A0A077Z8Q2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8Q2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 190 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	32.7	Very low	34.2	Very low	225 Å²	225	149.5 Å²	149.5	100%	1.108	79%	0.789	S	S	*	*				0	98.7	0	-75.1	172.7	143.1	0	0	105.8
2	L	30.3	Very low	34.3	Very low	143 Å²	143	147.2 Å²	147.2	75%	0.749	79%	0.785	S	S	*	*				74.6	116.5	100.4	-72.5	158.5	0	0	0	108.3
3	D	28.5	Very low	34.4	Very low	146 Å²	146	142.8 Å²	142.8	78%	0.781	77%	0.773	S	S	*	*			cis	-167.6	147.5	32.2	-104.3	-42.1	0	0	0	111.4
4	G	34	Very low	34.1	Very low	63 Å²	63	142.9 Å²	142.9	65%	0.649	77%	0.771	S	S	*	*				83.4	35.8	121.8	0	0	0	0	0	121.5	E6	G4-E6 PolarHBondContact O-N 2.77Å
5	D	33	Very low	33.7	Very low	167 Å²	167	141 Å²	141	89%	0.893	77%	0.771	S	S	*	*			trans	-70.3	73.9	168.5	-98.2	-20.9	0	0	0	111.8	K7	D5-K7 VanDerWaalsContact C-N 3.32Å; D5-K7 PolarHBondContact O-N 3.42Å
6	E	36.2	Very low	33.3	Very low	171 Å²	171	144.2 Å²	144.2	80%	0.799	78%	0.775	S	S	*	*			trans	-60.8	93.5	160.1	-76.1	-168.4	153.6	0	0	108.8	G4 K8	G4-E6 PolarHBondContact O-N 2.77Å; E6-K8 PolarHBondContact O-N 3.41Å
7	K	40.1	Very low	32.9	Very low	193 Å²	193	146.5 Å²	146.5	84%	0.839	78%	0.777	S	S	*	*			trans	-59	87.6	166	-82	-178.3	176	175.6	0	110	D5 I9	D5-K7 VanDerWaalsContact C-N 3.32Å; D5-K7 PolarHBondContact O-N 3.42Å; K7-I9 VanDerWaalsContact C-N 3.33Å; K7-I9 PolarHBondContact O-N 2.94Å
8	K	36.5	Very low	32.6	Very low	191 Å²	191	149.2 Å²	149.2	83%	0.83	78%	0.781	S	S	*	*			trans	-61.7	95	156.4	-88.5	179.2	177.3	170	0	108.2	E6 S10	E6-K8 PolarHBondContact O-N 3.41Å; K8-S10 PolarHBondContact O-N 2.75Å; K8-S10 VanDerWaalsContact O-N 3.15Å
9	I	35.4	Very low	32.4	Very low	143 Å²	143	147.7 Å²	147.7	73%	0.733	78%	0.779	S	S	*	*			trans	-66.7	107.7	169.3	-62.1	169.8	0	0	0	107.3	K7 V11	K7-I9 VanDerWaalsContact C-N 3.33Å; K7-I9 PolarHBondContact O-N 2.94Å; I9-V11 PolarHBondContact O-N 3.15Å
10	S	32.7	Very low	32	Very low	73 Å²	73	150.2 Å²	150.2	51%	0.51	78%	0.783	S	S	.	*			trans	-73.2	121.4	172.8	66.4	0	0	0	0	109.7	K8 T12	K8-S10 PolarHBondContact O-N 2.75Å; K8-S10 VanDerWaalsContact O-N 3.15Å; S10-T12 PolarHBondContact O-N 3.09Å; S10-T12 VanDerWaalsContact O-N 3.09Å
11	V	36.6	Very low	31.7	Very low	130 Å²	130	148.4 Å²	148.4	79%	0.788	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	1.7	-173.2	-177.1	0	0	0	0	112.6	I9	I9-V11 PolarHBondContact O-N 3.15Å
12	T	35.2	Very low	31.5	Very low	121 Å²	121	146.1 Å²	146.1	74%	0.742	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-4.7	-170.6	23.6	0	0	0	0	115.1	S10	S10-T12 PolarHBondContact O-N 3.09Å; S10-T12 VanDerWaalsContact O-N 3.09Å
13	S	36.4	Very low	31.5	Very low	90 Å²	90	150.6 Å²	150.6	63%	0.629	78%	0.779	S	S	*	*	S	Bend	trans	-90.6	-11.9	-178.1	65.8	0	0	0	0	115.1
14	I	30.2	Very low	31.5	Very low	144 Å²	144	149.2 Å²	149.2	74%	0.738	78%	0.775	S	S	*	*	S	Bend	trans	-90.9	-12.4	-173.2	-61.2	172.9	0	0	0	112.8
15	C	27.3	Very low	31.4	Very low	115 Å²	115	151.3 Å²	151.3	78%	0.777	78%	0.779	S	S	*	*	S	Bend	trans	-106.6	12	-170.4	-68.6	0	0	0	0	116
16	K	27.6	Very low	31.3	Very low	192 Å²	192	154.3 Å²	154.3	84%	0.835	78%	0.778	S	S	*	*			trans	-109.9	85.8	174.5	-91.6	-174.1	175	-179.9	0	111
17	K	27.2	Very low	31.3	Very low	184 Å²	184	155.9 Å²	155.9	80%	0.8	78%	0.776	S	S	*	*	S	Bend	trans	171	142.5	141.4	-97.2	169.5	-179.8	-177.2	0	108.9
18	F	27.2	Very low	30.9	Very low	195 Å²	195	153.6 Å²	153.6	86%	0.855	77%	0.773	S	S	*	*			trans	97	87	171.5	-58.8	-75.5	0	0	0	117.1
19	T	28.3	Very low	30.9	Very low	121 Å²	121	151.8 Å²	151.8	74%	0.742	77%	0.772	S	S	*	*			trans	-61.3	145.6	150.8	29.5	0	0	0	0	111.9
20	F	25.2	Very low	30.9	Very low	196 Å²	196	152.8 Å²	152.8	86%	0.86	77%	0.766	S	S	*	*	S	Bend	trans	86	109.9	171.9	-61.7	-79.4	0	0	0	119.1
21	S	25.8	Very low	31	Very low	113 Å²	113	160.1 Å²	160.1	79%	0.79	78%	0.783	S	S	*	*	S	Bend	trans	54.8	79.9	160.6	68.6	0	0	0	0	118.8
22	E	28	Very low	30.9	Very low	178 Å²	178	161 Å²	161	83%	0.832	77%	0.772	S	S	*	*			trans	161.9	105.8	136.4	-91.6	175.4	179.8	0	0	109.4	V24	E22-V24 PolarHBondContact O-N 3.45Å; E22-V24 VanDerWaalsContact O-N 3.12Å
23	Y	30	Very low	30.9	Very low	237 Å²	237	160 Å²	160	93%	0.929	76%	0.761	S	S	*	*			trans	-79.1	94.1	177.2	-82.4	-90.6	0	0	0	110.5	C25	Y23-C25 PolarHBondContact O-N 2.72Å
24	V	29.5	Very low	30.8	Very low	117 Å²	117	162.3 Å²	162.3	71%	0.709	76%	0.757	S	S	*	*			trans	-85.1	87.4	164	-175.4	0	0	0	0	108.9	E22 R26	E22-V24 PolarHBondContact O-N 3.45Å; E22-V24 VanDerWaalsContact O-N 3.12Å; V24-R26 HydrophobicContact CG1-CG 4.21Å; V24-R26 PolarHBondContact O-N 2.98Å
25	C	30.4	Very low	31	Very low	106 Å²	106	159.8 Å²	159.8	72%	0.716	74%	0.744	S	S	*	*			trans	-82.2	91.3	171.2	-152.6	0	0	0	0	109.3	Y23 R27	Y23-C25 PolarHBondContact O-N 2.72Å; C25-R27 PolarHBondContact O-N 3.38Å; C25-R27 VanDerWaalsContact O-N 3.12Å
26	R	31.7	Very low	31.1	Very low	231 Å²	231	161.7 Å²	161.7	87%	0.872	75%	0.747	S	S	*	*			trans	-68.8	98.5	171.9	-85.1	-177.5	174.5	178.6	-2.7	110.3	V24	V24-R26 HydrophobicContact CG1-CG 4.21Å; V24-R26 PolarHBondContact O-N 2.98Å
27	R	36.8	Very low	31.3	Very low	203 Å²	203	156.3 Å²	156.3	77%	0.766	75%	0.745	S	S	*	*			trans	-143.1	117.6	155.9	-81.8	-171.5	179.6	168	0	109.6	C25	C25-R27 PolarHBondContact O-N 3.38Å; C25-R27 VanDerWaalsContact O-N 3.12Å
28	N	32	Very low	31.2	Very low	146 Å²	146	154 Å²	154	78%	0.781	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	23.9	110.6	159.1	-65.4	-15.7	0	0	0	117.4	R30	N28-R30 PolarHBondContact O-N 3.12Å; N28-R30 VanDerWaalsContact O-N 3.14Å
29	L	35.3	Very low	31.4	Very low	153 Å²	153	147.7 Å²	147.7	80%	0.801	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	61.8	22.6	154.1	-83.8	152.2	0	0	0	118.2
30	R	35.9	Very low	31.4	Very low	164 Å²	164	146.1 Å²	146.1	62%	0.619	70%	0.703	S	S	*	*			trans	-130.5	106.5	168.2	-70.7	-172.2	-173.8	-177.1	5.1	111.5	N28 R32 E41	N28-R30 PolarHBondContact O-N 3.12Å; N28-R30 VanDerWaalsContact O-N 3.14Å; R30-R32 PolarHBondContact O-N 3.27Å; R30-E41 WeakPolarHBondContact CD-OE1 3.36Å; R30-E41 IonicContact CZ-OE1 3.36Å; R30-E41 IonicContact NE-OE1 3.67Å; R30-E41 IonicContact NH1-OE1 2.62Å; R30-E41 PolarHBondContact NH1-OE1 2.67Å
31	R	34.9	Very low	31.7	Very low	226 Å²	226	141.4 Å²	141.4	85%	0.853	68%	0.684	S	S	*	*			trans	-75.4	111	163.4	-97.4	-176.9	173.5	179.4	-2.6	107.8
32	R	34.5	Very low	32	Very low	149 Å²	149	142.4 Å²	142.4	56%	0.562	68%	0.679	S	S	*	*			trans	-84.5	124.3	164.9	-67.6	-177.2	-174.7	175.3	0.3	107.9	R30 Y34	R30-R32 PolarHBondContact O-N 3.27Å; R32-Y34 HydrophobicContact CB-CD2 4.35Å; R32-Y34 HydrophobicContact CB-CE2 3.78Å
33	I	35.6	Very low	32.3	Very low	101 Å²	101	138.2 Å²	138.2	52%	0.518	67%	0.665	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.2	126.9	167.4	-60	174.6	0	0	0	105.9	I35 I40	I33-I35 HydrophobicContact CG2-CD1 4.34Å; I33-I35 HydrophobicContact CG2-CG1 4.07Å; I33-I40 PolarHBondContact O-N 3.17Å
34	Y	33.4	Very low	32.6	Very low	137 Å²	137	132.4 Å²	132.4	54%	0.537	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.1	120	175.6	-71.8	-90	0	0	0	108.2	R32 C39	R32-Y34 HydrophobicContact CB-CD2 4.35Å; R32-Y34 HydrophobicContact CB-CE2 3.78Å; Y34-C39 HydrophobicContact CD1-CB 4.32Å; Y34-C39 HydrophobicContact CE1-CB 3.85Å
35	I	34.4	Very low	33.1	Very low	92 Å²	92	129.4 Å²	129.4	47%	0.472	63%	0.632	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.8	126.1	170.2	-60.5	176.2	0	0	0	105.8	I33 G37 Q38	I33-I35 HydrophobicContact CG2-CD1 4.34Å; I33-I35 HydrophobicContact CG2-CG1 4.07Å; I35-G37 VanDerWaalsContact C-N 3.31Å; I35-G37 PolarHBondContact O-N 3.45Å; I35-Q38 PolarHBondContact N-O 3.12Å; I35-Q38 PolarHBondContact O-N 3.37Å
36	N	30.1	Very low	33.6	Very low	155 Å²	155	129.6 Å²	129.6	83%	0.829	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.2	39.5	178.4	-62.1	-19.5	0	0	0	115.2	Q38	N36-Q38 PolarHBondContact O-N 2.92Å; N36-Q38 VanDerWaalsContact O-N 3.09Å
37	G	31.5	Very low	33.8	Very low	78 Å²	78	128.4 Å²	128.4	80%	0.804	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.6	3.1	-178.9	0	0	0	0	0	114.6	I35	I35-G37 VanDerWaalsContact C-N 3.31Å; I35-G37 PolarHBondContact O-N 3.45Å
38	Q	24.7	Very low	34	Very low	136 Å²	136	124.8 Å²	124.8	64%	0.636	61%	0.609	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.9	128	175.1	-63.9	-175.6	-7.8	0	0	109.9	I35 N36 I40	I35-Q38 PolarHBondContact N-O 3.12Å; I35-Q38 PolarHBondContact O-N 3.37Å; N36-Q38 PolarHBondContact O-N 2.92Å; N36-Q38 VanDerWaalsContact O-N 3.09Å; Q38-I40 PolarHBondContact O-N 3.39Å
39	C	32	Very low	34.7	Very low	62 Å²	62	120.2 Å²	120.2	42%	0.419	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.3	100.5	173.4	-178.5	0	0	0	0	108.3	Y34 E41	Y34-C39 HydrophobicContact CD1-CB 4.32Å; Y34-C39 HydrophobicContact CE1-CB 3.85Å; C39-E41 PolarHBondContact O-N 3.32Å
40	I	27.5	Very low	35.2	Very low	88 Å²	88	113.2 Å²	113.2	45%	0.451	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.2	102.5	172.6	-59.4	174.7	0	0	0	106.9	I33 Q38 L42	I33-I40 PolarHBondContact O-N 3.17Å; Q38-I40 PolarHBondContact O-N 3.39Å; I40-L42 PolarHBondContact O-N 3.24Å
41	E	32	Very low	35.7	Very low	98 Å²	98	110.7 Å²	110.7	46%	0.458	56%	0.555	S	S	.	*			trans	-77.5	99.1	172.4	-157.7	175.3	-159.3	0	0	108.1	R30 C39 V43	R30-E41 WeakPolarHBondContact CD-OE1 3.36Å; R30-E41 IonicContact CZ-OE1 3.36Å; R30-E41 IonicContact NE-OE1 3.67Å; R30-E41 IonicContact NH1-OE1 2.62Å; R30-E41 PolarHBondContact NH1-OE1 2.67Å; C39-E41 PolarHBondContact O-N 3.32Å; E41-V43 HydrophobicContact CB-CG2 4.21Å; E41-V43 HydrophobicContact CG-CG2 3.64Å; E41-V43 PolarHBondContact O-N 3.37Å
42	L	32.3	Very low	36.5	Very low	134 Å²	134	104.7 Å²	104.7	70%	0.702	54%	0.539	S	S	*	.			trans	-73.2	76.3	172.4	-159.9	86.9	0	0	0	108.8	I40 I44	I40-L42 PolarHBondContact O-N 3.24Å; L42-I44 VanDerWaalsContact C-N 3.33Å; L42-I44 HydrophobicContact CD2-CD1 4.39Å; L42-I44 HydrophobicContact CD2-CG1 4.37Å; L42-I44 PolarHBondContact O-N 3.47Å; L42-I44 VanDerWaalsContact O-N 3.11Å
43	V	34.8	Very low	37.3	Very low	89 Å²	89	99.4 Å²	99.4	54%	0.539	53%	0.525	S	S	.	.			trans	-78.2	88.2	169	-174.3	0	0	0	0	106.7	E41 P45	E41-V43 HydrophobicContact CB-CG2 4.21Å; E41-V43 HydrophobicContact CG-CG2 3.64Å; E41-V43 PolarHBondContact O-N 3.37Å; V43-P45 WeakPolarHBondContact O-CD 3.37Å
44	I	35.9	Very low	37.9	Very low	115 Å²	115	98.2 Å²	98.2	59%	0.59	52%	0.519	S	S	*	.			trans	-67.9	110.4	153.5	-59.7	175.5	0	0	0	104	L42 M46	L42-I44 VanDerWaalsContact C-N 3.33Å; L42-I44 HydrophobicContact CD2-CD1 4.39Å; L42-I44 HydrophobicContact CD2-CG1 4.37Å; L42-I44 PolarHBondContact O-N 3.47Å; L42-I44 VanDerWaalsContact O-N 3.11Å; I44-M46 PolarHBondContact O-N 3.13Å
45	P	39.3	Very low	38.8	Very low	55 Å²	55	95.3 Å²	95.3	36%	0.357	52%	0.515	S	S	.	.			trans	-61.6	123.3	-177.7	-13.4	27.3	0	0	0	106.2	V43 R47 F48	V43-P45 WeakPolarHBondContact O-CD 3.37Å; P45-R47 PolarHBondContact O-N 3.1Å; P45-F48 HydrophobicContact CB-CD2 3.84Å; P45-F48 HydrophobicContact CB-CE2 4.34Å; P45-F48 HydrophobicContact CG-CD2 3.55Å; P45-F48 HydrophobicContact CG-CE2 3.79Å; P45-F48 WeakPolarHBondContact O-CB 3.3Å; P45-F48 PolarHBondContact O-N 3.1Å
46	M	41.3	Very low	39.7	Very low	109 Å²	109	94.2 Å²	94.2	54%	0.537	51%	0.509	S	S	.	.	H	α-helix	trans	-53.2	-19.4	-179.3	-72.1	-165.6	-91.5	0	0	112.7	I44 F48 A49 G50 W153	I44-M46 PolarHBondContact O-N 3.13Å; M46-F48 VanDerWaalsContact C-N 3.33Å; M46-F48 PolarHBondContact O-N 2.84Å; M46-A49 PolarHBondContact O-N 3.03Å; M46-G50 PolarHBondContact O-N 3.41Å; M46-W153 HydrophobicContact CB-CH2 3.2Å; M46-W153 HydrophobicContact CB-CZ2 3.29Å; M46-W153 HydrophobicContact CB-CZ3 4.14Å; M46-W153 HydrophobicContact CE-CZ2 3.79Å; M46-W153 HydrophobicContact CG-CH2 4.38Å; M46-W153 HydrophobicContact CG-CZ2 4.02Å; M46-W153 HydrophobicContact SD-CH2 4.48Å; M46-W153 HydrophobicContact SD-CZ2 3.57Å; M46-W153 VanDerWaalsContact SD-CZ2 3.57Å
47	R	36.4	Very low	40.7	Very low	206 Å²	206	87.7 Å²	87.7	78%	0.777	48%	0.479	S	S	*	.	H	α-helix	trans	-55.6	-39.3	167.7	-63	-175.1	175.9	177.6	-2.2	113.7	P45 L51	P45-R47 PolarHBondContact O-N 3.1Å; R47-L51 WeakPolarHBondContact O-CB 3.41Å; R47-L51 PolarHBondContact O-N 3.37Å
48	F	41.1	Very low	41.6	Very low	127 Å²	127	89 Å²	89	56%	0.557	47%	0.467	S	S	*	.	H	α-helix	trans	-71.9	-34.3	175.9	-77.5	-88.4	0	0	0	112.3	P45 M46 L51 L52	P45-F48 HydrophobicContact CB-CD2 3.84Å; P45-F48 HydrophobicContact CB-CE2 4.34Å; P45-F48 HydrophobicContact CG-CD2 3.55Å; P45-F48 HydrophobicContact CG-CE2 3.79Å; P45-F48 WeakPolarHBondContact O-CB 3.3Å; P45-F48 PolarHBondContact O-N 3.1Å; M46-F48 VanDerWaalsContact C-N 3.33Å; M46-F48 PolarHBondContact O-N 2.84Å; F48-L51 PolarHBondContact O-N 2.97Å; F48-L52 VanDerWaalsContact O-CB 3.31Å; F48-L52 WeakPolarHBondContact O-CB 3.48Å; F48-L52 WeakPolarHBondContact O-CD1 3.21Å; F48-L52 WeakPolarHBondContact O-CG 3.36Å; F48-L52 PolarHBondContact O-N 2.81Å
49	A	45.5	Very low	42.8	Very low	51 Å²	51	85.3 Å²	85.3	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-67.4	-40.7	175.4	0	0	0	0	0	111.8	M46 L52 C53	M46-A49 PolarHBondContact O-N 3.03Å; A49-L52 PolarHBondContact O-N 2.98Å; A49-C53 WeakPolarHBondContact O-CB 3.15Å; A49-C53 PolarHBondContact O-N 2.77Å
50	G	46.2	Very low	43.7	Very low	6 Å²	6	83.8 Å²	83.8	6%	0.062	45%	0.447	C	S	.	.	H	α-helix	trans	-63.5	-43.8	172.4	0	0	0	0	0	112.5	M46 C53 I54	M46-G50 PolarHBondContact O-N 3.41Å; G50-C53 PolarHBondContact O-N 3.27Å; G50-I54 VanDerWaalsContact O-CG1 3.32Å; G50-I54 WeakPolarHBondContact O-CG1 3.38Å; G50-I54 PolarHBondContact O-N 3.06Å
51	L	45.6	Very low	44.8	Very low	111 Å²	111	84.9 Å²	84.9	58%	0.581	45%	0.453	S	S	*	.	H	α-helix	trans	-62.7	-43	176.5	-152.9	89.2	0	0	0	111.6	R47 F48 C53 I54 T55	R47-L51 WeakPolarHBondContact O-CB 3.41Å; R47-L51 PolarHBondContact O-N 3.37Å; F48-L51 PolarHBondContact O-N 2.97Å; L51-C53 VanDerWaalsContact C-N 3.34Å; L51-I54 PolarHBondContact O-N 3.04Å; L51-T55 WeakPolarHBondContact O-CG2 3.17Å; L51-T55 PolarHBondContact O-N 3.21Å; L51-T55 PolarHBondContact O-OG1 2.92Å
52	L	52	Low	45.6	Very low	99 Å²	99	86.1 Å²	86.1	52%	0.518	46%	0.462	S	S	.	.	H	α-helix	trans	-62.9	-38.2	174.8	-75.4	166.1	0	0	0	112	F48 A49 T55 M56	F48-L52 VanDerWaalsContact O-CB 3.31Å; F48-L52 WeakPolarHBondContact O-CB 3.48Å; F48-L52 WeakPolarHBondContact O-CD1 3.21Å; F48-L52 WeakPolarHBondContact O-CG 3.36Å; F48-L52 PolarHBondContact O-N 2.81Å; A49-L52 PolarHBondContact O-N 2.98Å; L52-T55 WeakPolarHBondContact CA-OG1 3.48Å; L52-T55 PolarHBondContact O-OG1 3.03Å; L52-M56 VanDerWaalsContact O-CB 3.28Å; L52-M56 WeakPolarHBondContact O-CB 3.45Å; L52-M56 WeakPolarHBondContact O-CG 3.36Å; L52-M56 PolarHBondContact O-N 3.37Å
53	C	51.1	Low	46.2	Very low	38 Å²	38	81.1 Å²	81.1	26%	0.257	44%	0.436	S	S	.	.	H	α-helix	trans	-66	-44.4	174.2	-95.4	0	0	0	0	112.6	A49 G50 L51 M56 G57 L146 V150	A49-C53 WeakPolarHBondContact O-CB 3.15Å; A49-C53 PolarHBondContact O-N 2.77Å; G50-C53 PolarHBondContact O-N 3.27Å; L51-C53 VanDerWaalsContact C-N 3.34Å; C53-M56 PolarHBondContact O-N 3.42Å; C53-G57 PolarHBondContact O-N 3.32Å; C53-L146 WeakPolarHBondContact SG-CD2 3.31Å; C53-V150 HydrophobicContact CB-CG2 3.99Å
54	I	50	Low	46.9	Very low	76 Å²	76	80.6 Å²	80.6	39%	0.39	43%	0.43	S	S	.	.	H	α-helix	trans	-65.5	-43.9	179.6	-67.7	165.1	0	0	0	110.3	G50 L51 G57 L58 V150 L154	G50-I54 VanDerWaalsContact O-CG1 3.32Å; G50-I54 WeakPolarHBondContact O-CG1 3.38Å; G50-I54 PolarHBondContact O-N 3.06Å; L51-I54 PolarHBondContact O-N 3.04Å; I54-G57 PolarHBondContact O-N 2.72Å; I54-L58 HydrophobicContact CG2-CD1 3.92Å; I54-L58 WeakPolarHBondContact O-CB 3.3Å; I54-L58 WeakPolarHBondContact O-CG 3.37Å; I54-L58 PolarHBondContact O-N 2.9Å; I54-V150 HydrophobicContact CG1-CG1 4.45Å; I54-L154 HydrophobicContact CD1-CD1 4.08Å
55	T	51.6	Low	47.4	Very low	76 Å²	76	77.3 Å²	77.3	47%	0.466	43%	0.425	S	S	.	.	H	α-helix	trans	-65.1	-39.6	176.9	52.6	0	0	0	0	111.4	L51 L52 C59	L51-T55 WeakPolarHBondContact O-CG2 3.17Å; L51-T55 PolarHBondContact O-N 3.21Å; L51-T55 PolarHBondContact O-OG1 2.92Å; L52-T55 WeakPolarHBondContact CA-OG1 3.48Å; L52-T55 PolarHBondContact O-OG1 3.03Å; T55-C59 WeakPolarHBondContact O-CB 3.18Å; T55-C59 PolarHBondContact O-N 3.15Å
56	M	52.4	Low	47.7	Very low	70 Å²	70	76.8 Å²	76.8	35%	0.345	42%	0.422	S	S	.	.	H	α-helix	trans	-66.6	-38.8	174.3	-74.4	-172.5	-170.6	0	0	113	L52 C53 C59 A60	L52-M56 VanDerWaalsContact O-CB 3.28Å; L52-M56 WeakPolarHBondContact O-CB 3.45Å; L52-M56 WeakPolarHBondContact O-CG 3.36Å; L52-M56 PolarHBondContact O-N 3.37Å; C53-M56 PolarHBondContact O-N 3.42Å; M56-C59 PolarHBondContact O-N 3.12Å; M56-A60 WeakPolarHBondContact O-CB 3.47Å; M56-A60 PolarHBondContact O-N 3.14Å
57	G	51.6	Low	47.6	Very low	18 Å²	18	76.3 Å²	76.3	19%	0.186	41%	0.414	C	S	.	.	H	α-helix	trans	-66.1	-44.6	176.4	0	0	0	0	0	112.9	C53 I54 C59 A60 I61	C53-G57 PolarHBondContact O-N 3.32Å; I54-G57 PolarHBondContact O-N 2.72Å; G57-C59 VanDerWaalsContact C-N 3.31Å; G57-C59 PolarHBondContact O-N 3.43Å; G57-A60 PolarHBondContact O-N 3.32Å; G57-I61 WeakPolarHBondContact O-CG1 3.49Å; G57-I61 PolarHBondContact O-N 3.17Å
58	L	50.9	Low	48.1	Very low	105 Å²	105	77.6 Å²	77.6	55%	0.55	42%	0.419	S	S	.	.	H	α-helix	trans	-64.7	-35.8	174.6	-73.3	168.7	0	0	0	112	I54 N62	I54-L58 HydrophobicContact CG2-CD1 3.92Å; I54-L58 WeakPolarHBondContact O-CB 3.3Å; I54-L58 WeakPolarHBondContact O-CG 3.37Å; I54-L58 PolarHBondContact O-N 2.9Å; L58-N62 PolarHBondContact O-N 3.12Å; L58-N62 VanDerWaalsContact O-N 3.08Å
59	C	49.2	Very low	48.3	Very low	58 Å²	58	82.4 Å²	82.4	39%	0.392	43%	0.434	S	S	.	.	H	α-helix	trans	-64.3	-45	173.1	-134	0	0	0	0	111.1	T55 M56 G57 I61 N62 L63	T55-C59 WeakPolarHBondContact O-CB 3.18Å; T55-C59 PolarHBondContact O-N 3.15Å; M56-C59 PolarHBondContact O-N 3.12Å; G57-C59 VanDerWaalsContact C-N 3.31Å; G57-C59 PolarHBondContact O-N 3.43Å; C59-I61 PolarHBondContact O-N 3.27Å; C59-N62 PolarHBondContact O-N 2.89Å; C59-L63 WeakPolarHBondContact O-CB 3.28Å; C59-L63 WeakPolarHBondContact O-CD1 3.31Å; C59-L63 WeakPolarHBondContact O-CG 3.32Å; C59-L63 PolarHBondContact O-N 3.24Å
60	A	50.6	Low	48.1	Very low	30 Å²	30	83.4 Å²	83.4	25%	0.248	44%	0.437	C	S	.	.	H	α-helix	trans	-62.2	-39.1	177.7	0	0	0	0	0	113	M56 G57 L63 L64	M56-A60 WeakPolarHBondContact O-CB 3.47Å; M56-A60 PolarHBondContact O-N 3.14Å; G57-A60 PolarHBondContact O-N 3.32Å; A60-L63 PolarHBondContact O-N 3.09Å; A60-L64 WeakPolarHBondContact O-CB 3.34Å; A60-L64 WeakPolarHBondContact O-CG 3.2Å; A60-L64 PolarHBondContact O-N 3.38Å
61	I	50.8	Low	48	Very low	112 Å²	112	90.7 Å²	90.7	57%	0.574	47%	0.468	S	S	*	.	H	α-helix	trans	-67.6	-44.9	177.1	-66.7	165.2	0	0	0	111.1	G57 C59 L63 L64 G65	G57-I61 WeakPolarHBondContact O-CG1 3.49Å; G57-I61 PolarHBondContact O-N 3.17Å; C59-I61 PolarHBondContact O-N 3.27Å; I61-L63 VanDerWaalsContact C-N 3.28Å; I61-L63 PolarHBondContact O-N 3.31Å; I61-L64 PolarHBondContact O-N 3.31Å; I61-G65 PolarHBondContact O-N 3.05Å
62	N	49.5	Very low	47.8	Very low	124 Å²	124	88.6 Å²	88.6	66%	0.663	47%	0.473	S	S	*	.	H	α-helix	trans	-63.8	-35.7	175.9	-89.9	-9.9	0	0	0	111.9	L58 C59 S66	L58-N62 PolarHBondContact O-N 3.12Å; L58-N62 VanDerWaalsContact O-N 3.08Å; C59-N62 PolarHBondContact O-N 2.89Å; N62-S66 PolarHBondContact O-N 2.81Å; N62-S66 VanDerWaalsContact O-N 3.08Å; N62-S66 PolarHBondContact O-OG 3.17Å
63	L	45.2	Very low	47.1	Very low	28 Å²	28	90.9 Å²	90.9	15%	0.147	49%	0.485	C	S	.	.	H	α-helix	trans	-67.8	-44.1	174.8	-72.2	163.9	0	0	0	111.4	C59 A60 I61 G65 S66 W67 V79 V82 V83	C59-L63 WeakPolarHBondContact O-CB 3.28Å; C59-L63 WeakPolarHBondContact O-CD1 3.31Å; C59-L63 WeakPolarHBondContact O-CG 3.32Å; C59-L63 PolarHBondContact O-N 3.24Å; A60-L63 PolarHBondContact O-N 3.09Å; I61-L63 VanDerWaalsContact C-N 3.28Å; I61-L63 PolarHBondContact O-N 3.31Å; L63-G65 PolarHBondContact O-N 3.13Å; L63-S66 WeakPolarHBondContact CA-OG 3.29Å; L63-S66 PolarHBondContact O-N 3.31Å; L63-S66 PolarHBondContact O-OG 3Å; L63-W67 VanDerWaalsContact O-CB 3.31Å; L63-W67 WeakPolarHBondContact O-CB 3.39Å; L63-W67 PolarHBondContact O-N 3.39Å; L63-V79 HydrophobicContact CD2-CG1 3.71Å; L63-V82 HydrophobicContact CD1-CG1 4.11Å; L63-V82 HydrophobicContact CD2-CG1 4.48Å; L63-V83 HydrophobicContact CD1-CG2 4.23Å; L63-V83 HydrophobicContact CD2-CG2 4.24Å
64	L	49.7	Very low	46.3	Very low	78 Å²	78	95.4 Å²	95.4	41%	0.408	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-39.4	174.9	-80.8	160.7	0	0	0	112.7	A60 I61 S66 W67 R68 I140	A60-L64 WeakPolarHBondContact O-CB 3.34Å; A60-L64 WeakPolarHBondContact O-CG 3.2Å; A60-L64 PolarHBondContact O-N 3.38Å; I61-L64 PolarHBondContact O-N 3.31Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 2.92Å; L64-W67 PolarHBondContact O-N 2.72Å; L64-R68 PolarHBondContact O-N 2.96Å; L64-I140 HydrophobicContact CD1-CG1 4.45Å
65	G	45.4	Very low	45.8	Very low	47 Å²	47	94.6 Å²	94.6	49%	0.485	52%	0.522	S	S	.	.	H	α-helix	trans	-66.1	-32.9	176.1	0	0	0	0	0	113.4	I61 L63	I61-G65 PolarHBondContact O-N 3.05Å; L63-G65 PolarHBondContact O-N 3.13Å
66	S	45.7	Very low	45.5	Very low	43 Å²	43	98 Å²	98	30%	0.301	54%	0.536	S	S	.	.	H	α-helix	trans	-85.4	-26.8	174.5	43.4	0	0	0	0	113	N62 L63 L64 R68 R69 S70	N62-S66 PolarHBondContact O-N 2.81Å; N62-S66 VanDerWaalsContact O-N 3.08Å; N62-S66 PolarHBondContact O-OG 3.17Å; L63-S66 WeakPolarHBondContact CA-OG 3.29Å; L63-S66 PolarHBondContact O-N 3.31Å; L63-S66 PolarHBondContact O-OG 3Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 2.92Å; S66-R68 VanDerWaalsContact C-N 3.29Å; S66-R68 PolarHBondContact O-N 3.15Å; S66-R69 CarbonylContact O-C 3.59Å; S66-R69 WeakPolarHBondContact O-CA 3.48Å; S66-R69 PolarHBondContact O-N 2.82Å; S66-S70 PolarHBondContact O-N 3.06Å; S66-S70 PolarHBondContact O-OG 3.46Å
67	W	39.1	Very low	45.2	Very low	99 Å²	99	96.9 Å²	96.9	38%	0.375	54%	0.535	S	S	.	.	H	α-helix	trans	-59.3	-39.4	173	-142.9	51	0	0	0	111.7	L63 L64 R69 S70 F71	L63-W67 VanDerWaalsContact O-CB 3.31Å; L63-W67 WeakPolarHBondContact O-CB 3.39Å; L63-W67 PolarHBondContact O-N 3.39Å; L64-W67 PolarHBondContact O-N 2.72Å; W67-R69 PolarHBondContact O-N 2.62Å; W67-S70 PolarHBondContact O-N 3.08Å; W67-F71 HydrophobicContact CD2-CD2 4.39Å; W67-F71 AromaticContact CD2-CE2 3.87Å; W67-F71 HydrophobicContact CD2-CE2 3.87Å; W67-F71 AromaticContact CE2-CE2 3.64Å; W67-F71 HydrophobicContact CE3-CE2 4.14Å; W67-F71 HydrophobicContact CG-CE2 4.48Å; W67-F71 AromaticContact CH2-CE2 3.98Å; W67-F71 HydrophobicContact CH2-CE2 3.98Å; W67-F71 HydrophobicContact CH2-CZ 4.38Å; W67-F71 AromaticContact CZ2-CE2 3.71Å; W67-F71 HydrophobicContact CZ2-CE2 3.71Å; W67-F71 HydrophobicContact CZ2-CZ 4.17Å; W67-F71 HydrophobicContact CZ3-CE2 4.19Å
68	R	46.9	Very low	44.8	Very low	234 Å²	234	100.2 Å²	100.2	88%	0.883	56%	0.556	S	S	*	*	H	α-helix	trans	-68.3	-17.5	174.8	-147.6	-176.9	-177.3	-163.6	0.8	113.7	L64 S66	L64-R68 PolarHBondContact O-N 2.96Å; S66-R68 VanDerWaalsContact C-N 3.29Å; S66-R68 PolarHBondContact O-N 3.15Å
69	R	45	Very low	44.4	Very low	228 Å²	228	96.9 Å²	96.9	86%	0.86	54%	0.54	S	S	*	.	H	α-helix	trans	-98.2	-21.2	176.4	-74.6	-174.4	-177.1	168.4	2	113.8	S66 W67	S66-R69 CarbonylContact O-C 3.59Å; S66-R69 WeakPolarHBondContact O-CA 3.48Å; S66-R69 PolarHBondContact O-N 2.82Å; W67-R69 PolarHBondContact O-N 2.62Å
70	S	42.7	Very low	44.2	Very low	71 Å²	71	98.4 Å²	98.4	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-99.1	-2	-173.5	-68.6	0	0	0	0	115.5	S66 W67 G72	S66-S70 PolarHBondContact O-N 3.06Å; S66-S70 PolarHBondContact O-OG 3.46Å; W67-S70 PolarHBondContact O-N 3.08Å; S70-G72 PolarHBondContact O-N 3.17Å
71	F	44.3	Very low	43.9	Very low	159 Å²	159	101.6 Å²	101.6	70%	0.697	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	22.3	-179.5	-113.6	-82.6	0	0	0	115.7	W67	W67-F71 HydrophobicContact CD2-CD2 4.39Å; W67-F71 AromaticContact CD2-CE2 3.87Å; W67-F71 HydrophobicContact CD2-CE2 3.87Å; W67-F71 AromaticContact CE2-CE2 3.64Å; W67-F71 HydrophobicContact CE3-CE2 4.14Å; W67-F71 HydrophobicContact CG-CE2 4.48Å; W67-F71 AromaticContact CH2-CE2 3.98Å; W67-F71 HydrophobicContact CH2-CE2 3.98Å; W67-F71 HydrophobicContact CH2-CZ 4.38Å; W67-F71 AromaticContact CZ2-CE2 3.71Å; W67-F71 HydrophobicContact CZ2-CE2 3.71Å; W67-F71 HydrophobicContact CZ2-CZ 4.17Å; W67-F71 HydrophobicContact CZ3-CE2 4.19Å
72	G	40.5	Very low	43.8	Very low	68 Å²	68	99 Å²	99	70%	0.701	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	-10.4	179.9	0	0	0	0	0	116.3	S70	S70-G72 PolarHBondContact O-N 3.17Å
73	L	36.6	Very low	43.8	Very low	146 Å²	146	95.7 Å²	95.7	76%	0.764	53%	0.526	S	S	*	.	S	Bend	trans	-144.7	102.6	-169	-80.8	157.3	0	0	0	112.4
74	T	35.5	Very low	44.1	Very low	134 Å²	134	98.3 Å²	98.3	82%	0.822	54%	0.543	S	S	*	.			trans	35.2	116.6	134.9	56.7	0	0	0	0	118.6
75	G	39.4	Very low	44.1	Very low	59 Å²	59	100 Å²	100	61%	0.608	55%	0.552	S	S	*	*	S	Bend	trans	106.7	139.9	160.2	0	0	0	0	0	113	S77	G75-S77 PolarHBondContact O-N 3.44Å
76	I	44.7	Very low	44.3	Very low	146 Å²	146	99.5 Å²	99.5	75%	0.749	54%	0.541	S	S	*	.			trans	-61.1	84.6	170	-60.8	170.8	0	0	0	107	H80	I76-H80 HydrophobicContact CG2-CB 3.96Å
77	S	46.8	Very low	44.6	Very low	48 Å²	48	99.5 Å²	99.5	34%	0.336	54%	0.539	S	S	.	.			trans	-62.1	148.4	176.8	165.4	0	0	0	0	108.7	G75 V79 H80	G75-S77 PolarHBondContact O-N 3.44Å; S77-V79 CarbonylContact O-C 3.55Å; S77-V79 PolarHBondContact O-N 3.24Å; S77-V79 WeakPolarHBondContact OG-CG2 3.15Å; S77-V79 PolarHBondContact OG-N 3.26Å; S77-H80 PolarHBondContact N-ND1 2.96Å; S77-H80 WeakPolarHBondContact O-CB 3.49Å; S77-H80 PolarHBondContact O-N 3.19Å; S77-H80 PolarHBondContact O-ND1 3.41Å
78	S	41.9	Very low	45.1	Very low	87 Å²	87	98.8 Å²	98.8	61%	0.608	55%	0.545	S	S	*	.	H	α-helix	trans	-46	-26.4	173.2	51.2	0	0	0	0	113.1	H80 I81 V82	S78-H80 PolarHBondContact O-N 3.25Å; S78-I81 PolarHBondContact O-N 3.25Å; S78-V82 WeakPolarHBondContact O-CG2 3.37Å; S78-V82 PolarHBondContact O-N 2.82Å
79	V	43.7	Very low	45.3	Very low	35 Å²	35	89.1 Å²	89.1	21%	0.212	52%	0.516	C	S	.	.	H	α-helix	trans	-55.9	-43.8	170.4	179.2	0	0	0	0	112.7	L63 S77 I81 V82 V83	L63-V79 HydrophobicContact CD2-CG1 3.71Å; S77-V79 CarbonylContact O-C 3.55Å; S77-V79 PolarHBondContact O-N 3.24Å; S77-V79 WeakPolarHBondContact OG-CG2 3.15Å; S77-V79 PolarHBondContact OG-N 3.26Å; V79-I81 PolarHBondContact O-N 3.29Å; V79-V82 PolarHBondContact O-N 3.11Å; V79-V83 HydrophobicContact CG1-CG2 4.43Å; V79-V83 WeakPolarHBondContact O-CB 3.19Å; V79-V83 WeakPolarHBondContact O-CG2 3.31Å; V79-V83 PolarHBondContact O-N 3.07Å
80	H	44.7	Very low	45.7	Very low	91 Å²	91	81.5 Å²	81.5	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-66	-37.2	178.1	-66.2	88.2	0	0	0	112.3	I76 S77 S78 V83 T84	I76-H80 HydrophobicContact CG2-CB 3.96Å; S77-H80 PolarHBondContact N-ND1 2.96Å; S77-H80 WeakPolarHBondContact O-CB 3.49Å; S77-H80 PolarHBondContact O-N 3.19Å; S77-H80 PolarHBondContact O-ND1 3.41Å; S78-H80 PolarHBondContact O-N 3.25Å; H80-V83 PolarHBondContact O-N 3.35Å; H80-T84 WeakPolarHBondContact O-CB 3.44Å; H80-T84 PolarHBondContact O-N 3.47Å; H80-T84 PolarHBondContact O-OG1 3.39Å
81	I	44.8	Very low	46.1	Very low	96 Å²	96	82.9 Å²	82.9	49%	0.492	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-45.7	175.8	-62.3	172.6	0	0	0	109.4	S78 V79 V83 T84 L85	S78-I81 PolarHBondContact O-N 3.25Å; V79-I81 PolarHBondContact O-N 3.29Å; I81-V83 PolarHBondContact O-N 2.8Å; I81-T84 PolarHBondContact O-N 2.82Å; I81-L85 HydrophobicContact CG2-CD1 3.92Å; I81-L85 HydrophobicContact CG2-CG 4.42Å; I81-L85 WeakPolarHBondContact O-CB 3.26Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 2.84Å
82	V	48.3	Very low	46.4	Very low	58 Å²	58	78.1 Å²	78.1	35%	0.352	48%	0.478	S	S	.	.	H	α-helix	trans	-62.8	-43.1	176.8	175.3	0	0	0	0	111	L63 S78 V79 T84 L85 C86	L63-V82 HydrophobicContact CD1-CG1 4.11Å; L63-V82 HydrophobicContact CD2-CG1 4.48Å; S78-V82 WeakPolarHBondContact O-CG2 3.37Å; S78-V82 PolarHBondContact O-N 2.82Å; V79-V82 PolarHBondContact O-N 3.11Å; V82-T84 PolarHBondContact O-N 3.37Å; V82-L85 PolarHBondContact O-N 2.79Å; V82-C86 VanDerWaalsContact O-CB 3.31Å; V82-C86 WeakPolarHBondContact O-CB 3.26Å; V82-C86 PolarHBondContact O-N 3.43Å; V82-C86 PolarHBondContact O-SG 2.77Å
83	V	49.9	Very low	46.9	Very low	54 Å²	54	79.1 Å²	79.1	33%	0.327	47%	0.47	S	S	.	.	H	α-helix	trans	-61.7	-42.7	175.6	169.8	0	0	0	0	111.3	L63 V79 H80 I81 C86 T87	L63-V83 HydrophobicContact CD1-CG2 4.23Å; L63-V83 HydrophobicContact CD2-CG2 4.24Å; V79-V83 HydrophobicContact CG1-CG2 4.43Å; V79-V83 WeakPolarHBondContact O-CB 3.19Å; V79-V83 WeakPolarHBondContact O-CG2 3.31Å; V79-V83 PolarHBondContact O-N 3.07Å; H80-V83 PolarHBondContact O-N 3.35Å; I81-V83 PolarHBondContact O-N 2.8Å; V83-C86 PolarHBondContact O-N 2.91Å; V83-T87 WeakPolarHBondContact O-CB 3.38Å; V83-T87 WeakPolarHBondContact O-CG2 3.32Å; V83-T87 PolarHBondContact O-N 2.83Å; V83-T87 PolarHBondContact O-OG1 2.86Å
84	T	51.2	Low	47.5	Very low	83 Å²	83	78.1 Å²	78.1	51%	0.509	46%	0.456	S	S	.	.	H	α-helix	trans	-65.5	-43.7	177.8	-53.8	0	0	0	0	111	H80 I81 V82 T87 V88	H80-T84 WeakPolarHBondContact O-CB 3.44Å; H80-T84 PolarHBondContact O-N 3.47Å; H80-T84 PolarHBondContact O-OG1 3.39Å; I81-T84 PolarHBondContact O-N 2.82Å; V82-T84 PolarHBondContact O-N 3.37Å; T84-T87 VanDerWaalsContact CA-OG1 3.31Å; T84-T87 WeakPolarHBondContact CA-OG1 3.22Å; T84-T87 PolarHBondContact O-N 2.86Å; T84-T87 PolarHBondContact O-OG1 2.57Å; T84-V88 HydrophobicContact CG2-CG2 4.47Å; T84-V88 WeakPolarHBondContact O-CB 3.46Å; T84-V88 WeakPolarHBondContact O-CG2 3.33Å; T84-V88 PolarHBondContact O-N 3.49Å
85	L	49	Very low	48.1	Very low	113 Å²	113	75.6 Å²	75.6	59%	0.592	44%	0.438	S	S	*	.	H	α-helix	trans	-66.3	-40.8	177.4	-71.9	171.6	0	0	0	112.1	I81 V82 V88 A89	I81-L85 HydrophobicContact CG2-CD1 3.92Å; I81-L85 HydrophobicContact CG2-CG 4.42Å; I81-L85 WeakPolarHBondContact O-CB 3.26Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 2.84Å; V82-L85 PolarHBondContact O-N 2.79Å; L85-V88 PolarHBondContact O-N 3.44Å; L85-A89 WeakPolarHBondContact O-CB 3.22Å; L85-A89 PolarHBondContact O-N 3.43Å
86	C	50.8	Low	48.5	Very low	37 Å²	37	76.6 Å²	76.6	25%	0.25	44%	0.435	C	S	.	.	H	α-helix	trans	-65.9	-42.5	176.4	-74.9	0	0	0	0	111.8	V82 V83 A89 Q90	V82-C86 VanDerWaalsContact O-CB 3.31Å; V82-C86 WeakPolarHBondContact O-CB 3.26Å; V82-C86 PolarHBondContact O-N 3.43Å; V82-C86 PolarHBondContact O-SG 2.77Å; V83-C86 PolarHBondContact O-N 2.91Å; C86-A89 PolarHBondContact O-N 2.84Å; C86-Q90 WeakPolarHBondContact O-CB 3.31Å; C86-Q90 VanDerWaalsContact O-CG 3.22Å; C86-Q90 WeakPolarHBondContact O-CG 3.37Å; C86-Q90 PolarHBondContact O-N 2.87Å
87	T	51.1	Low	48.7	Very low	43 Å²	43	74.8 Å²	74.8	26%	0.264	42%	0.422	S	S	.	.	H	α-helix	trans	-67.1	-39.8	176.3	45	0	0	0	0	111.7	V83 T84 Q90 L91	V83-T87 WeakPolarHBondContact O-CB 3.38Å; V83-T87 WeakPolarHBondContact O-CG2 3.32Å; V83-T87 PolarHBondContact O-N 2.83Å; V83-T87 PolarHBondContact O-OG1 2.86Å; T84-T87 VanDerWaalsContact CA-OG1 3.31Å; T84-T87 WeakPolarHBondContact CA-OG1 3.22Å; T84-T87 PolarHBondContact O-N 2.86Å; T84-T87 PolarHBondContact O-OG1 2.57Å; T87-Q90 PolarHBondContact O-N 3.3Å; T87-L91 VanDerWaalsContact O-CB 3.3Å; T87-L91 WeakPolarHBondContact O-CB 3.45Å; T87-L91 WeakPolarHBondContact O-CD1 3.3Å; T87-L91 WeakPolarHBondContact O-CG 3.37Å; T87-L91 PolarHBondContact O-N 3.33Å
88	V	49.9	Very low	48.4	Very low	84 Å²	84	75.4 Å²	75.4	51%	0.509	42%	0.42	S	S	.	.	H	α-helix	trans	-62.8	-43.3	173.2	170.1	0	0	0	0	111.2	T84 L85 L91 S92	T84-V88 HydrophobicContact CG2-CG2 4.47Å; T84-V88 WeakPolarHBondContact O-CB 3.46Å; T84-V88 WeakPolarHBondContact O-CG2 3.33Å; T84-V88 PolarHBondContact O-N 3.49Å; L85-V88 PolarHBondContact O-N 3.44Å; V88-L91 PolarHBondContact O-N 2.88Å; V88-S92 WeakPolarHBondContact O-CB 3.44Å; V88-S92 PolarHBondContact O-N 2.91Å
89	A	51.2	Low	48.3	Very low	31 Å²	31	81 Å²	81	26%	0.256	43%	0.428	S	S	.	.	H	α-helix	trans	-61.8	-46.8	175	0	0	0	0	0	111.1	L85 C86 L91 S92 V93	L85-A89 WeakPolarHBondContact O-CB 3.22Å; L85-A89 PolarHBondContact O-N 3.43Å; C86-A89 PolarHBondContact O-N 2.84Å; A89-L91 PolarHBondContact O-N 3.34Å; A89-S92 PolarHBondContact O-N 3.29Å; A89-S92 PolarHBondContact O-OG 2.89Å; A89-V93 WeakPolarHBondContact O-CG2 3.4Å; A89-V93 PolarHBondContact O-N 3.24Å
90	Q	53.5	Low	48.2	Very low	69 Å²	69	83.3 Å²	83.3	32%	0.322	44%	0.436	S	S	.	.	H	α-helix	trans	-60.2	-44.3	176	-75.4	172.3	-9.3	0	0	111.9	C86 T87 S92 V93 W94	C86-Q90 WeakPolarHBondContact O-CB 3.31Å; C86-Q90 VanDerWaalsContact O-CG 3.22Å; C86-Q90 WeakPolarHBondContact O-CG 3.37Å; C86-Q90 PolarHBondContact O-N 2.87Å; T87-Q90 PolarHBondContact O-N 3.3Å; Q90-S92 VanDerWaalsContact C-N 3.34Å; Q90-S92 PolarHBondContact O-N 3.4Å; Q90-V93 PolarHBondContact O-N 3.34Å; Q90-W94 WeakPolarHBondContact O-CB 3.42Å; Q90-W94 PolarHBondContact O-N 2.82Å
91	L	51.2	Low	47.9	Very low	99 Å²	99	82.9 Å²	82.9	52%	0.518	43%	0.431	S	S	.	.	H	α-helix	trans	-62.5	-39.2	175.5	-82.9	157.7	0	0	0	111.8	T87 V88 A89 N95	T87-L91 VanDerWaalsContact O-CB 3.3Å; T87-L91 WeakPolarHBondContact O-CB 3.45Å; T87-L91 WeakPolarHBondContact O-CD1 3.3Å; T87-L91 WeakPolarHBondContact O-CG 3.37Å; T87-L91 PolarHBondContact O-N 3.33Å; V88-L91 PolarHBondContact O-N 2.88Å; A89-L91 PolarHBondContact O-N 3.34Å; L91-N95 WeakPolarHBondContact O-CB 3.22Å; L91-N95 PolarHBondContact O-N 2.89Å; L91-N95 PolarHBondContact O-ND2 3.45Å
92	S	50.4	Low	47.4	Very low	60 Å²	60	83 Å²	83	42%	0.42	43%	0.425	S	S	.	.	H	α-helix	trans	-69.5	-40.4	177.7	75.2	0	0	0	0	112.7	V88 A89 Q90 S96	V88-S92 WeakPolarHBondContact O-CB 3.44Å; V88-S92 PolarHBondContact O-N 2.91Å; A89-S92 PolarHBondContact O-N 3.29Å; A89-S92 PolarHBondContact O-OG 2.89Å; Q90-S92 VanDerWaalsContact C-N 3.34Å; Q90-S92 PolarHBondContact O-N 3.4Å; S92-S96 WeakPolarHBondContact O-CB 3.34Å; S92-S96 PolarHBondContact O-N 2.84Å; S92-S96 PolarHBondContact O-OG 3.47Å
93	V	50.4	Low	47	Very low	89 Å²	89	83.8 Å²	83.8	54%	0.539	43%	0.434	S	S	.	.	H	α-helix	trans	-67.1	-44.7	175	172.9	0	0	0	0	109.6	A89 Q90 S96 F97	A89-V93 WeakPolarHBondContact O-CG2 3.4Å; A89-V93 PolarHBondContact O-N 3.24Å; Q90-V93 PolarHBondContact O-N 3.34Å; V93-S96 WeakPolarHBondContact O-CB 3.15Å; V93-S96 PolarHBondContact O-N 2.8Å; V93-F97 WeakPolarHBondContact O-CB 3.49Å; V93-F97 PolarHBondContact O-N 2.81Å
94	W	49.5	Very low	46.4	Very low	124 Å²	124	85.1 Å²	85.1	47%	0.47	44%	0.439	S	S	.	.	H	α-helix	trans	-62.9	-44.2	176.2	-176.5	-103.1	0	0	0	112	Q90 S96 F97 Q98 T142	Q90-W94 WeakPolarHBondContact O-CB 3.42Å; Q90-W94 PolarHBondContact O-N 2.82Å; W94-S96 VanDerWaalsContact C-N 3.31Å; W94-S96 PolarHBondContact O-N 3.36Å; W94-F97 CarbonylContact O-C 3.54Å; W94-F97 PolarHBondContact O-N 2.71Å; W94-Q98 HydrophobicContact CD2-CG 4.41Å; W94-Q98 HydrophobicContact CG-CG 4.47Å; W94-Q98 HydrophobicContact CZ2-CG 4.33Å; W94-Q98 WeakPolarHBondContact O-CB 3.22Å; W94-Q98 WeakPolarHBondContact O-CG 3.48Å; W94-Q98 PolarHBondContact O-N 3.38Å; W94-T142 HydrophobicContact CZ3-CG2 4.39Å
95	N	47.7	Very low	45.8	Very low	82 Å²	82	87.1 Å²	87.1	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-62.2	-38.5	174.6	-82.1	-27.6	0	0	0	112	L91 R99	L91-N95 WeakPolarHBondContact O-CB 3.22Å; L91-N95 PolarHBondContact O-N 2.89Å; L91-N95 PolarHBondContact O-ND2 3.45Å; N95-R99 WeakPolarHBondContact O-CB 3.37Å; N95-R99 VanDerWaalsContact O-CG 3.3Å; N95-R99 WeakPolarHBondContact O-CG 3.34Å; N95-R99 PolarHBondContact O-N 2.93Å
96	S	48.8	Very low	45.4	Very low	80 Å²	80	87.3 Å²	87.3	56%	0.559	45%	0.453	S	S	*	.	H	α-helix	trans	-66.8	-40.9	174.7	-60.3	0	0	0	0	111.2	S92 V93 W94 H100	S92-S96 WeakPolarHBondContact O-CB 3.34Å; S92-S96 PolarHBondContact O-N 2.84Å; S92-S96 PolarHBondContact O-OG 3.47Å; V93-S96 WeakPolarHBondContact O-CB 3.15Å; V93-S96 PolarHBondContact O-N 2.8Å; W94-S96 VanDerWaalsContact C-N 3.31Å; W94-S96 PolarHBondContact O-N 3.36Å; S96-H100 WeakPolarHBondContact O-CB 3.28Å; S96-H100 PolarHBondContact O-N 3.39Å
97	F	47.8	Very low	44.5	Very low	107 Å²	107	90.8 Å²	90.8	47%	0.469	47%	0.467	S	S	.	.	H	α-helix	trans	-68	-44.8	177.5	-153.3	-95.1	0	0	0	111.3	V93 W94 H100 W101	V93-F97 WeakPolarHBondContact O-CB 3.49Å; V93-F97 PolarHBondContact O-N 2.81Å; W94-F97 CarbonylContact O-C 3.54Å; W94-F97 PolarHBondContact O-N 2.71Å; F97-H100 CarbonylContact O-C 3.59Å; F97-H100 WeakPolarHBondContact O-CB 3.26Å; F97-H100 PolarHBondContact O-N 2.75Å; F97-H100 VanDerWaalsContact O-N 3.13Å; F97-W101 HydrophobicContact CD1-CE3 4.1Å; F97-W101 HydrophobicContact CE1-CD2 4.28Å; F97-W101 AromaticContact CE1-CE3 3.35Å; F97-W101 HydrophobicContact CE1-CE3 3.35Å; F97-W101 AromaticContact CE1-CZ3 3.75Å; F97-W101 HydrophobicContact CE1-CZ3 3.75Å; F97-W101 HydrophobicContact CZ-CE3 4.02Å; F97-W101 HydrophobicContact CZ-CZ3 4.14Å; F97-W101 WeakPolarHBondContact O-CB 3.5Å; F97-W101 PolarHBondContact O-N 3.2Å
98	Q	41.7	Very low	43.6	Very low	62 Å²	62	88.8 Å²	88.8	29%	0.29	46%	0.455	S	S	.	.	H	α-helix	trans	-60.2	-46.6	173.7	-81.2	-162.9	-21.3	0	0	111.4	W94 H100 W101 Y102	W94-Q98 HydrophobicContact CD2-CG 4.41Å; W94-Q98 HydrophobicContact CG-CG 4.47Å; W94-Q98 HydrophobicContact CZ2-CG 4.33Å; W94-Q98 WeakPolarHBondContact O-CB 3.22Å; W94-Q98 WeakPolarHBondContact O-CG 3.48Å; W94-Q98 PolarHBondContact O-N 3.38Å; Q98-H100 PolarHBondContact O-N 2.89Å; Q98-W101 PolarHBondContact O-N 3.34Å; Q98-W101 VanDerWaalsContact O-N 3.15Å; Q98-Y102 HydrophobicContact CB-CD2 3.99Å; Q98-Y102 HydrophobicContact CB-CE2 4.1Å; Q98-Y102 HydrophobicContact CG-CD2 4.44Å; Q98-Y102 HydrophobicContact CG-CE2 4.06Å; Q98-Y102 WeakPolarHBondContact O-CB 3.31Å; Q98-Y102 WeakPolarHBondContact O-CD2 3.48Å; Q98-Y102 PolarHBondContact O-N 3.47Å
99	R	38.7	Very low	42.5	Very low	205 Å²	205	92 Å²	92	77%	0.774	46%	0.459	S	S	*	.	H	α-helix	trans	-58.2	-37.2	174.7	-77.8	179	-177.8	-177.8	1.2	111.7	N95 S103	N95-R99 WeakPolarHBondContact O-CB 3.37Å; N95-R99 VanDerWaalsContact O-CG 3.3Å; N95-R99 WeakPolarHBondContact O-CG 3.34Å; N95-R99 PolarHBondContact O-N 2.93Å; R99-S103 WeakPolarHBondContact O-CB 3.45Å; R99-S103 PolarHBondContact O-N 3.39Å; R99-S103 VanDerWaalsContact O-N 3.12Å; R99-S103 PolarHBondContact O-OG 3.33Å
100	H	41	Very low	41.5	Very low	82 Å²	82	100 Å²	100	38%	0.38	48%	0.482	S	S	.	.	H	α-helix	trans	-72.5	-41.2	176.1	-150.7	59.3	0	0	0	112.4	S96 F97 Q98 S103 N104	S96-H100 WeakPolarHBondContact O-CB 3.28Å; S96-H100 PolarHBondContact O-N 3.39Å; F97-H100 CarbonylContact O-C 3.59Å; F97-H100 WeakPolarHBondContact O-CB 3.26Å; F97-H100 PolarHBondContact O-N 2.75Å; F97-H100 VanDerWaalsContact O-N 3.13Å; Q98-H100 PolarHBondContact O-N 2.89Å; H100-S103 PolarHBondContact O-N 2.79Å; H100-S103 PolarHBondContact O-OG 2.84Å; H100-N104 PolarHBondContact O-N 3.01Å
101	W	38.3	Very low	40.5	Very low	82 Å²	82	100.6 Å²	100.6	31%	0.311	49%	0.486	S	S	.	.	H	α-helix	trans	-71.2	-38.7	-176.7	-163.5	-89.2	0	0	0	112.5	F97 Q98 M107 G108 I111	F97-W101 HydrophobicContact CD1-CE3 4.1Å; F97-W101 HydrophobicContact CE1-CD2 4.28Å; F97-W101 AromaticContact CE1-CE3 3.35Å; F97-W101 HydrophobicContact CE1-CE3 3.35Å; F97-W101 AromaticContact CE1-CZ3 3.75Å; F97-W101 HydrophobicContact CE1-CZ3 3.75Å; F97-W101 HydrophobicContact CZ-CE3 4.02Å; F97-W101 HydrophobicContact CZ-CZ3 4.14Å; F97-W101 WeakPolarHBondContact O-CB 3.5Å; F97-W101 PolarHBondContact O-N 3.2Å; Q98-W101 PolarHBondContact O-N 3.34Å; Q98-W101 VanDerWaalsContact O-N 3.15Å; W101-M107 HydrophobicContact CH2-SD 4.43Å; W101-M107 HydrophobicContact CZ2-CB 4.25Å; W101-M107 HydrophobicContact CZ2-CG 4.14Å; W101-M107 PolarHBondContact NE1-O 2.88Å; W101-G108 VanDerWaalsContact NE1-CA 3.28Å; W101-I111 HydrophobicContact CZ2-CD1 3.7Å
102	Y	35.1	Very low	39.6	Very low	98 Å²	98	97.7 Å²	97.7	38%	0.384	48%	0.477	S	S	.	.	H	α-helix	trans	-81.9	-20.9	174	-71.4	-67.6	0	0	0	113.1	Q98 N104	Q98-Y102 HydrophobicContact CB-CD2 3.99Å; Q98-Y102 HydrophobicContact CB-CE2 4.1Å; Q98-Y102 HydrophobicContact CG-CD2 4.44Å; Q98-Y102 HydrophobicContact CG-CE2 4.06Å; Q98-Y102 WeakPolarHBondContact O-CB 3.31Å; Q98-Y102 WeakPolarHBondContact O-CD2 3.48Å; Q98-Y102 PolarHBondContact O-N 3.47Å; Y102-N104 PolarHBondContact O-N 3.47Å
103	S	40.1	Very low	38.6	Very low	75 Å²	75	98.6 Å²	98.6	52%	0.524	48%	0.483	S	S	.	.	H	α-helix	trans	-73.5	-16	169.9	79.2	0	0	0	0	113.3	R99 H100	R99-S103 WeakPolarHBondContact O-CB 3.45Å; R99-S103 PolarHBondContact O-N 3.39Å; R99-S103 VanDerWaalsContact O-N 3.12Å; R99-S103 PolarHBondContact O-OG 3.33Å; H100-S103 PolarHBondContact O-N 2.79Å; H100-S103 PolarHBondContact O-OG 2.84Å
104	N	37.6	Very low	37.8	Very low	83 Å²	83	102.8 Å²	102.8	44%	0.444	49%	0.494	S	S	.	.	S	Bend	trans	-94.5	86.2	167.9	-76.5	-21.8	0	0	0	108.1	H100 Y102 T106 M107	H100-N104 PolarHBondContact O-N 3.01Å; Y102-N104 PolarHBondContact O-N 3.47Å; N104-T106 PolarHBondContact O-N 2.89Å; N104-M107 PolarHBondContact O-N 3.47Å; N104-M107 VanDerWaalsContact O-N 3.1Å
105	D	38.1	Very low	36.9	Very low	124 Å²	124	103.2 Å²	103.2	66%	0.663	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-8.5	-178.3	-76.1	-37.7	0	0	0	115.8
106	T	41.1	Very low	36	Very low	117 Å²	117	102.9 Å²	102.9	72%	0.718	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-17.4	-175.5	50.1	0	0	0	0	115.1	N104	N104-T106 PolarHBondContact O-N 2.89Å
107	M	32.3	Very low	35.3	Very low	111 Å²	111	107.4 Å²	107.4	55%	0.547	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-30.7	-172.9	-125.5	167.7	178.7	0	0	113.9	W101 N104	W101-M107 HydrophobicContact CH2-SD 4.43Å; W101-M107 HydrophobicContact CZ2-CB 4.25Å; W101-M107 HydrophobicContact CZ2-CG 4.14Å; W101-M107 PolarHBondContact NE1-O 2.88Å; N104-M107 PolarHBondContact O-N 3.47Å; N104-M107 VanDerWaalsContact O-N 3.1Å
108	G	31.3	Very low	34.6	Very low	1 Å²	1	110.3 Å²	110.3	1%	0.01	54%	0.539	C	S	.	.	H	α-helix	trans	-66.7	-49.9	175.7	0	0	0	0	0	114.8	W101 R110 I111 A112	W101-G108 VanDerWaalsContact NE1-CA 3.28Å; G108-R110 VanDerWaalsContact C-N 3.33Å; G108-R110 PolarHBondContact O-N 3.11Å; G108-I111 PolarHBondContact O-N 3.45Å; G108-A112 WeakPolarHBondContact O-CB 3.21Å; G108-A112 PolarHBondContact O-N 3.44Å; G108-A112 VanDerWaalsContact O-N 3.13Å
109	Y	27.7	Very low	34.2	Very low	151 Å²	151	112.5 Å²	112.5	59%	0.592	56%	0.558	S	S	*	*	H	α-helix	trans	-70	-27.2	-175.3	-75.1	-81	0	0	0	113.6	S113	Y109-S113 VanDerWaalsContact O-CB 3.3Å; Y109-S113 WeakPolarHBondContact O-CB 3.46Å; Y109-S113 PolarHBondContact O-N 2.96Å; Y109-S113 PolarHBondContact O-OG 2.86Å
110	R	29.9	Very low	34.1	Very low	200 Å²	200	105.9 Å²	105.9	76%	0.755	55%	0.547	S	S	*	.	H	α-helix	trans	-78.6	-23.1	-179.3	-105.8	-178.1	175.8	-169.6	-0.6	114.6	G108 S113	G108-R110 VanDerWaalsContact C-N 3.33Å; G108-R110 PolarHBondContact O-N 3.11Å; R110-S113 PolarHBondContact O-OG 3.38Å
111	I	31.7	Very low	33.7	Very low	80 Å²	80	107.2 Å²	107.2	41%	0.41	57%	0.572	S	S	.	*	H	α-helix	trans	-96	-38.9	178.2	-60.9	-169.8	0	0	0	110.4	W101 G108 S113 K114 L115	W101-I111 HydrophobicContact CZ2-CD1 3.7Å; G108-I111 PolarHBondContact O-N 3.45Å; I111-S113 VanDerWaalsContact C-N 3.29Å; I111-S113 PolarHBondContact O-N 3.35Å; I111-K114 PolarHBondContact O-N 2.93Å; I111-L115 HydrophobicContact CG2-CD1 3.51Å; I111-L115 PolarHBondContact O-N 3.41Å
112	A	31.4	Very low	33.7	Very low	38 Å²	38	107.2 Å²	107.2	31%	0.314	60%	0.597	S	S	.	*	H	α-helix	trans	-64.1	-31.5	173.9	0	0	0	0	0	113.1	G108 K114 S116	G108-A112 WeakPolarHBondContact O-CB 3.21Å; G108-A112 PolarHBondContact O-N 3.44Å; G108-A112 VanDerWaalsContact O-N 3.13Å; A112-K114 VanDerWaalsContact C-N 3.26Å; A112-K114 PolarHBondContact O-N 3.24Å; A112-S116 WeakPolarHBondContact O-CB 3.41Å; A112-S116 PolarHBondContact O-N 3.02Å; A112-S116 PolarHBondContact O-OG 3.05Å
113	S	30.4	Very low	33.7	Very low	79 Å²	79	109.9 Å²	109.9	55%	0.552	61%	0.614	S	S	*	*	H	α-helix	trans	-74.6	-10.4	173.1	53.4	0	0	0	0	114.6	Y109 R110 I111	Y109-S113 VanDerWaalsContact O-CB 3.3Å; Y109-S113 WeakPolarHBondContact O-CB 3.46Å; Y109-S113 PolarHBondContact O-N 2.96Å; Y109-S113 PolarHBondContact O-OG 2.86Å; R110-S113 PolarHBondContact O-OG 3.38Å; I111-S113 VanDerWaalsContact C-N 3.29Å; I111-S113 PolarHBondContact O-N 3.35Å
114	K	33.4	Very low	33.5	Very low	178 Å²	178	115.1 Å²	115.1	77%	0.774	63%	0.63	S	S	*	*	H	α-helix	trans	-107.6	-16.7	173.8	-74.1	-165.1	173.8	-168.9	0	114	I111 A112	I111-K114 PolarHBondContact O-N 2.93Å; A112-K114 VanDerWaalsContact C-N 3.26Å; A112-K114 PolarHBondContact O-N 3.24Å
115	L	30.6	Very low	33.7	Very low	132 Å²	132	117.2 Å²	117.2	69%	0.691	65%	0.645	S	S	*	*	H	α-helix	trans	-101.2	-6.9	174.9	-90.3	140.8	0	0	0	113.7	I111 M117	I111-L115 HydrophobicContact CG2-CD1 3.51Å; I111-L115 PolarHBondContact O-N 3.41Å; L115-M117 PolarHBondContact O-N 3.46Å
116	S	29.1	Very low	33.6	Very low	75 Å²	75	116.4 Å²	116.4	52%	0.524	64%	0.64	S	S	.	*			trans	-74	69.8	158.1	42.6	0	0	0	0	108.8	A112 Q118	A112-S116 WeakPolarHBondContact O-CB 3.41Å; A112-S116 PolarHBondContact O-N 3.02Å; A112-S116 PolarHBondContact O-OG 3.05Å; S116-Q118 PolarHBondContact O-N 2.87Å
117	M	33.1	Very low	33.2	Very low	175 Å²	175	115.7 Å²	115.7	86%	0.862	64%	0.637	S	S	*	*			trans	-62.8	91.7	151.9	-79.2	-173	167.8	0	0	105.6	L115	L115-M117 PolarHBondContact O-N 3.46Å
118	Q	34.8	Very low	33.5	Very low	169 Å²	169	118 Å²	118	79%	0.79	65%	0.652	S	S	*	*			trans	-41.6	133.1	154.2	-74.5	175.9	-41.8	0	0	106.8	S116 A120	S116-Q118 PolarHBondContact O-N 2.87Å; Q118-A120 PolarHBondContact O-N 3.21Å
119	P	32.5	Very low	33.6	Very low	108 Å²	108	123.7 Å²	123.7	70%	0.701	68%	0.676	S	S	*	*			trans	-50.1	124.5	172.3	21.8	-31.2	0	0	0	106.8	A121	P119-A121 PolarHBondContact O-N 2.75Å
120	A	35.7	Very low	34	Very low	65 Å²	65	119.5 Å²	119.5	54%	0.537	67%	0.668	S	S	.	*			trans	-50	121.5	-178.8	0	0	0	0	0	107.8	Q118 G122 Q123	Q118-A120 PolarHBondContact O-N 3.21Å; A120-G122 PolarHBondContact O-N 2.84Å; A120-Q123 PolarHBondContact O-N 3.43Å
121	A	33.8	Very low	34.5	Very low	111 Å²	111	114.9 Å²	114.9	92%	0.917	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.7	113.7	178.7	0	0	0	0	0	108.4	P119	P119-A121 PolarHBondContact O-N 2.75Å
122	G	38.4	Very low	34.7	Very low	81 Å²	81	117.6 Å²	117.6	84%	0.835	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	117.3	0.8	-179.5	0	0	0	0	0	117.1	A120	A120-G122 PolarHBondContact O-N 2.84Å
123	Q	35	Very low	34.9	Very low	155 Å²	155	123.4 Å²	123.4	72%	0.724	69%	0.687	S	S	*	*			trans	-94.1	112.5	168.5	-82.4	-176	-31.1	0	0	111.5	A120 V125	A120-Q123 PolarHBondContact O-N 3.43Å; Q123-V125 PolarHBondContact O-N 2.96Å; Q123-V125 VanDerWaalsContact O-N 3.15Å
124	E	35.7	Very low	35.3	Very low	184 Å²	184	126 Å²	126	86%	0.86	69%	0.688	S	S	*	*			trans	-56.3	114.7	168.7	-68.6	-178.5	163.2	0	0	109.3	I126	E124-I126 PolarHBondContact O-N 2.86Å
125	V	40.9	Very low	35.8	Very low	127 Å²	127	122.4 Å²	122.4	77%	0.77	68%	0.677	S	S	*	*			trans	-65.6	100.7	171.5	178	0	0	0	0	106.8	Q123 P127	Q123-V125 PolarHBondContact O-N 2.96Å; Q123-V125 VanDerWaalsContact O-N 3.15Å; V125-P127 WeakPolarHBondContact O-CD 3.38Å; V125-P127 VanDerWaalsContact O-N 3.1Å
126	I	36.8	Very low	36.6	Very low	107 Å²	107	118.2 Å²	118.2	55%	0.549	66%	0.657	S	S	.	*			trans	-61.5	111.1	172.6	-59.7	171	0	0	0	107.1	E124 N128 F129	E124-I126 PolarHBondContact O-N 2.86Å; I126-N128 PolarHBondContact O-N 2.67Å; I126-F129 HydrophobicContact CB-CD2 4.28Å; I126-F129 HydrophobicContact CD1-CD2 4.23Å; I126-F129 HydrophobicContact CD1-CE2 4.22Å; I126-F129 HydrophobicContact CG2-CD2 4.28Å
127	P	33.3	Very low	37.3	Very low	103 Å²	103	121.5 Å²	121.5	67%	0.669	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	127.5	175.5	30.4	-27.7	0	0	0	106.6	V125	V125-P127 WeakPolarHBondContact O-CD 3.38Å; V125-P127 VanDerWaalsContact O-N 3.1Å
128	N	38.6	Very low	38	Very low	160 Å²	160	118 Å²	118	86%	0.856	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.6	15.2	-176.3	-50.4	-26.8	0	0	0	117.4	I126	I126-N128 PolarHBondContact O-N 2.67Å
129	F	32.2	Very low	38.8	Very low	119 Å²	119	113.9 Å²	113.9	52%	0.522	63%	0.627	S	S	.	*			trans	-66.8	127.6	161.8	-126.3	-92.9	0	0	0	109.3	I126 T131 F134	I126-F129 HydrophobicContact CB-CD2 4.28Å; I126-F129 HydrophobicContact CD1-CD2 4.23Å; I126-F129 HydrophobicContact CD1-CE2 4.22Å; I126-F129 HydrophobicContact CG2-CD2 4.28Å; F129-T131 PolarHBondContact O-N 2.94Å; F129-F134 HydrophobicContact CD1-CE2 4.1Å
130	P	37	Very low	39.7	Very low	63 Å²	63	111.9 Å²	111.9	41%	0.409	61%	0.61	S	S	.	*			trans	-61.8	108.8	-174.9	22.1	-30.8	0	0	0	109.2	E132 W133	P130-E132 PolarHBondContact O-N 3.47Å; P130-W133 HydrophobicContact CG-CB 4.41Å; P130-W133 HydrophobicContact CG-CG 4.47Å; P130-W133 WeakPolarHBondContact O-CB 3.28Å; P130-W133 PolarHBondContact O-N 2.9Å
131	T	39.1	Very low	40.4	Very low	104 Å²	104	116.1 Å²	116.1	64%	0.638	61%	0.612	S	S	*	*	H	α-helix	trans	-52.8	-24.1	174.8	37.3	0	0	0	0	112.3	F129 W133 F134 L135	F129-T131 PolarHBondContact O-N 2.94Å; T131-W133 VanDerWaalsContact C-N 3.31Å; T131-W133 PolarHBondContact O-N 3.45Å; T131-F134 PolarHBondContact O-N 3.37Å; T131-L135 WeakPolarHBondContact O-CG 3.33Å; T131-L135 PolarHBondContact O-N 2.84Å; T131-L135 VanDerWaalsContact O-N 3.11Å
132	E	37.4	Very low	41.4	Very low	136 Å²	136	113.8 Å²	113.8	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-61.8	-34.8	174.1	-57.9	-176.1	177.6	0	0	112.8	P130 L135 V136	P130-E132 PolarHBondContact O-N 3.47Å; E132-L135 PolarHBondContact O-N 3.4Å; E132-V136 WeakPolarHBondContact O-CB 3.29Å; E132-V136 WeakPolarHBondContact O-CG2 3.32Å; E132-V136 PolarHBondContact O-N 2.92Å
133	W	35.4	Very low	42	Very low	161 Å²	161	111.7 Å²	111.7	61%	0.61	56%	0.561	S	S	*	*	H	α-helix	trans	-70.2	-42	178.9	-102.8	65.3	0	0	0	112.3	P130 T131 L135 V136 Y137	P130-W133 HydrophobicContact CG-CB 4.41Å; P130-W133 HydrophobicContact CG-CG 4.47Å; P130-W133 WeakPolarHBondContact O-CB 3.28Å; P130-W133 PolarHBondContact O-N 2.9Å; T131-W133 VanDerWaalsContact C-N 3.31Å; T131-W133 PolarHBondContact O-N 3.45Å; W133-L135 VanDerWaalsContact C-N 3.35Å; W133-V136 PolarHBondContact O-N 2.94Å; W133-Y137 AromaticContact CE3-CD2 4Å; W133-Y137 HydrophobicContact CE3-CD2 4Å; W133-Y137 AromaticContact CE3-CE2 3.55Å; W133-Y137 HydrophobicContact CE3-CE2 3.55Å; W133-Y137 HydrophobicContact CH2-CE2 4.5Å; W133-Y137 HydrophobicContact CZ3-CD2 4.41Å; W133-Y137 AromaticContact CZ3-CE2 3.52Å; W133-Y137 HydrophobicContact CZ3-CE2 3.52Å; W133-Y137 WeakPolarHBondContact O-CD2 3.31Å; W133-Y137 PolarHBondContact O-N 2.89Å
134	F	38.2	Very low	42.7	Very low	132 Å²	132	108.4 Å²	108.4	58%	0.579	55%	0.548	S	S	*	.	H	α-helix	trans	-64.1	-41.7	174.6	-81.4	-82.6	0	0	0	111.3	F129 T131 V136 Y137 D138	F129-F134 HydrophobicContact CD1-CE2 4.1Å; T131-F134 PolarHBondContact O-N 3.37Å; F134-V136 PolarHBondContact O-N 2.72Å; F134-Y137 PolarHBondContact O-N 2.89Å; F134-D138 WeakPolarHBondContact O-CB 3.17Å; F134-D138 PolarHBondContact O-N 3.45Å
135	L	43.3	Very low	43.4	Very low	103 Å²	103	103.7 Å²	103.7	54%	0.539	53%	0.527	S	S	.	.	H	α-helix	trans	-62.3	-41.8	176	-77.2	163.2	0	0	0	112.4	T131 E132 W133 L139	T131-L135 WeakPolarHBondContact O-CG 3.33Å; T131-L135 PolarHBondContact O-N 2.84Å; T131-L135 VanDerWaalsContact O-N 3.11Å; E132-L135 PolarHBondContact O-N 3.4Å; W133-L135 VanDerWaalsContact C-N 3.35Å; L135-L139 VanDerWaalsContact O-CB 3.26Å; L135-L139 WeakPolarHBondContact O-CB 3.37Å; L135-L139 WeakPolarHBondContact O-CD1 3.48Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.2Å; L135-L139 PolarHBondContact O-N 2.98Å
136	V	47.4	Very low	44.2	Very low	45 Å²	45	101.7 Å²	101.7	27%	0.273	51%	0.512	S	S	.	.	H	α-helix	trans	-67.6	-42.9	177.5	171.8	0	0	0	0	111.1	E132 W133 F134 L139 I140	E132-V136 WeakPolarHBondContact O-CB 3.29Å; E132-V136 WeakPolarHBondContact O-CG2 3.32Å; E132-V136 PolarHBondContact O-N 2.92Å; W133-V136 PolarHBondContact O-N 2.94Å; F134-V136 PolarHBondContact O-N 2.72Å; V136-L139 PolarHBondContact O-N 2.93Å; V136-I140 HydrophobicContact CG1-CD1 3.67Å; V136-I140 HydrophobicContact CG1-CG1 4.34Å; V136-I140 WeakPolarHBondContact O-CB 3.38Å; V136-I140 WeakPolarHBondContact O-CG1 3.28Å; V136-I140 PolarHBondContact O-N 2.96Å
137	Y	44.1	Very low	44.9	Very low	144 Å²	144	99.7 Å²	99.7	57%	0.565	50%	0.504	S	S	*	.	H	α-helix	trans	-63.5	-43	175.5	-97.1	-84.3	0	0	0	112.1	W133 F134 I140 W141	W133-Y137 AromaticContact CE3-CD2 4Å; W133-Y137 HydrophobicContact CE3-CD2 4Å; W133-Y137 AromaticContact CE3-CE2 3.55Å; W133-Y137 HydrophobicContact CE3-CE2 3.55Å; W133-Y137 HydrophobicContact CH2-CE2 4.5Å; W133-Y137 HydrophobicContact CZ3-CD2 4.41Å; W133-Y137 AromaticContact CZ3-CE2 3.52Å; W133-Y137 HydrophobicContact CZ3-CE2 3.52Å; W133-Y137 WeakPolarHBondContact O-CD2 3.31Å; W133-Y137 PolarHBondContact O-N 2.89Å; F134-Y137 PolarHBondContact O-N 2.89Å; Y137-I140 PolarHBondContact O-N 3.37Å; Y137-W141 VanDerWaalsContact O-CB 3.26Å; Y137-W141 WeakPolarHBondContact O-CB 3.41Å; Y137-W141 PolarHBondContact O-N 3.04Å
138	D	49.3	Very low	45.7	Very low	102 Å²	102	98.9 Å²	98.9	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-63.3	-43.2	174.8	-86.3	-6.8	0	0	0	111.2	F134 W141 T142	F134-D138 WeakPolarHBondContact O-CB 3.17Å; F134-D138 PolarHBondContact O-N 3.45Å; D138-W141 PolarHBondContact O-N 3.35Å; D138-T142 VanDerWaalsContact O-CB 3.31Å; D138-T142 WeakPolarHBondContact O-CB 3.37Å; D138-T142 PolarHBondContact O-N 3.24Å; D138-T142 PolarHBondContact O-OG1 2.94Å
139	L	50.5	Low	46.3	Very low	81 Å²	81	96 Å²	96	42%	0.424	48%	0.478	S	S	.	.	H	α-helix	trans	-62.3	-44.6	176.2	-83.5	158.8	0	0	0	112	L135 V136 T142 A143	L135-L139 VanDerWaalsContact O-CB 3.26Å; L135-L139 WeakPolarHBondContact O-CB 3.37Å; L135-L139 WeakPolarHBondContact O-CD1 3.48Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.2Å; L135-L139 PolarHBondContact O-N 2.98Å; V136-L139 PolarHBondContact O-N 2.93Å; L139-T142 PolarHBondContact O-N 3.45Å; L139-A143 VanDerWaalsContact O-CB 3.28Å; L139-A143 WeakPolarHBondContact O-CB 3.46Å; L139-A143 PolarHBondContact O-N 3.34Å
140	I	52.2	Low	47.2	Very low	67 Å²	67	91.3 Å²	91.3	34%	0.344	46%	0.459	S	S	.	.	H	α-helix	trans	-63.2	-44.8	176.6	-70.7	167.2	0	0	0	110.1	L64 V136 Y137 A143 L144	L64-I140 HydrophobicContact CD1-CG1 4.45Å; V136-I140 HydrophobicContact CG1-CD1 3.67Å; V136-I140 HydrophobicContact CG1-CG1 4.34Å; V136-I140 WeakPolarHBondContact O-CB 3.38Å; V136-I140 WeakPolarHBondContact O-CG1 3.28Å; V136-I140 PolarHBondContact O-N 2.96Å; Y137-I140 PolarHBondContact O-N 3.37Å; I140-A143 PolarHBondContact O-N 2.83Å; I140-L144 HydrophobicContact CG2-CD1 4.1Å; I140-L144 WeakPolarHBondContact O-CB 3.17Å; I140-L144 PolarHBondContact O-N 2.72Å
141	W	50.3	Low	47.8	Very low	153 Å²	153	93.3 Å²	93.3	58%	0.58	46%	0.463	S	S	*	.	H	α-helix	trans	-64.8	-42.1	178.7	-169.2	-111.7	0	0	0	111.9	Y137 D138 L144 M145	Y137-W141 VanDerWaalsContact O-CB 3.26Å; Y137-W141 WeakPolarHBondContact O-CB 3.41Å; Y137-W141 PolarHBondContact O-N 3.04Å; D138-W141 PolarHBondContact O-N 3.35Å; W141-L144 PolarHBondContact O-N 3Å; W141-M145 HydrophobicContact CD2-CE 4.14Å; W141-M145 HydrophobicContact CH2-CE 3.66Å; W141-M145 HydrophobicContact CZ2-CE 3.08Å; W141-M145 HydrophobicContact CZ3-CE 4.37Å; W141-M145 WeakPolarHBondContact O-CB 3.37Å; W141-M145 VanDerWaalsContact O-CG 3.29Å; W141-M145 WeakPolarHBondContact O-CG 3.41Å; W141-M145 PolarHBondContact O-N 3.44Å
142	T	53.3	Low	48.1	Very low	62 Å²	62	89.8 Å²	89.8	38%	0.38	44%	0.444	S	S	.	.	H	α-helix	trans	-64.7	-42.2	176.6	-45.9	0	0	0	0	110.5	W94 D138 L139 M145 L146	W94-T142 HydrophobicContact CZ3-CG2 4.39Å; D138-T142 VanDerWaalsContact O-CB 3.31Å; D138-T142 WeakPolarHBondContact O-CB 3.37Å; D138-T142 PolarHBondContact O-N 3.24Å; D138-T142 PolarHBondContact O-OG1 2.94Å; L139-T142 PolarHBondContact O-N 3.45Å; T142-M145 PolarHBondContact O-N 3.34Å; T142-L146 WeakPolarHBondContact O-CB 3.47Å; T142-L146 PolarHBondContact O-N 3.46Å
143	A	52	Low	48.5	Very low	38 Å²	38	87.4 Å²	87.4	31%	0.314	43%	0.429	S	S	.	.	H	α-helix	trans	-64.3	-41.2	175	0	0	0	0	0	112.1	L139 I140 T147	L139-A143 VanDerWaalsContact O-CB 3.28Å; L139-A143 WeakPolarHBondContact O-CB 3.46Å; L139-A143 PolarHBondContact O-N 3.34Å; I140-A143 PolarHBondContact O-N 2.83Å; A143-T147 VanDerWaalsContact O-CB 3.29Å; A143-T147 WeakPolarHBondContact O-CB 3.44Å; A143-T147 PolarHBondContact O-N 3.44Å; A143-T147 PolarHBondContact O-OG1 3.32Å
144	L	50.1	Low	49.1	Very low	85 Å²	85	84.5 Å²	84.5	45%	0.445	43%	0.425	S	S	.	.	H	α-helix	trans	-61.7	-49	174.2	-108.4	151.1	0	0	0	111.4	I140 W141 L146 T147 L148	I140-L144 HydrophobicContact CG2-CD1 4.1Å; I140-L144 WeakPolarHBondContact O-CB 3.17Å; I140-L144 PolarHBondContact O-N 2.72Å; W141-L144 PolarHBondContact O-N 3Å; L144-L146 PolarHBondContact O-N 2.87Å; L144-T147 PolarHBondContact O-N 2.84Å; L144-L148 WeakPolarHBondContact O-CB 3.34Å; L144-L148 VanDerWaalsContact O-CG 3.32Å; L144-L148 WeakPolarHBondContact O-CG 3.45Å; L144-L148 PolarHBondContact O-N 2.87Å
145	M	51	Low	49.3	Very low	86 Å²	86	83.1 Å²	83.1	42%	0.424	43%	0.428	S	S	.	.	H	α-helix	trans	-64.2	-41.2	179.1	-73	-62.9	164	0	0	112	W141 T142 T147 L148 L149	W141-M145 HydrophobicContact CD2-CE 4.14Å; W141-M145 HydrophobicContact CH2-CE 3.66Å; W141-M145 HydrophobicContact CZ2-CE 3.08Å; W141-M145 HydrophobicContact CZ3-CE 4.37Å; W141-M145 WeakPolarHBondContact O-CB 3.37Å; W141-M145 VanDerWaalsContact O-CG 3.29Å; W141-M145 WeakPolarHBondContact O-CG 3.41Å; W141-M145 PolarHBondContact O-N 3.44Å; T142-M145 PolarHBondContact O-N 3.34Å; M145-T147 VanDerWaalsContact C-N 3.34Å; M145-L148 PolarHBondContact O-N 3.28Å; M145-L148 HydrophobicContact SD-CD1 4.45Å; M145-L149 VanDerWaalsContact O-CB 3.28Å; M145-L149 WeakPolarHBondContact O-CB 3.21Å; M145-L149 PolarHBondContact O-N 3.5Å
146	L	56.8	Low	49	Very low	85 Å²	85	80.9 Å²	80.9	45%	0.445	43%	0.43	S	S	.	.	H	α-helix	trans	-65.2	-39.9	175.7	-163.2	75.8	0	0	0	111.1	C53 T142 L144 L149 V150	C53-L146 WeakPolarHBondContact SG-CD2 3.31Å; T142-L146 WeakPolarHBondContact O-CB 3.47Å; T142-L146 PolarHBondContact O-N 3.46Å; L144-L146 PolarHBondContact O-N 2.87Å; L146-L149 PolarHBondContact O-N 3Å; L146-V150 WeakPolarHBondContact O-CB 3.37Å; L146-V150 VanDerWaalsContact O-CG2 3.22Å; L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 3.49Å
147	T	51.6	Low	48.5	Very low	65 Å²	65	82.7 Å²	82.7	40%	0.399	44%	0.444	S	S	.	.	H	α-helix	trans	-66.2	-44.9	176.4	-56.4	0	0	0	0	111.3	A143 L144 M145 L149 V150 Q151	A143-T147 VanDerWaalsContact O-CB 3.29Å; A143-T147 WeakPolarHBondContact O-CB 3.44Å; A143-T147 PolarHBondContact O-N 3.44Å; A143-T147 PolarHBondContact O-OG1 3.32Å; L144-T147 PolarHBondContact O-N 2.84Å; M145-T147 VanDerWaalsContact C-N 3.34Å; T147-L149 VanDerWaalsContact C-N 3.33Å; T147-L149 PolarHBondContact O-N 3.33Å; T147-V150 PolarHBondContact O-N 3.5Å; T147-Q151 WeakPolarHBondContact O-CB 3.32Å; T147-Q151 WeakPolarHBondContact O-CG 3.45Å; T147-Q151 PolarHBondContact O-N 3.3Å
148	L	50.6	Low	48.1	Very low	85 Å²	85	79.5 Å²	79.5	45%	0.445	44%	0.436	S	S	.	.	H	α-helix	trans	-62.9	-39.4	175.4	-72.4	171.7	0	0	0	111.6	L144 M145 Q151 A152	L144-L148 WeakPolarHBondContact O-CB 3.34Å; L144-L148 VanDerWaalsContact O-CG 3.32Å; L144-L148 WeakPolarHBondContact O-CG 3.45Å; L144-L148 PolarHBondContact O-N 2.87Å; M145-L148 PolarHBondContact O-N 3.28Å; M145-L148 HydrophobicContact SD-CD1 4.45Å; L148-Q151 PolarHBondContact O-N 3.02Å; L148-A152 VanDerWaalsContact O-CB 3.31Å; L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 3.48Å
149	L	50.7	Low	47.4	Very low	101 Å²	101	80.5 Å²	80.5	53%	0.529	45%	0.448	S	S	.	.	H	α-helix	trans	-64.7	-43.5	175.8	-164	99.3	0	0	0	111.2	M145 L146 T147 A152 W153	M145-L149 VanDerWaalsContact O-CB 3.28Å; M145-L149 WeakPolarHBondContact O-CB 3.21Å; M145-L149 PolarHBondContact O-N 3.5Å; L146-L149 PolarHBondContact O-N 3Å; T147-L149 VanDerWaalsContact C-N 3.33Å; T147-L149 PolarHBondContact O-N 3.33Å; L149-A152 PolarHBondContact O-N 3.36Å; L149-W153 WeakPolarHBondContact O-CB 3.41Å; L149-W153 PolarHBondContact O-N 3.39Å
150	V	51.9	Low	46.5	Very low	19 Å²	19	84.7 Å²	84.7	12%	0.115	46%	0.46	C	S	.	.	H	α-helix	trans	-65.5	-39.5	175.4	170.8	0	0	0	0	110.9	C53 I54 L146 T147 W153 L154	C53-V150 HydrophobicContact CB-CG2 3.99Å; I54-V150 HydrophobicContact CG1-CG1 4.45Å; L146-V150 WeakPolarHBondContact O-CB 3.37Å; L146-V150 VanDerWaalsContact O-CG2 3.22Å; L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 3.49Å; T147-V150 PolarHBondContact O-N 3.5Å; V150-W153 PolarHBondContact O-N 2.91Å; V150-L154 HydrophobicContact CG1-CD1 3.86Å; V150-L154 HydrophobicContact CG1-CG 4.31Å; V150-L154 WeakPolarHBondContact O-CB 3.36Å; V150-L154 VanDerWaalsContact O-CG 3.26Å; V150-L154 WeakPolarHBondContact O-CG 3.16Å; V150-L154 PolarHBondContact O-N 3.32Å
151	Q	48	Very low	45.5	Very low	106 Å²	106	89 Å²	89	50%	0.495	48%	0.479	S	S	.	.	H	α-helix	trans	-65.4	-45.3	174.6	-78	178.3	-26.4	0	0	112	T147 L148 W153 L154 T155	T147-Q151 WeakPolarHBondContact O-CB 3.32Å; T147-Q151 WeakPolarHBondContact O-CG 3.45Å; T147-Q151 PolarHBondContact O-N 3.3Å; L148-Q151 PolarHBondContact O-N 3.02Å; Q151-W153 PolarHBondContact O-N 3.4Å; Q151-L154 PolarHBondContact O-N 2.88Å; Q151-T155 WeakPolarHBondContact O-CB 3.35Å; Q151-T155 VanDerWaalsContact O-CG2 3.31Å; Q151-T155 WeakPolarHBondContact O-CG2 3.31Å; Q151-T155 PolarHBondContact O-N 3.15Å; Q151-T155 PolarHBondContact O-OG1 2.91Å
152	A	46.2	Very low	44.5	Very low	29 Å²	29	92.3 Å²	92.3	24%	0.24	49%	0.491	C	S	.	.	H	α-helix	trans	-60.6	-37.8	174.2	0	0	0	0	0	111.2	L148 L149 T155 G156 S157 L158	L148-A152 VanDerWaalsContact O-CB 3.31Å; L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 3.48Å; L149-A152 PolarHBondContact O-N 3.36Å; A152-T155 WeakPolarHBondContact CA-OG1 3.45Å; A152-T155 PolarHBondContact O-OG1 3.3Å; A152-T155 VanDerWaalsContact O-OG1 3.08Å; A152-G156 PolarHBondContact O-N 2.78Å; A152-S157 WeakPolarHBondContact CA-OG 3.34Å; A152-S157 PolarHBondContact O-N 3.42Å; A152-S157 VanDerWaalsContact O-N 3.17Å; A152-S157 PolarHBondContact O-OG 3.32Å; A152-L158 HydrophobicContact CB-CD1 4.38Å
153	W	46.4	Very low	43.4	Very low	86 Å²	86	94.9 Å²	94.9	33%	0.326	50%	0.501	S	S	.	.	H	α-helix	trans	-70.1	-43.3	177.1	-169.5	80.3	0	0	0	112.9	M46 L149 V150 Q151 G156 L158	M46-W153 HydrophobicContact CB-CH2 3.2Å; M46-W153 HydrophobicContact CB-CZ2 3.29Å; M46-W153 HydrophobicContact CB-CZ3 4.14Å; M46-W153 HydrophobicContact CE-CZ2 3.79Å; M46-W153 HydrophobicContact CG-CH2 4.38Å; M46-W153 HydrophobicContact CG-CZ2 4.02Å; M46-W153 HydrophobicContact SD-CH2 4.48Å; M46-W153 HydrophobicContact SD-CZ2 3.57Å; M46-W153 VanDerWaalsContact SD-CZ2 3.57Å; L149-W153 WeakPolarHBondContact O-CB 3.41Å; L149-W153 PolarHBondContact O-N 3.39Å; V150-W153 PolarHBondContact O-N 2.91Å; Q151-W153 PolarHBondContact O-N 3.4Å; W153-G156 PolarHBondContact O-N 3.36Å; W153-L158 HydrophobicContact CB-CD1 3.9Å; W153-L158 HydrophobicContact CG-CD1 4.38Å
154	L	46.6	Very low	42.2	Very low	100 Å²	100	101 Å²	101	52%	0.524	52%	0.523	S	S	.	.	H	α-helix	trans	-68.2	-35.8	176.9	-74.5	170.9	0	0	0	113	I54 V150 Q151 G156	I54-L154 HydrophobicContact CD1-CD1 4.08Å; V150-L154 HydrophobicContact CG1-CD1 3.86Å; V150-L154 HydrophobicContact CG1-CG 4.31Å; V150-L154 WeakPolarHBondContact O-CB 3.36Å; V150-L154 VanDerWaalsContact O-CG 3.26Å; V150-L154 WeakPolarHBondContact O-CG 3.16Å; V150-L154 PolarHBondContact O-N 3.32Å; Q151-L154 PolarHBondContact O-N 2.88Å; L154-G156 PolarHBondContact O-N 3.08Å
155	T	43.8	Very low	41.2	Very low	104 Å²	104	102.5 Å²	102.5	64%	0.638	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-2.5	176.8	50.1	0	0	0	0	113.1	Q151 A152 S157	Q151-T155 WeakPolarHBondContact O-CB 3.35Å; Q151-T155 VanDerWaalsContact O-CG2 3.31Å; Q151-T155 WeakPolarHBondContact O-CG2 3.31Å; Q151-T155 PolarHBondContact O-N 3.15Å; Q151-T155 PolarHBondContact O-OG1 2.91Å; A152-T155 WeakPolarHBondContact CA-OG1 3.45Å; A152-T155 PolarHBondContact O-OG1 3.3Å; A152-T155 VanDerWaalsContact O-OG1 3.08Å; T155-S157 PolarHBondContact O-N 3.46Å; T155-S157 PolarHBondContact OG1-OG 2.75Å; T155-S157 VanDerWaalsContact OG1-OG 3.06Å
156	G	36.6	Very low	40.2	Very low	56 Å²	56	107 Å²	107	58%	0.577	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.9	15.4	179.9	0	0	0	0	0	113.6	A152 W153 L154 L158	A152-G156 PolarHBondContact O-N 2.78Å; W153-G156 PolarHBondContact O-N 3.36Å; L154-G156 PolarHBondContact O-N 3.08Å; G156-L158 PolarHBondContact O-N 3.49Å
157	S	37.4	Very low	39.2	Very low	82 Å²	82	109.7 Å²	109.7	57%	0.573	58%	0.577	S	S	*	*			trans	-77.8	-9.9	178.3	51.7	0	0	0	0	112.7	A152 T155	A152-S157 WeakPolarHBondContact CA-OG 3.34Å; A152-S157 PolarHBondContact O-N 3.42Å; A152-S157 VanDerWaalsContact O-N 3.17Å; A152-S157 PolarHBondContact O-OG 3.32Å; T155-S157 PolarHBondContact O-N 3.46Å; T155-S157 PolarHBondContact OG1-OG 2.75Å; T155-S157 VanDerWaalsContact OG1-OG 3.06Å
158	L	35.4	Very low	38.4	Very low	77 Å²	77	111.6 Å²	111.6	40%	0.403	59%	0.588	S	S	.	*	S	Bend	trans	-88.9	128.5	166.3	-77.4	161.4	0	0	0	110.1	A152 W153 G156 Y160	A152-L158 HydrophobicContact CB-CD1 4.38Å; W153-L158 HydrophobicContact CB-CD1 3.9Å; W153-L158 HydrophobicContact CG-CD1 4.38Å; G156-L158 PolarHBondContact O-N 3.49Å; L158-Y160 PolarHBondContact O-N 2.67Å
159	P	35	Very low	37.7	Very low	123 Å²	123	111.7 Å²	111.7	80%	0.799	60%	0.596	S	S	*	*			trans	-62.1	103.5	-173.6	23.9	-33	0	0	0	111	Q161	P159-Q161 PolarHBondContact O-N 2.88Å
160	Y	31.5	Very low	37.1	Very low	170 Å²	170	112.3 Å²	112.3	67%	0.667	61%	0.609	S	S	*	*			trans	-78.3	102.4	169.8	-169.6	-86.3	0	0	0	108.6	L158 R162	L158-Y160 PolarHBondContact O-N 2.67Å; Y160-R162 HydrophobicContact CD1-CG 3.95Å; Y160-R162 HydrophobicContact CE1-CB 4.44Å; Y160-R162 HydrophobicContact CE1-CG 3.69Å; Y160-R162 PolarHBondContact O-N 3.29Å; Y160-R162 VanDerWaalsContact O-N 3.12Å
161	Q	30.2	Very low	36.4	Very low	158 Å²	158	118.4 Å²	118.4	74%	0.738	64%	0.641	S	S	*	*			trans	-71.3	102.7	165.9	-87.8	-176.6	-18.6	0	0	109.1	P159 I163	P159-Q161 PolarHBondContact O-N 2.88Å; Q161-I163 PolarHBondContact O-N 3.42Å; Q161-I163 VanDerWaalsContact O-N 3.17Å
162	R	29.8	Very low	36.1	Very low	222 Å²	222	122.2 Å²	122.2	84%	0.838	66%	0.656	S	S	*	*			trans	-66.9	107.1	161.7	-99.6	-174	178.1	179.7	-0.2	108.1	Y160	Y160-R162 HydrophobicContact CD1-CG 3.95Å; Y160-R162 HydrophobicContact CE1-CB 4.44Å; Y160-R162 HydrophobicContact CE1-CG 3.69Å; Y160-R162 PolarHBondContact O-N 3.29Å; Y160-R162 VanDerWaalsContact O-N 3.12Å
163	I	29.8	Very low	36	Very low	115 Å²	115	123.5 Å²	123.5	59%	0.59	66%	0.663	S	S	*	*			trans	-96.8	103.8	165.9	-57.4	175	0	0	0	106.9	Q161 C165	Q161-I163 PolarHBondContact O-N 3.42Å; Q161-I163 VanDerWaalsContact O-N 3.17Å; I163-C165 PolarHBondContact O-N 2.83Å
164	E	26.9	Very low	35.9	Very low	167 Å²	167	126.9 Å²	126.9	78%	0.78	69%	0.687	S	S	*	*			trans	-63.7	118.1	165.7	-86.4	-177.6	165.9	0	0	109.2	K166	E164-K166 PolarHBondContact O-N 3.38Å
165	C	28.2	Very low	35.5	Very low	116 Å²	116	129 Å²	129	78%	0.784	70%	0.699	S	S	*	*			trans	-88.3	100	170.1	-67.6	0	0	0	0	108.5	I163	I163-C165 PolarHBondContact O-N 2.83Å
166	K	31.5	Very low	35.4	Very low	180 Å²	180	126.9 Å²	126.9	78%	0.783	69%	0.692	S	S	*	*			trans	-75.3	121	163	-77.6	-177	178	177.8	0	108.6	E164 V168	E164-K166 PolarHBondContact O-N 3.38Å; K166-V168 PolarHBondContact O-N 2.98Å; K166-V168 VanDerWaalsContact O-N 3.1Å
167	T	34.4	Very low	35.7	Very low	143 Å²	143	130.6 Å²	130.6	88%	0.877	70%	0.697	S	S	*	*			trans	-69.1	99.3	169.5	37.2	0	0	0	0	108.9	S169	T167-S169 PolarHBondContact O-N 3.41Å
168	V	35.9	Very low	35.7	Very low	105 Å²	105	133.9 Å²	133.9	64%	0.636	70%	0.704	S	S	*	*			trans	-76.8	111.6	168.9	-175.8	0	0	0	0	106.9	K166 S170 S173	K166-V168 PolarHBondContact O-N 2.98Å; K166-V168 VanDerWaalsContact O-N 3.1Å; V168-S170 PolarHBondContact O-N 3.28Å; V168-S173 WeakPolarHBondContact CG1-OG 3.48Å
169	S	36.4	Very low	35.8	Very low	87 Å²	87	135.1 Å²	135.1	61%	0.608	71%	0.71	S	S	*	*			trans	-60.1	129.9	173	59	0	0	0	0	109.3	T167 N171	T167-S169 PolarHBondContact O-N 3.41Å; S169-N171 PolarHBondContact O-N 2.96Å
170	S	36.3	Very low	36	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	12.9	-165.5	65.4	0	0	0	0	115.4	V168	V168-S170 PolarHBondContact O-N 3.28Å
171	N	39.1	Very low	36.4	Very low	148 Å²	148	133.8 Å²	133.8	79%	0.791	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	11.8	-171.2	-79.7	0.3	0	0	0	115.4	S169	S169-N171 PolarHBondContact O-N 2.96Å
172	K	41.4	Very low	36.9	Very low	185 Å²	185	131.4 Å²	131.4	80%	0.804	70%	0.703	S	S	*	*	S	Bend	trans	-143.4	0.2	-177.4	-78.5	-168.6	175.8	-180	0	118.6
173	S	42.7	Very low	37.5	Very low	56 Å²	56	128.5 Å²	128.5	39%	0.392	70%	0.696	S	S	.	*			trans	-113.4	0	-167	58	0	0	0	0	117.1	V168	V168-S173 WeakPolarHBondContact CG1-OG 3.48Å
174	L	44.3	Very low	37.9	Very low	158 Å²	158	126.2 Å²	126.2	83%	0.827	70%	0.701	S	S	*	*	H	α-helix	trans	-69.1	-31.7	175.4	-110.9	112	0	0	0	112.7
175	D	38.2	Very low	38.7	Very low	145 Å²	145	122.3 Å²	122.3	78%	0.775	70%	0.697	S	S	*	*	H	α-helix	trans	-84	-15.8	-178.5	-72.8	-25.8	0	0	0	114.7
176	A	42.8	Very low	39.1	Very low	59 Å²	59	125.9 Å²	125.9	49%	0.488	70%	0.7	S	S	.	*	H	α-helix	trans	-94	-19.5	-177.8	0	0	0	0	0	113.6
177	L	42	Very low	39.4	Very low	134 Å²	134	127 Å²	127	70%	0.702	71%	0.705	S	S	*	*	H	α-helix	trans	-84.8	-27.2	-176.9	-143.1	82.1	0	0	0	112.8
178	E	37.5	Very low	39.4	Very low	151 Å²	151	125.7 Å²	125.7	71%	0.706	70%	0.701	S	S	*	*	H	α-helix	trans	-78.9	-26.2	172.5	-74.9	-167.7	151.8	0	0	112.8	N180 V182	E178-N180 PolarHBondContact O-N 2.65Å; E178-V182 WeakPolarHBondContact O-CG2 3.4Å; E178-V182 PolarHBondContact O-N 3.08Å
179	L	37.8	Very low	39.3	Very low	103 Å²	103	129.6 Å²	129.6	54%	0.539	71%	0.712	S	S	.	*	H	α-helix	trans	-74.8	-23.1	-175.1	-131.8	84.7	0	0	0	114.6
180	N	40.1	Very low	39	Very low	130 Å²	130	135.4 Å²	135.4	70%	0.695	75%	0.745	S	S	*	*	H	α-helix	trans	-92.8	-18.5	-179.8	-76.3	-34.6	0	0	0	114	E178	E178-N180 PolarHBondContact O-N 2.65Å
181	L	38.9	Very low	39.2	Very low	134 Å²	134	136.6 Å²	136.6	70%	0.702	74%	0.742	S	S	*	*	H	α-helix	trans	-85.2	-26.8	173.9	-81.5	156.4	0	0	0	112.2
182	V	41.4	Very low	39.2	Very low	108 Å²	108	135.9 Å²	135.9	66%	0.655	74%	0.74	S	S	*	*	H	α-helix	trans	-83.7	-25.5	178.7	179	0	0	0	0	112.8	E178	E178-V182 WeakPolarHBondContact O-CG2 3.4Å; E178-V182 PolarHBondContact O-N 3.08Å
183	K	42.2	Very low	39.1	Very low	161 Å²	161	133.2 Å²	133.2	70%	0.7	74%	0.736	S	S	*	*	H	α-helix	trans	-87.7	-18.8	177.5	-74.3	-176.9	177.1	179.2	0	114.5
184	G	38.5	Very low	38.8	Very low	67 Å²	67	137.8 Å²	137.8	69%	0.691	76%	0.757	S	S	*	*	H	α-helix	trans	-89.6	-15.5	178.1	0	0	0	0	0	115.4
185	A	42.4	Very low	38.5	Very low	85 Å²	85	136.5 Å²	136.5	70%	0.702	75%	0.752	S	S	*	*	S	Bend	trans	-95	10.6	-173.7	0	0	0	0	0	114.7
186	K	38.5	Very low	38.5	Very low	191 Å²	191	135.9 Å²	135.9	83%	0.83	75%	0.751	S	S	*	*	S	Bend	trans	-107.5	23	-171.1	-126.6	-177.2	-174.7	-175.6	0	116.3
187	K	36.1	Very low	38.2	Very low	205 Å²	205	141.4 Å²	141.4	89%	0.891	77%	0.769	S	S	*	*	S	Bend	trans	-147.4	88.2	171.1	-88.2	-173.7	174.4	179.7	0	111
188	S	35.6	Very low	37.9	Very low	114 Å²	114	142 Å²	142	80%	0.797	78%	0.775	S	S	*	*			trans	172.4	75.7	153.2	173.2	0	0	0	0	108.8
189	Q	33.2	Very low	38	Very low	187 Å²	187	141.3 Å²	141.3	87%	0.874	78%	0.78	S	S	*	*			trans	-167.1	110.5	148.6	-107.9	165.3	8.4	0	0	107.2
190	T	31	Very low	38	Very low	210 Å²	210	144.7 Å²	144.7	100%	1.288	80%	0.802	S	S	*	*			trans	-35.9	0	141	40.2	0	0	0	0	112.4

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