondContact O-N 2.58Å; I140-Q143 PolarHBondContact O-N 2.72Å; I140-L144 HydrophobicContact CG2-CD1 3.96Å; I140-L144 HydrophobicContact CG2-CG 4.42Å; I140-L144 WeakPolarHBondContact O-CG 2.85Å; I140-L144 PolarHBondContact O-N 3.08Å
141	I	62.2	Low	56.4	Low	82 Å²	82	98.7 Å²	98.7	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-61.9	-43.3	177.8	-68.6	168.4	0	0	0	111.2	V137 G138 R139 L144 K145	V137-I141 HydrophobicContact CG1-CD1 3.88Å; V137-I141 HydrophobicContact CG1-CG1 4.44Å; V137-I141 VanDerWaalsContact O-CG1 3.31Å; V137-I141 WeakPolarHBondContact O-CG1 3.48Å; V137-I141 PolarHBondContact O-N 3.4Å; G138-I141 PolarHBondContact O-N 2.87Å; R139-I141 VanDerWaalsContact C-N 3.35Å; R139-I141 PolarHBondContact O-N 3.45Å; I141-L144 PolarHBondContact O-N 3.08Å; I141-K145 HydrophobicContact CG2-CD 4.39Å; I141-K145 WeakPolarHBondContact O-CG 3.16Å; I141-K145 PolarHBondContact O-N 3.11Å
142	V	64	Low	56.5	Low	88 Å²	88	93.5 Å²	93.5	53%	0.533	49%	0.487	S	S	.	.	H	α-helix	trans	-63.9	-42.7	177.6	171.1	0	0	0	0	110.8	G138 R139 I140 K145 C146	G138-V142 WeakPolarHBondContact O-CG2 3.17Å; G138-V142 PolarHBondContact O-N 3.2Å; R139-V142 PolarHBondContact O-N 2.85Å; I140-V142 PolarHBondContact O-N 2.58Å; V142-K145 WeakPolarHBondContact O-CB 3.2Å; V142-K145 PolarHBondContact O-N 3.03Å; V142-C146 PolarHBondContact O-N 2.84Å; V142-C146 PolarHBondContact O-SG 3.43Å
143	Q	57.7	Low	56.9	Low	78 Å²	78	95.9 Å²	95.9	36%	0.364	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-45.7	176	-79.5	-176.2	-27.5	0	0	112.1	C14 R139 I140 K145 C146 F147	C14-Q143 PolarHBondContact O-OE1 3.31Å; R139-Q143 PolarHBondContact O-N 2.97Å; I140-Q143 PolarHBondContact O-N 2.72Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 3.41Å; Q143-C146 WeakPolarHBondContact O-CA 3.21Å; Q143-C146 WeakPolarHBondContact O-CB 3.41Å; Q143-C146 PolarHBondContact O-N 2.9Å; Q143-F147 HydrophobicContact CB-CE2 4.48Å; Q143-F147 WeakPolarHBondContact O-CD2 3.38Å; Q143-F147 PolarHBondContact O-N 3.32Å
144	L	58.2	Low	56.6	Low	90 Å²	90	92.4 Å²	92.4	47%	0.471	49%	0.49	S	S	.	.	H	α-helix	trans	-58.7	-40.4	175.1	-73.1	171	0	0	0	111.8	I140 I141 C146 F147 A148	I140-L144 HydrophobicContact CG2-CD1 3.96Å; I140-L144 HydrophobicContact CG2-CG 4.42Å; I140-L144 WeakPolarHBondContact O-CG 2.85Å; I140-L144 PolarHBondContact O-N 3.08Å; I141-L144 PolarHBondContact O-N 3.08Å; L144-C146 VanDerWaalsContact C-N 3.34Å; L144-C146 PolarHBondContact O-N 2.78Å; L144-F147 PolarHBondContact O-N 3.42Å; L144-A148 PolarHBondContact O-N 3.05Å
145	K	50.3	Low	56.4	Low	141 Å²	141	86.5 Å²	86.5	61%	0.613	47%	0.466	S	S	*	.	H	α-helix	trans	-63.9	-36.9	172.7	-75.4	-178.5	177.2	-176.7	0	112.8	I141 V142 Q143 F147 A148	I141-K145 HydrophobicContact CG2-CD 4.39Å; I141-K145 WeakPolarHBondContact O-CG 3.16Å; I141-K145 PolarHBondContact O-N 3.11Å; V142-K145 WeakPolarHBondContact O-CB 3.2Å; V142-K145 PolarHBondContact O-N 3.03Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 3.41Å; K145-F147 VanDerWaalsContact C-N 3.25Å; K145-F147 PolarHBondContact O-N 2.94Å; K145-A148 PolarHBondContact O-N 2.86Å
146	C	55.3	Low	56	Low	82 Å²	82	83.9 Å²	83.9	55%	0.554	46%	0.459	S	S	*	.	H	α-helix	trans	-68	-23.2	174.9	-69.9	0	0	0	0	113.3	V142 Q143 L144	V142-C146 PolarHBondContact O-N 2.84Å; V142-C146 PolarHBondContact O-SG 3.43Å; Q143-C146 WeakPolarHBondContact O-CA 3.21Å; Q143-C146 WeakPolarHBondContact O-CB 3.41Å; Q143-C146 PolarHBondContact O-N 2.9Å; L144-C146 VanDerWaalsContact C-N 3.34Å; L144-C146 PolarHBondContact O-N 2.78Å
147	F	48	Very low	56	Low	91 Å²	91	89 Å²	89	40%	0.399	49%	0.487	S	S	.	.	H	α-helix	trans	-83.5	-17.9	175.5	-76	-66.9	0	0	0	113.7	F45 Q143 L144 K145 L149	F45-F147 HydrophobicContact CD1-CB 4.32Å; F45-F147 HydrophobicContact CD1-CD1 4.34Å; F45-F147 HydrophobicContact CD2-CD1 4.1Å; F45-F147 HydrophobicContact CD2-CE1 4.42Å; F45-F147 HydrophobicContact CE1-CB 3.56Å; F45-F147 AromaticContact CE1-CD1 3.7Å; F45-F147 HydrophobicContact CE1-CD1 3.7Å; F45-F147 AromaticContact CE1-CG 3.82Å; F45-F147 HydrophobicContact CE1-CG 3.82Å; F45-F147 AromaticContact CE2-CD1 3.38Å; F45-F147 HydrophobicContact CE2-CD1 3.38Å; F45-F147 AromaticContact CE2-CE1 3.57Å; F45-F147 HydrophobicContact CE2-CE1 3.57Å; F45-F147 HydrophobicContact CE2-CG 4.21Å; F45-F147 HydrophobicContact CZ-CB 3.82Å; F45-F147 AromaticContact CZ-CD1 3.15Å; F45-F147 HydrophobicContact CZ-CD1 3.15Å; F45-F147 HydrophobicContact CZ-CD2 4.29Å; F45-F147 AromaticContact CZ-CE1 3.7Å; F45-F147 HydrophobicContact CZ-CE1 3.7Å; F45-F147 AromaticContact CZ-CG 3.51Å; F45-F147 HydrophobicContact CZ-CG 3.51Å; F45-F147 HydrophobicContact CZ-CZ 4.47Å; Q143-F147 HydrophobicContact CB-CE2 4.48Å; Q143-F147 WeakPolarHBondContact O-CD2 3.38Å; Q143-F147 PolarHBondContact O-N 3.32Å; L144-F147 PolarHBondContact O-N 3.42Å; K145-F147 VanDerWaalsContact C-N 3.25Å; K145-F147 PolarHBondContact O-N 2.94Å; F147-L149 VanDerWaalsContact C-N 3.32Å
148	A	41.3	Very low	55.6	Low	91 Å²	91	92.9 Å²	92.9	75%	0.752	51%	0.506	S	S	*	.			trans	-86.2	-1.4	174.6	0	0	0	0	0	113.5	L144 K145	L144-A148 PolarHBondContact O-N 3.05Å; K145-A148 PolarHBondContact O-N 2.86Å
149	L	39	Very low	55.2	Low	207 Å²	207	98.3 Å²	98.3	100%	1.084	52%	0.52	S	S	*	.			trans	-112.6	0	177.6	-97.7	158.3	0	0	0	110.2	F147	F147-L149 VanDerWaalsContact C-N 3.32Å

Retrieved 149 of 149 residues in 563.3 ms (Link to these results)

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