A0A077ZM32_TRITR Loading...

Cell wall-associated hydrolase

AlphaFold DB , UniProt , Accession A0A077ZM32, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 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	46.9	Very low	60.2	Low	256 Å²	256	154.5 Å²	154.5	100%	1.261	79%	0.789	S	S	*	*				0	115.1	0	-77.2	169.1	-174.9	0	0	107.5
2	G	63.5	Low	59.7	Low	74 Å²	74	153 Å²	153	76%	0.763	78%	0.777	S	S	*	*			trans	-168.2	78.8	178.9	0	0	0	0	0	106.6	Q4	G2-Q4 PolarHBondContact O-N 2.87Å
3	E	64.9	Low	59.3	Low	193 Å²	193	150.4 Å²	150.4	90%	0.902	78%	0.777	S	S	*	*			trans	-65.8	117.3	176.3	-67.3	-173.6	155.6	0	0	107.9	P5	E3-P5 WeakPolarHBondContact O-CD 3.38Å
4	Q	68.3	Low	58.9	Low	192 Å²	192	150.4 Å²	150.4	90%	0.897	77%	0.771	S	S	*	*			trans	-69.8	112.1	178.8	-134.7	175.4	-58.6	0	0	107.7	G2 N6	G2-Q4 PolarHBondContact O-N 2.87Å; Q4-N6 PolarHBondContact O-N 2.8Å
5	P	68.8	Low	58.4	Low	112 Å²	112	149.7 Å²	149.7	73%	0.727	77%	0.77	S	S	*	*			trans	-65.6	138.2	-177.1	25.2	-32	0	0	0	110.2	E3	E3-P5 WeakPolarHBondContact O-CD 3.38Å
6	N	67.2	Low	57.9	Low	93 Å²	93	145.9 Å²	145.9	50%	0.497	77%	0.767	S	S	.	*			trans	-58.5	122.9	178.8	-175.7	8	0	0	0	110.2	Q4 W8	Q4-N6 PolarHBondContact O-N 2.8Å; N6-W8 PolarHBondContact O-N 2.75Å; N6-W8 VanDerWaalsContact O-N 3.11Å
7	P	58.4	Low	57.1	Low	106 Å²	106	143.6 Å²	143.6	69%	0.688	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-67	-12.3	-174.2	23.9	-34.6	0	0	0	114.7
8	W	58.9	Low	56.7	Low	184 Å²	184	140.7 Å²	140.7	70%	0.697	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-78.1	-16.8	-175.8	-62.5	110.2	0	0	0	114.5	N6 R10 L11	N6-W8 PolarHBondContact O-N 2.75Å; N6-W8 VanDerWaalsContact O-N 3.11Å; W8-R10 PolarHBondContact O-N 2.84Å; W8-R10 VanDerWaalsContact O-N 3.16Å; W8-L11 HydrophobicContact CE3-CD1 4.06Å; W8-L11 HydrophobicContact CZ3-CD1 4.49Å
9	D	59.4	Low	56.5	Low	145 Å²	145	145.2 Å²	145.2	78%	0.775	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-78	3.6	-177.4	-70.4	-30.6	0	0	0	114.3
10	R	58.4	Low	56.2	Low	223 Å²	223	146.5 Å²	146.5	84%	0.842	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-108.6	13.3	179.9	-90.7	-172.1	162.6	168.5	-2.5	115.3	W8 Q12	W8-R10 PolarHBondContact O-N 2.84Å; W8-R10 VanDerWaalsContact O-N 3.16Å; R10-Q12 VanDerWaalsContact C-N 3.34Å; R10-Q12 PolarHBondContact O-N 2.77Å
11	L	47.9	Very low	56	Low	121 Å²	121	150.6 Å²	150.6	63%	0.634	77%	0.767	S	S	*	*			trans	-65.2	98.1	169.8	-100	136.2	0	0	0	109.5	W8	W8-L11 HydrophobicContact CE3-CD1 4.06Å; W8-L11 HydrophobicContact CZ3-CD1 4.49Å
12	Q	53.9	Low	56.1	Low	137 Å²	137	141.8 Å²	141.8	64%	0.64	74%	0.741	S	S	*	*			trans	-59.1	138.6	-178.8	-63.9	-169.5	31.6	0	0	110	R10 Q14 D15	R10-Q12 VanDerWaalsContact C-N 3.34Å; R10-Q12 PolarHBondContact O-N 2.77Å; Q12-Q14 PolarHBondContact O-N 2.99Å; Q12-D15 PolarHBondContact O-N 2.75Å
13	P	54.6	Low	55.8	Low	119 Å²	119	142.9 Å²	142.9	77%	0.773	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-57.4	-9.2	179.9	-25.2	33.1	0	0	0	115.6	D15 A16	P13-D15 PolarHBondContact O-N 3.39Å; P13-A16 WeakPolarHBondContact O-CB 3.46Å; P13-A16 PolarHBondContact O-N 2.97Å
14	Q	53.5	Low	55.3	Low	150 Å²	150	141.7 Å²	141.7	70%	0.701	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-67.2	-21.7	-175.9	-66.2	-166.8	10.2	0	0	113.7	Q12 A16 T17	Q12-Q14 PolarHBondContact O-N 2.99Å; Q14-A16 PolarHBondContact O-N 2.99Å; Q14-T17 PolarHBondContact O-N 3.07Å; Q14-T17 PolarHBondContact O-OG1 2.97Å
15	D	51	Low	54.7	Low	141 Å²	141	137.3 Å²	137.3	75%	0.754	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-76.7	-1.7	176.4	-100.9	-4	0	0	0	113.9	Q12 P13 T17	Q12-D15 PolarHBondContact O-N 2.75Å; P13-D15 PolarHBondContact O-N 3.39Å; D15-T17 PolarHBondContact O-N 3.04Å
16	A	51.3	Low	53.8	Low	88 Å²	88	138 Å²	138	73%	0.727	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-75.5	-2.2	171.1	0	0	0	0	0	113.7	P13 Q14 S18	P13-A16 WeakPolarHBondContact O-CB 3.46Å; P13-A16 PolarHBondContact O-N 2.97Å; Q14-A16 PolarHBondContact O-N 2.99Å; A16-S18 VanDerWaalsContact C-N 3.25Å; A16-S18 PolarHBondContact O-N 3.26Å
17	T	44.1	Very low	53.2	Low	108 Å²	108	143.3 Å²	143.3	66%	0.663	74%	0.741	S	S	*	*			trans	-79	84.1	174.3	-48	0	0	0	0	109.1	Q14 D15 R19	Q14-T17 PolarHBondContact O-N 3.07Å; Q14-T17 PolarHBondContact O-OG1 2.97Å; D15-T17 PolarHBondContact O-N 3.04Å; T17-R19 PolarHBondContact O-N 2.99Å
18	S	50.6	Low	52.5	Low	91 Å²	91	149 Å²	149	64%	0.636	75%	0.749	S	S	*	*			trans	-41.4	103.9	159.8	175.8	0	0	0	0	108	A16 H20	A16-S18 VanDerWaalsContact C-N 3.25Å; A16-S18 PolarHBondContact O-N 3.26Å; S18-H20 PolarHBondContact O-N 3.03Å
19	R	51.9	Low	52.2	Low	226 Å²	226	146 Å²	146	85%	0.853	76%	0.755	S	S	*	*			trans	-71.8	72.5	170.5	-64.6	-178.2	-176.1	172.6	1.7	106	T17 R21	T17-R19 PolarHBondContact O-N 2.99Å; R19-R21 PolarHBondContact O-N 2.95Å
20	H	49.9	Very low	51.5	Low	170 Å²	170	146.7 Å²	146.7	79%	0.787	75%	0.753	S	S	*	*			trans	-53.3	93.4	157.2	-118.6	-68.5	0	0	0	104.6	S18 G22	S18-H20 PolarHBondContact O-N 3.03Å; H20-G22 VanDerWaalsContact C-N 3.32Å; H20-G22 PolarHBondContact O-N 3.11Å
21	R	52.1	Low	50.8	Low	234 Å²	234	143.9 Å²	143.9	88%	0.883	75%	0.754	S	S	*	*			trans	-54.7	106.9	170.7	-93	-177.2	172.3	169.4	-0.7	104.5	R19 A23	R19-R21 PolarHBondContact O-N 2.95Å; R21-A23 PolarHBondContact O-N 3.24Å
22	G	50.1	Low	50.4	Low	71 Å²	71	146 Å²	146	73%	0.732	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-47.2	128.7	-178.8	0	0	0	0	0	109.2	H20 K24	H20-G22 VanDerWaalsContact C-N 3.32Å; H20-G22 PolarHBondContact O-N 3.11Å; G22-K24 PolarHBondContact O-N 2.84Å; G22-K24 VanDerWaalsContact O-N 3.11Å
23	A	56.6	Low	49.7	Very low	97 Å²	97	142 Å²	142	80%	0.802	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-54.5	120.5	172.7	0	0	0	0	0	107.4	R21 P25	R21-A23 PolarHBondContact O-N 3.24Å; A23-P25 WeakPolarHBondContact O-CD 3Å
24	K	55.3	Low	49	Very low	168 Å²	168	145.1 Å²	145.1	73%	0.73	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-61.5	121.1	178.9	-154.9	174.6	-168.9	176.3	0	106.9	G22	G22-K24 PolarHBondContact O-N 2.84Å; G22-K24 VanDerWaalsContact O-N 3.11Å
25	P	54.8	Low	48.6	Very low	100 Å²	100	144.8 Å²	144.8	65%	0.649	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-57.7	137.6	-179.1	18.9	-29.2	0	0	0	109.4	A23 R27	A23-P25 WeakPolarHBondContact O-CD 3Å; P25-R27 PolarHBondContact O-N 3.07Å
26	P	50.5	Low	48.1	Very low	126 Å²	126	142.3 Å²	142.3	82%	0.818	76%	0.76	S	S	*	*			trans	-61.6	111.8	178.9	24.2	-30.9	0	0	0	107.8	R28	P26-R28 PolarHBondContact O-N 2.77Å
27	R	54.6	Low	47.9	Very low	204 Å²	204	144.9 Å²	144.9	77%	0.77	76%	0.761	S	S	*	*			trans	-64.3	112.9	169.2	-71.9	-173.2	178.5	145.3	-4.8	106.3	P25 C29	P25-R27 PolarHBondContact O-N 3.07Å; R27-C29 PolarHBondContact O-N 2.83Å
28	R	43.9	Very low	47.3	Very low	226 Å²	226	146.8 Å²	146.8	85%	0.853	77%	0.766	S	S	*	*			trans	-57.9	104.4	161.5	-80.7	179.3	158.2	171.2	-6	106.2	P26 E30	P26-R28 PolarHBondContact O-N 2.77Å; R28-E30 PolarHBondContact O-N 2.73Å
29	C	51.8	Low	46.7	Very low	122 Å²	122	147.4 Å²	147.4	82%	0.824	77%	0.77	S	S	*	*			trans	-73.5	86.5	165.7	-63.8	0	0	0	0	105.7	R27 L31	R27-C29 PolarHBondContact O-N 2.83Å; C29-L31 PolarHBondContact O-N 2.74Å
30	E	44.5	Very low	45.9	Very low	158 Å²	158	142.5 Å²	142.5	74%	0.738	77%	0.768	S	S	*	*			trans	-57	132.3	163.2	-67.9	-175.2	174.6	0	0	107.3	R28 L32	R28-E30 PolarHBondContact O-N 2.73Å; E30-L32 PolarHBondContact O-N 3.45Å
31	L	44	Very low	45.1	Very low	165 Å²	165	136.8 Å²	136.8	86%	0.864	76%	0.755	S	S	*	*			trans	-65.5	81.7	-174.9	-148.8	170	0	0	0	107	C29 G33	C29-L31 PolarHBondContact O-N 2.74Å; L31-G33 PolarHBondContact O-N 2.75Å
32	L	39.2	Very low	44.6	Very low	165 Å²	165	135.9 Å²	135.9	86%	0.864	76%	0.758	S	S	*	*			trans	-58	112.8	176.4	-95.5	164.7	0	0	0	106.5	E30	E30-L32 PolarHBondContact O-N 3.45Å
33	G	40.5	Very low	43.8	Very low	54 Å²	54	142 Å²	142	56%	0.557	76%	0.76	S	S	*	*			trans	-48.2	142.2	-171.3	0	0	0	0	0	112.1	L31 I35	L31-G33 PolarHBondContact O-N 2.75Å; G33-I35 VanDerWaalsContact C-N 3.3Å; G33-I35 PolarHBondContact O-N 2.75Å
34	E	39.8	Very low	43.3	Very low	184 Å²	184	143 Å²	143	86%	0.86	76%	0.759	S	S	*	*			trans	0.6	77.8	152.5	-115.8	-178.3	154.9	0	0	114	S36	E34-S36 PolarHBondContact O-N 2.76Å
35	I	43.6	Very low	42.5	Very low	142 Å²	142	140.1 Å²	140.1	73%	0.728	75%	0.751	S	S	*	*			trans	-68.9	94.5	160.2	26.9	170.5	0	0	0	104.7	G33 L37	G33-I35 VanDerWaalsContact C-N 3.3Å; G33-I35 PolarHBondContact O-N 2.75Å; I35-L37 PolarHBondContact O-N 3.29Å
36	S	40.5	Very low	41.7	Very low	90 Å²	90	141 Å²	141	63%	0.629	76%	0.759	S	S	*	*			trans	-53.7	86.4	166.4	-78.6	0	0	0	0	107.8	E34 L38	E34-S36 PolarHBondContact O-N 2.76Å; S36-L38 PolarHBondContact O-N 3.4Å
37	L	46.6	Very low	41.3	Very low	142 Å²	142	141.1 Å²	141.1	74%	0.743	75%	0.753	S	S	*	*			trans	-73.5	59	167.3	-64.2	-178.8	0	0	0	108.3	I35 S39	I35-L37 PolarHBondContact O-N 3.29Å; L37-S39 PolarHBondContact O-N 2.84Å
38	L	33	Very low	41	Very low	148 Å²	148	134.1 Å²	134.1	78%	0.775	75%	0.745	S	S	*	*			trans	-66.7	70.6	152.2	-92.6	137.4	0	0	0	106.5	S36 P40	S36-L38 PolarHBondContact O-N 3.4Å; L38-P40 WeakPolarHBondContact O-CD 3.24Å
39	S	37.6	Very low	41	Very low	103 Å²	103	129 Å²	129	72%	0.72	74%	0.74	S	S	*	*			trans	-90	104.1	154.3	-74.7	0	0	0	0	106	L37	L37-S39 PolarHBondContact O-N 2.84Å
40	P	35	Very low	40.8	Very low	123 Å²	123	129.2 Å²	129.2	80%	0.799	74%	0.744	S	S	*	*			trans	-75.3	133.1	179.4	-4.6	23	0	0	0	108.9	L38	L38-P40 WeakPolarHBondContact O-CD 3.24Å
41	G	33.6	Very low	40.7	Very low	50 Å²	50	129.5 Å²	129.5	52%	0.515	75%	0.747	S	S	.	*			trans	98.9	82.6	151.2	0	0	0	0	0	115.2
42	F	41.4	Very low	40.8	Very low	215 Å²	215	132.9 Å²	132.9	94%	0.943	75%	0.748	S	S	*	*				-149.4	82	125.7	-77.2	-70.8	0	0	0	106.3	P44	F42-P44 VanDerWaalsContact O-CD 3.24Å; F42-P44 WeakPolarHBondContact O-CD 3.4Å
43	Y	32.9	Very low	41.2	Very low	199 Å²	199	132 Å²	132	78%	0.78	75%	0.745	S	S	*	*			trans	-75.7	116.2	164.8	-100.3	-85.2	0	0	0	107.6	L45	Y43-L45 HydrophobicContact CD1-CB 4.11Å; Y43-L45 HydrophobicContact CD1-CD1 3.36Å; Y43-L45 HydrophobicContact CD1-CG 4.33Å; Y43-L45 HydrophobicContact CE1-CD1 3.54Å; Y43-L45 PolarHBondContact O-N 3.41Å
44	P	46.3	Very low	41.4	Very low	120 Å²	120	137 Å²	137	78%	0.779	75%	0.753	S	S	*	*			trans	-87.9	68.2	157.5	31	-15.7	0	0	0	106.4	F42 S46	F42-P44 VanDerWaalsContact O-CD 3.24Å; F42-P44 WeakPolarHBondContact O-CD 3.4Å; P44-S46 PolarHBondContact O-N 3.31Å
45	L	38.8	Very low	41.7	Very low	107 Å²	107	138.8 Å²	138.8	56%	0.56	75%	0.752	S	S	*	*			trans	-81	73.1	175.6	-147.3	93.3	0	0	0	107.9	Y43 D47	Y43-L45 HydrophobicContact CD1-CB 4.11Å; Y43-L45 HydrophobicContact CD1-CD1 3.36Å; Y43-L45 HydrophobicContact CD1-CG 4.33Å; Y43-L45 HydrophobicContact CE1-CD1 3.54Å; Y43-L45 PolarHBondContact O-N 3.41Å; L45-D47 WeakPolarHBondContact CD2-OD2 3.36Å; L45-D47 WeakPolarHBondContact CG-OD2 3.12Å; L45-D47 PolarHBondContact O-N 3.28Å
46	S	38.4	Very low	41.8	Very low	117 Å²	117	138.8 Å²	138.8	82%	0.818	75%	0.752	S	S	*	*			trans	-79	71.8	166.2	-77.2	0	0	0	0	108.6	P44 G48	P44-S46 PolarHBondContact O-N 3.31Å; S46-G48 PolarHBondContact O-N 3.41Å
47	D	42	Very low	42.1	Very low	129 Å²	129	139.9 Å²	139.9	69%	0.69	76%	0.755	S	S	*	*			trans	-77.6	68.4	170.9	-75	-12.1	0	0	0	109.5	L45	L45-D47 WeakPolarHBondContact CD2-OD2 3.36Å; L45-D47 WeakPolarHBondContact CG-OD2 3.12Å; L45-D47 PolarHBondContact O-N 3.28Å
48	G	47.7	Very low	42.1	Very low	58 Å²	58	141.2 Å²	141.2	60%	0.598	76%	0.755	S	S	*	*			trans	-101.6	111.6	171.9	0	0	0	0	0	109.9	S46 S50	S46-G48 PolarHBondContact O-N 3.41Å; G48-S50 PolarHBondContact O-N 2.86Å
49	P	44.8	Very low	42.7	Very low	117 Å²	117	137.9 Å²	137.9	76%	0.76	74%	0.742	S	S	*	*			trans	-61.1	113	-178.4	21.5	-30.7	0	0	0	111.3	M51	P49-M51 PolarHBondContact O-N 2.9Å
50	S	46.7	Very low	43.5	Very low	128 Å²	128	139.5 Å²	139.5	90%	0.895	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	32.7	177.2	-165.7	0	0	0	0	113.6	G48	G48-S50 PolarHBondContact O-N 2.86Å
51	M	43.2	Very low	43.9	Very low	164 Å²	164	142.1 Å²	142.1	81%	0.808	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	-8.1	-170.1	-75.6	-106.2	-67.2	0	0	113.9	P49 N53	P49-M51 PolarHBondContact O-N 2.9Å; M51-N53 VanDerWaalsContact C-N 3.34Å; M51-N53 PolarHBondContact O-N 3.4Å; M51-N53 VanDerWaalsContact O-N 3.07Å
52	R	44.3	Very low	45	Very low	235 Å²	235	150.5 Å²	150.5	89%	0.887	76%	0.758	S	S	*	*	S	Bend	trans	-85.9	90.2	170.7	-141.1	174.7	-172.7	-172.5	1.3	107.8	H54	R52-H54 VanDerWaalsContact C-N 3.32Å; R52-H54 PolarHBondContact O-N 3.45Å
53	N	47.6	Very low	45.3	Very low	148 Å²	148	145.9 Å²	145.9	79%	0.791	75%	0.749	S	S	*	*			trans	-29	98.9	160.3	-70.6	-50.2	0	0	0	109.1	M51 R55	M51-N53 VanDerWaalsContact C-N 3.34Å; M51-N53 PolarHBondContact O-N 3.4Å; M51-N53 VanDerWaalsContact O-N 3.07Å; N53-R55 PolarHBondContact O-N 3.36Å
54	H	45	Very low	45.8	Very low	157 Å²	157	141.7 Å²	141.7	73%	0.727	75%	0.748	S	S	*	*			trans	-72	77.5	164	53.5	-77.9	0	0	0	103.8	R52 I56	R52-H54 VanDerWaalsContact C-N 3.32Å; R52-H54 PolarHBondContact O-N 3.45Å; H54-I56 PolarHBondContact O-N 3.48Å
55	R	45.7	Very low	45.7	Very low	223 Å²	223	141.7 Å²	141.7	84%	0.842	75%	0.751	S	S	*	*			trans	-60.1	91.8	164.4	-167.6	177.9	-163.2	-126.6	5.2	102.9	N53 T57	N53-R55 PolarHBondContact O-N 3.36Å; R55-T57 PolarHBondContact O-N 2.89Å
56	I	46.5	Very low	46.1	Very low	141 Å²	141	140.5 Å²	140.5	72%	0.723	75%	0.751	S	S	*	*			trans	-55.1	101.3	170.1	-67.5	166.6	0	0	0	103	H54 K58	H54-I56 PolarHBondContact O-N 3.48Å; I56-K58 VanDerWaalsContact C-N 3.26Å; I56-K58 PolarHBondContact O-N 3.44Å
57	T	46.3	Very low	46.5	Very low	114 Å²	114	141.2 Å²	141.2	70%	0.699	76%	0.755	S	S	*	*			trans	-57.4	100.2	174.7	-61.3	0	0	0	0	104.4	R55 P59	R55-T57 PolarHBondContact O-N 2.89Å; T57-P59 WeakPolarHBondContact O-CD 3.45Å; T57-P59 VanDerWaalsContact O-N 3.15Å
58	K	48.2	Very low	46.8	Very low	169 Å²	169	140.5 Å²	140.5	74%	0.735	76%	0.76	S	S	*	*			trans	-57.2	122.4	173	-168.4	176.3	-176.9	-178.7	0	104.6	I56 D60	I56-K58 VanDerWaalsContact C-N 3.26Å; I56-K58 PolarHBondContact O-N 3.44Å; K58-D60 PolarHBondContact O-N 3Å
59	P	45	Very low	46.4	Very low	78 Å²	78	142.7 Å²	142.7	51%	0.506	77%	0.766	S	S	.	*			trans	-61.5	115.2	-179.8	21.2	-30.2	0	0	0	108	T57 F61	T57-P59 WeakPolarHBondContact O-CD 3.45Å; T57-P59 VanDerWaalsContact O-N 3.15Å; P59-F61 HydrophobicContact CB-CD2 4.34Å; P59-F61 HydrophobicContact CB-CE2 3.95Å; P59-F61 HydrophobicContact CB-CZ 4.06Å; P59-F61 HydrophobicContact CG-CD2 4.27Å; P59-F61 HydrophobicContact CG-CE2 3.56Å; P59-F61 HydrophobicContact CG-CZ 3.89Å; P59-F61 WeakPolarHBondContact O-CD2 3.19Å; P59-F61 PolarHBondContact O-N 3.28Å
60	D	53.3	Low	46.4	Very low	138 Å²	138	148.8 Å²	148.8	74%	0.738	77%	0.774	S	S	*	*			trans	-69.6	83.4	171.5	-42.5	-29.1	0	0	0	106.3	K58 R62	K58-D60 PolarHBondContact O-N 3Å; D60-R62 PolarHBondContact O-N 2.81Å
61	F	45.1	Very low	46.2	Very low	178 Å²	178	147.6 Å²	147.6	78%	0.781	77%	0.766	S	S	*	*			trans	-64.4	92.7	168.5	-66.3	-73.6	0	0	0	106.7	P59 P63	P59-F61 HydrophobicContact CB-CD2 4.34Å; P59-F61 HydrophobicContact CB-CE2 3.95Å; P59-F61 HydrophobicContact CB-CZ 4.06Å; P59-F61 HydrophobicContact CG-CD2 4.27Å; P59-F61 HydrophobicContact CG-CE2 3.56Å; P59-F61 HydrophobicContact CG-CZ 3.89Å; P59-F61 WeakPolarHBondContact O-CD2 3.19Å; P59-F61 PolarHBondContact O-N 3.28Å; F61-P63 WeakPolarHBondContact O-CD 3.24Å
62	R	55.5	Low	46.3	Very low	226 Å²	226	149.1 Å²	149.1	85%	0.853	77%	0.771	S	S	*	*			trans	-45.8	113.6	162.2	-77.3	-75.4	-175.3	-142.2	-1.1	106	D60 C64	D60-R62 PolarHBondContact O-N 2.81Å; R62-C64 PolarHBondContact O-N 3.31Å
63	P	47.2	Very low	45.9	Very low	117 Å²	117	142.4 Å²	142.4	76%	0.76	77%	0.766	S	S	*	*			trans	-60.7	116.1	174.4	-18.4	31	0	0	0	106.3	F61 S65	F61-P63 WeakPolarHBondContact O-CD 3.24Å; P63-S65 PolarHBondContact O-N 3.44Å
64	C	44.8	Very low	46	Very low	111 Å²	111	141 Å²	141	75%	0.75	76%	0.764	S	S	*	*			trans	-49.6	119.4	171.9	-97.8	0	0	0	0	108.2	R62 S66	R62-C64 PolarHBondContact O-N 3.31Å; C64-S66 PolarHBondContact O-N 3.13Å
65	S	43.5	Very low	46	Very low	121 Å²	121	142 Å²	142	85%	0.846	77%	0.774	S	S	*	*	S	Bend	trans	-72.3	10.9	177.3	60.3	0	0	0	0	113.1	P63 C67	P63-S65 PolarHBondContact O-N 3.44Å; S65-C67 VanDerWaalsContact C-N 3.34Å; S65-C67 PolarHBondContact O-N 3.4Å; S65-C67 VanDerWaalsContact O-N 3.14Å
66	S	46.9	Very low	45.7	Very low	82 Å²	82	140.8 Å²	140.8	57%	0.573	77%	0.771	S	S	*	*			trans	-84.4	81.8	170	55.5	0	0	0	0	109.1	C64 S68	C64-S66 PolarHBondContact O-N 3.13Å; S66-S68 PolarHBondContact O-N 3.11Å
67	C	47	Very low	45.3	Very low	131 Å²	131	141.8 Å²	141.8	89%	0.885	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.9	105.5	164.2	-66.9	0	0	0	0	109.8	S65	S65-C67 VanDerWaalsContact C-N 3.34Å; S65-C67 PolarHBondContact O-N 3.4Å; S65-C67 VanDerWaalsContact O-N 3.14Å
68	S	49.2	Very low	45	Very low	114 Å²	114	145 Å²	145	80%	0.797	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	163.5	21.1	144.7	-165.6	0	0	0	0	114	S66 R70	S66-S68 PolarHBondContact O-N 3.11Å; S68-R70 PolarHBondContact O-N 3.33Å
69	S	38.9	Very low	44.4	Very low	105 Å²	105	143 Å²	143	73%	0.734	78%	0.779	S	S	*	*			trans	-96.2	83.6	165.5	71.9	0	0	0	0	110.7	S71	S69-S71 PolarHBondContact O-N 2.84Å
70	R	44.5	Very low	44.6	Very low	245 Å²	245	147.5 Å²	147.5	93%	0.925	80%	0.799	S	S	*	*			trans	-71	72.2	165.5	-72.4	-168.5	175.4	-152.7	0.8	109.2	S68	S68-R70 PolarHBondContact O-N 3.33Å
71	S	43.1	Very low	43.9	Very low	103 Å²	103	151.8 Å²	151.8	72%	0.72	81%	0.805	S	S	*	*			trans	-152.8	65.4	179.2	-64.6	0	0	0	0	111.2	S69	S69-S71 PolarHBondContact O-N 2.84Å
72	Q	44.3	Very low	43.7	Very low	196 Å²	196	151.4 Å²	151.4	92%	0.916	81%	0.807	S	S	*	*			trans	-144.8	86.5	151.3	-105.4	167.3	3.5	0	0	106.8
73	A	36	Very low	43.5	Very low	94 Å²	94	146.9 Å²	146.9	78%	0.777	80%	0.799	S	S	*	*			trans	-61.9	129.7	172.7	0	0	0	0	0	108.5	L75	A73-L75 PolarHBondContact O-N 2.88Å
74	P	49.8	Very low	43.3	Very low	117 Å²	117	144.4 Å²	144.4	76%	0.76	78%	0.784	S	S	*	*			trans	-55.8	138.3	172.4	-21.9	31.9	0	0	0	110.2	Y76	P74-Y76 VanDerWaalsContact C-N 3.26Å; P74-Y76 PolarHBondContact O-N 3.31Å
75	L	44.7	Very low	43.4	Very low	180 Å²	180	146.3 Å²	146.3	94%	0.942	79%	0.787	S	S	*	*			trans	-57.3	85.5	170.4	-63.5	168.2	0	0	0	109.7	A73	A73-L75 PolarHBondContact O-N 2.88Å
76	Y	41.2	Very low	43.7	Very low	197 Å²	197	148.4 Å²	148.4	77%	0.773	78%	0.783	S	S	*	*			trans	-107.7	96.3	171.1	-161.1	-102.2	0	0	0	109.7	P74 Y78	P74-Y76 VanDerWaalsContact C-N 3.26Å; P74-Y76 PolarHBondContact O-N 3.31Å; Y76-Y78 PolarHBondContact O-N 3.44Å; Y76-Y78 VanDerWaalsContact O-N 3.15Å
77	L	36.3	Very low	43.8	Very low	162 Å²	162	150.2 Å²	150.2	85%	0.848	80%	0.796	S	S	*	*			trans	-67.6	93.2	166.6	-68.3	167.4	0	0	0	109
78	Y	41.1	Very low	44	Very low	180 Å²	180	152.6 Å²	152.6	71%	0.706	79%	0.794	S	S	*	*			trans	-159.3	105.4	152.6	-122.8	-89	0	0	0	110.3	Y76 L80	Y76-Y78 PolarHBondContact O-N 3.44Å; Y76-Y78 VanDerWaalsContact O-N 3.15Å; Y78-L80 PolarHBondContact O-N 3.28Å; Y78-L80 VanDerWaalsContact O-N 3.14Å
79	T	34.7	Very low	44.1	Very low	127 Å²	127	150 Å²	150	78%	0.779	79%	0.785	S	S	*	*			trans	-7.1	94.4	159.2	56.1	0	0	0	0	117
80	L	48.8	Very low	44.4	Very low	174 Å²	174	151.8 Å²	151.8	91%	0.911	79%	0.791	S	S	*	*			trans	-109.6	98	154.4	-78.5	177.6	0	0	0	109.4	Y78 M82	Y78-L80 PolarHBondContact O-N 3.28Å; Y78-L80 VanDerWaalsContact O-N 3.14Å; L80-M82 PolarHBondContact O-N 3.2Å
81	R	39.5	Very low	44.5	Very low	228 Å²	228	149.4 Å²	149.4	86%	0.86	79%	0.788	S	S	*	*			trans	-43.9	110.4	165	-178.3	-179.1	-172.8	-133.1	3.6	111.5
82	M	41.5	Very low	44.6	Very low	169 Å²	169	147.9 Å²	147.9	83%	0.833	79%	0.789	S	S	*	*			trans	-132.4	87.8	156.4	-163.6	177.6	-73.6	0	0	108.6	L80 S84	L80-M82 PolarHBondContact O-N 3.2Å; M82-S84 VanDerWaalsContact C-N 3.27Å; M82-S84 PolarHBondContact O-N 3.28Å
83	I	51.6	Low	44.9	Very low	132 Å²	132	148.8 Å²	148.8	68%	0.677	78%	0.784	S	S	*	*			trans	-82.4	84.5	165.2	-58.3	168.7	0	0	0	104	N85	I83-N85 PolarHBondContact O-N 3.49Å; I83-N85 VanDerWaalsContact O-N 3.12Å; I83-N85 PolarHBondContact O-OD1 2.85Å
84	S	41.1	Very low	45.5	Very low	64 Å²	64	151.2 Å²	151.2	45%	0.448	78%	0.783	S	S	.	*			trans	-70.3	106.5	174.2	53.3	0	0	0	0	107.9	M82 H86	M82-S84 VanDerWaalsContact C-N 3.27Å; M82-S84 PolarHBondContact O-N 3.28Å; S84-H86 VanDerWaalsContact C-N 3.35Å; S84-H86 PolarHBondContact O-CD2 3.12Å; S84-H86 PolarHBondContact O-N 2.81Å
85	N	48	Very low	45.9	Very low	152 Å²	152	155.9 Å²	155.9	81%	0.813	79%	0.786	S	S	*	*			trans	-54.2	100.3	166	0.3	-55.9	0	0	0	107.4	I83 S87	I83-N85 PolarHBondContact O-N 3.49Å; I83-N85 VanDerWaalsContact O-N 3.12Å; I83-N85 PolarHBondContact O-OD1 2.85Å; N85-S87 PolarHBondContact O-N 2.97Å
86	H	49.8	Very low	46.3	Very low	165 Å²	165	157 Å²	157	76%	0.764	78%	0.779	S	S	*	*			trans	-65.4	128.4	177.1	-71	-83.2	0	0	0	108.5	S84 E88	S84-H86 VanDerWaalsContact C-N 3.35Å; S84-H86 PolarHBondContact O-CD2 3.12Å; S84-H86 PolarHBondContact O-N 2.81Å; H86-E88 PolarHBondContact O-N 3.27Å
87	S	49.3	Very low	47.1	Very low	120 Å²	120	156 Å²	156	84%	0.839	79%	0.786	S	S	*	*			trans	-59.8	101.3	172.2	51.7	0	0	0	0	109.3	N85 G89	N85-S87 PolarHBondContact O-N 2.97Å; S87-G89 PolarHBondContact O-N 2.92Å
88	E	50.2	Low	47.7	Very low	181 Å²	181	156.3 Å²	156.3	85%	0.846	79%	0.787	S	S	*	*			trans	-72.7	113.4	173.5	-151	165.5	-158.8	0	0	107.8	H86 T90	H86-E88 PolarHBondContact O-N 3.27Å; E88-T90 PolarHBondContact O-N 3.35Å; E88-T90 VanDerWaalsContact O-N 3.15Å
89	G	52	Low	48.1	Very low	60 Å²	60	151.4 Å²	151.4	62%	0.619	79%	0.792	S	S	*	*			trans	-55.3	119.2	-177.7	0	0	0	0	0	110.2	S87 F91	S87-G89 PolarHBondContact O-N 2.92Å; G89-F91 PolarHBondContact O-N 2.89Å
90	T	44	Very low	48.7	Very low	141 Å²	141	148.3 Å²	148.3	87%	0.865	79%	0.785	S	S	*	*			trans	-63.6	104.4	176.1	-59.8	0	0	0	0	108.3	E88 G92	E88-T90 PolarHBondContact O-N 3.35Å; E88-T90 VanDerWaalsContact O-N 3.15Å; T90-G92 PolarHBondContact O-N 2.92Å; T90-G92 VanDerWaalsContact O-N 3.12Å
91	F	46.4	Very low	48.8	Very low	195 Å²	195	148.4 Å²	148.4	86%	0.855	79%	0.787	S	S	*	*			trans	-57.1	117.6	170	-76.3	-84	0	0	0	108.8	G89 R93	G89-F91 PolarHBondContact O-N 2.89Å; F91-R93 PolarHBondContact O-N 3.44Å
92	G	46.8	Very low	49.4	Very low	72 Å²	72	148.9 Å²	148.9	74%	0.742	79%	0.789	S	S	*	*			trans	-57.7	103.4	173.9	0	0	0	0	0	109.7	T90 L94	T90-G92 PolarHBondContact O-N 2.92Å; T90-G92 VanDerWaalsContact O-N 3.12Å; G92-L94 PolarHBondContact O-N 3.41Å
93	R	49.4	Very low	49.9	Very low	215 Å²	215	146.6 Å²	146.6	81%	0.811	79%	0.786	S	S	*	*			trans	-70.5	101.1	177.8	-161.1	161.5	86.5	134.4	0.7	108.4	F91 R95	F91-R93 PolarHBondContact O-N 3.44Å; R93-R95 WeakPolarHBondContact O-CG 3.4Å; R93-R95 PolarHBondContact O-N 2.93Å
94	L	49.9	Very low	49.8	Very low	145 Å²	145	146.1 Å²	146.1	76%	0.759	80%	0.795	S	S	*	*			trans	-44.2	101.7	167.8	-90.2	143.1	0	0	0	109.7	G92 Y96	G92-L94 PolarHBondContact O-N 3.41Å; L94-Y96 PolarHBondContact O-N 2.94Å
95	R	57.8	Low	50.2	Low	215 Å²	215	152 Å²	152	81%	0.811	82%	0.816	S	S	*	*			trans	-88.2	100.3	172.2	-62.5	-172.3	-170.8	-170	2.4	106.9	R93 L97	R93-R95 WeakPolarHBondContact O-CG 3.4Å; R93-R95 PolarHBondContact O-N 2.93Å; R95-L97 PolarHBondContact O-N 3.39Å
96	Y	52	Low	50	Low	202 Å²	202	151.4 Å²	151.4	79%	0.792	82%	0.817	S	S	*	*			trans	-58.9	124.7	161.4	-75.1	-89.3	0	0	0	107.9	L94 L98	L94-Y96 PolarHBondContact O-N 2.94Å; Y96-L98 PolarHBondContact O-N 2.68Å
97	L	57.9	Low	49.8	Very low	178 Å²	178	147.6 Å²	147.6	93%	0.932	82%	0.815	S	S	*	*			trans	-67	85.5	166.7	-68.7	160	0	0	0	106.4	R95 G99	R95-L97 PolarHBondContact O-N 3.39Å; L97-G99 PolarHBondContact O-N 3.23Å
98	L	50.4	Low	49.6	Very low	167 Å²	167	153.8 Å²	153.8	87%	0.874	82%	0.819	S	S	*	*			trans	-72.9	84.9	173.1	-170.5	63.3	0	0	0	107.3	Y96 G100	Y96-L98 PolarHBondContact O-N 2.68Å; L98-G100 PolarHBondContact O-N 2.86Å
99	G	48.1	Very low	49.7	Very low	77 Å²	77	154.2 Å²	154.2	79%	0.794	82%	0.821	S	S	*	*			trans	-63.7	98.9	171.7	0	0	0	0	0	109	L97	L97-G99 PolarHBondContact O-N 3.23Å
100	G	47.8	Very low	49	Very low	63 Å²	63	158 Å²	158	65%	0.649	83%	0.833	S	S	*	*			trans	-119.2	100.6	170.4	0	0	0	0	0	108.3	L98 R102	L98-G100 PolarHBondContact O-N 2.86Å; G100-R102 PolarHBondContact O-N 2.76Å; G100-R102 VanDerWaalsContact O-N 3.13Å
101	D	50.4	Low	48.9	Very low	176 Å²	176	159.1 Å²	159.1	94%	0.941	83%	0.833	S	S	*	*			trans	-54.6	112.5	168.2	-76.4	-43.8	0	0	0	109.1
102	R	53.2	Low	49	Very low	237 Å²	237	153.7 Å²	153.7	89%	0.894	82%	0.819	S	S	*	*			trans	-122.4	123.6	168.4	-153.7	165.4	-175.4	154	0.2	108.7	G100 S104	G100-R102 PolarHBondContact O-N 2.76Å; G100-R102 VanDerWaalsContact O-N 3.13Å; R102-S104 PolarHBondContact O-N 3Å
103	P	51	Low	49.3	Very low	121 Å²	121	156.3 Å²	156.3	79%	0.786	82%	0.823	S	S	*	*			trans	-67.7	131.6	-168.4	25.1	-33	0	0	0	111.7	Q105	P103-Q105 PolarHBondContact O-N 2.84Å
104	S	49.7	Very low	49.4	Very low	123 Å²	123	152.7 Å²	152.7	86%	0.86	82%	0.818	S	S	*	*			trans	-71.5	97.5	176.8	53	0	0	0	0	110.9	R102	R102-S104 PolarHBondContact O-N 3Å
105	Q	49.1	Very low	49.4	Very low	188 Å²	188	148.9 Å²	148.9	88%	0.879	81%	0.814	S	S	*	*			trans	-128.2	76.2	163.6	-163.6	172.9	13.8	0	0	108.8	P103	P103-Q105 PolarHBondContact O-N 2.84Å
106	T	45.8	Very low	49.4	Very low	138 Å²	138	145.5 Å²	145.5	85%	0.847	81%	0.81	S	S	*	*			trans	-129.2	119.1	166.1	-51.1	0	0	0	0	108
107	A	44	Very low	49.6	Very low	86 Å²	86	140.8 Å²	140.8	71%	0.711	81%	0.805	S	S	*	*			trans	-53.7	135.9	-176.5	0	0	0	0	0	111.1	Q109	A107-Q109 PolarHBondContact O-N 3.08Å
108	R	45.1	Very low	49.7	Very low	249 Å²	249	139.1 Å²	139.1	94%	0.94	80%	0.802	S	S	*	*			trans	-59.3	106.5	174.2	-67.3	173.6	164.6	170.4	-5.2	108.7
109	Q	53.4	Low	50.1	Low	190 Å²	190	136.3 Å²	136.3	89%	0.888	79%	0.792	S	S	*	*			trans	-92.7	131.2	164.9	-71.1	-168.8	54	0	0	109.1	A107	A107-Q109 PolarHBondContact O-N 3.08Å
110	T	36.7	Very low	50.6	Low	140 Å²	140	138.1 Å²	138.1	86%	0.859	79%	0.79	S	S	*	*			trans	-52.6	136.5	-169.9	-58	0	0	0	0	113.1	S112	T110-S112 PolarHBondContact O-N 3.11Å
111	L	42.2	Very low	51.2	Low	164 Å²	164	140.8 Å²	140.8	86%	0.859	80%	0.795	S	S	*	*			trans	-42	127.6	178.6	-69.3	155.2	0	0	0	113.3
112	S	47.9	Very low	51.4	Low	81 Å²	81	138 Å²	138	57%	0.566	79%	0.787	S	S	*	*			trans	-87	122.5	163.1	168.1	0	0	0	0	109.2	T110 I114	T110-S112 PolarHBondContact O-N 3.11Å; S112-I114 VanDerWaalsContact C-N 3.26Å; S112-I114 PolarHBondContact O-N 3.16Å; S112-I114 WeakPolarHBondContact OG-CB 3.43Å; S112-I114 WeakPolarHBondContact OG-CD1 3.2Å; S112-I114 WeakPolarHBondContact OG-CG1 3.37Å; S112-I114 PolarHBondContact OG-N 3.01Å; S112-I114 VanDerWaalsContact OG-N 3.16Å
113	P	53.4	Low	51.4	Low	128 Å²	128	136.4 Å²	136.4	83%	0.831	79%	0.786	S	S	*	*			trans	-90.1	62.8	159.1	34.2	-29.8	0	0	0	109	G115	P113-G115 PolarHBondContact O-N 3.01Å
114	I	51.4	Low	51.4	Low	138 Å²	138	138.9 Å²	138.9	71%	0.708	79%	0.792	S	S	*	*			trans	-79.8	82.9	164.9	-70.8	162.3	0	0	0	106.8	S112 I116	S112-I114 VanDerWaalsContact C-N 3.26Å; S112-I114 PolarHBondContact O-N 3.16Å; S112-I114 WeakPolarHBondContact OG-CB 3.43Å; S112-I114 WeakPolarHBondContact OG-CD1 3.2Å; S112-I114 WeakPolarHBondContact OG-CG1 3.37Å; S112-I114 PolarHBondContact OG-N 3.01Å; S112-I114 VanDerWaalsContact OG-N 3.16Å; I114-I116 PolarHBondContact O-N 2.79Å
115	G	51.2	Low	50.8	Low	65 Å²	65	137.6 Å²	137.6	67%	0.67	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.7	116.8	165.8	0	0	0	0	0	109	P113 P117	P113-G115 PolarHBondContact O-N 3.01Å; G115-P117 WeakPolarHBondContact O-CD 3.24Å
116	I	56.2	Low	51.1	Low	144 Å²	144	132.9 Å²	132.9	74%	0.738	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-75.8	116.8	174.8	-60.4	168.1	0	0	0	107	I114 T118	I114-I116 PolarHBondContact O-N 2.79Å; I116-T118 PolarHBondContact O-N 3.17Å
117	P	56	Low	51.2	Low	104 Å²	104	137 Å²	137	68%	0.675	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-63.3	127.4	177.1	24	-30.7	0	0	0	109.6	G115 T119	G115-P117 WeakPolarHBondContact O-CD 3.24Å; P117-T119 PolarHBondContact O-N 2.76Å; P117-T119 VanDerWaalsContact O-N 3.16Å
118	T	59.9	Low	51.4	Low	142 Å²	142	141.9 Å²	141.9	87%	0.871	78%	0.782	S	S	*	*	S	Bend	trans	-75.4	6	-175.9	-64.7	0	0	0	0	113.4	I116	I116-T118 PolarHBondContact O-N 3.17Å
119	T	59.9	Low	51.4	Low	109 Å²	109	139.7 Å²	139.7	67%	0.669	77%	0.774	S	S	*	*	S	Bend	trans	-125.2	128.3	-178.9	52.7	0	0	0	0	112.3	P117	P117-T119 PolarHBondContact O-N 2.76Å; P117-T119 VanDerWaalsContact O-N 3.16Å
120	P	58.4	Low	51.1	Low	114 Å²	114	141.3 Å²	141.3	74%	0.74	77%	0.772	S	S	*	*			trans	-66.1	145	179.3	26.1	-32.6	0	0	0	111.4
121	P	60	Low	51.6	Low	119 Å²	119	142.7 Å²	142.7	77%	0.773	77%	0.773	S	S	*	*			trans	-63	135.1	-178.4	23	-31.5	0	0	0	111.3	K123	P121-K123 PolarHBondContact O-N 3.43Å
122	P	55.2	Low	51.8	Low	117 Å²	117	141.9 Å²	141.9	76%	0.76	77%	0.769	S	S	*	*			trans	-67.1	99.4	176.3	24.9	-31	0	0	0	110.4	L124	P122-L124 PolarHBondContact O-N 3.08Å
123	K	52.6	Low	52	Low	204 Å²	204	144.1 Å²	144.1	89%	0.887	78%	0.782	S	S	*	*			trans	14.6	71.2	148.1	-138.4	177.1	-164.6	173.2	0	115.9	P121 A125	P121-K123 PolarHBondContact O-N 3.43Å; K123-A125 PolarHBondContact O-N 3.49Å
124	L	50.6	Low	51.9	Low	174 Å²	174	144.1 Å²	144.1	91%	0.911	77%	0.773	S	S	*	*			trans	-76.2	95.2	163.8	-70.4	177.7	0	0	0	108	P122 S126	P122-L124 PolarHBondContact O-N 3.08Å; L124-S126 PolarHBondContact O-N 3.24Å
125	A	38.7	Very low	51.7	Low	95 Å²	95	145.4 Å²	145.4	79%	0.785	78%	0.781	S	S	*	*			trans	-54.8	116.8	173.6	0	0	0	0	0	110.3	K123	K123-A125 PolarHBondContact O-N 3.49Å
126	S	54.9	Low	51.2	Low	89 Å²	89	150.6 Å²	150.6	62%	0.622	78%	0.781	S	S	*	*			trans	-117.7	96.2	156.7	110	0	0	0	0	107.1	L124 F128	L124-S126 PolarHBondContact O-N 3.24Å; S126-F128 PolarHBondContact O-N 3.06Å
127	R	47.2	Very low	50.3	Low	225 Å²	225	151.3 Å²	151.3	85%	0.849	78%	0.783	S	S	*	*			trans	-76.8	43.4	177.4	-163.1	-171.9	-82.6	-172.8	-4.8	109.6	R129	R127-R129 VanDerWaalsContact C-N 3.26Å; R127-R129 PolarHBondContact O-N 3.04Å
128	F	48.9	Very low	49.4	Very low	188 Å²	188	155.8 Å²	155.8	83%	0.825	79%	0.787	S	S	*	*			trans	-81.6	83.5	177	-70.1	-65.3	0	0	0	109.4	S126 R130	S126-F128 PolarHBondContact O-N 3.06Å; F128-R130 PolarHBondContact O-N 3.43Å
129	R	44.1	Very low	49	Very low	204 Å²	204	157.1 Å²	157.1	77%	0.77	78%	0.777	S	S	*	*			trans	-51.2	117.8	159.3	-74.4	175.9	168	-121.2	-0.8	108.4	R127	R127-R129 VanDerWaalsContact C-N 3.26Å; R127-R129 PolarHBondContact O-N 3.04Å
130	R	47.3	Very low	48.2	Very low	223 Å²	223	163.3 Å²	163.3	84%	0.842	79%	0.788	S	S	*	*			trans	51.5	82.9	142.3	-57.2	179.1	177.2	173.9	-3	115.2	F128	F128-R130 PolarHBondContact O-N 3.43Å
131	L	47	Very low	47.7	Very low	169 Å²	169	166.2 Å²	166.2	89%	0.885	79%	0.786	S	S	*	*			trans	-114.3	126.2	142.6	-73.8	173.2	0	0	0	107.8	P133	L131-P133 WeakPolarHBondContact O-CD 3.32Å
132	L	46.4	Very low	47.1	Very low	148 Å²	148	166.3 Å²	166.3	78%	0.775	79%	0.789	S	S	*	*			trans	-56.4	119.7	172.1	-79.8	148.5	0	0	0	107.6	I134	L132-I134 HydrophobicContact CB-CD1 4.1Å; L132-I134 HydrophobicContact CB-CG1 4.18Å; L132-I134 PolarHBondContact O-N 2.85Å
133	P	52.4	Low	46.7	Very low	128 Å²	128	168.2 Å²	168.2	83%	0.831	79%	0.791	S	S	*	*			trans	-75.5	71.8	-179.8	30.6	-32.8	0	0	0	109.3	L131	L131-P133 WeakPolarHBondContact O-CD 3.32Å
134	I	52.5	Low	46.3	Very low	127 Å²	127	163 Å²	163	65%	0.651	78%	0.781	S	S	*	*			trans	-97	-16.3	178.5	-66.3	175.2	0	0	0	111.8	L132	L132-I134 HydrophobicContact CB-CD1 4.1Å; L132-I134 HydrophobicContact CB-CG1 4.18Å; L132-I134 PolarHBondContact O-N 2.85Å
135	L	46	Very low	45.6	Very low	165 Å²	165	162.4 Å²	162.4	86%	0.864	78%	0.778	S	S	*	*			trans	-144.8	64.7	-175.6	-68.4	172.7	0	0	0	114
136	Y	41	Very low	46.1	Very low	175 Å²	175	163 Å²	163	69%	0.686	78%	0.776	S	S	*	*			trans	-129.8	77.3	162.6	-156.6	-100.1	0	0	0	111.2	W138	Y136-W138 HydrophobicContact CD1-CB 4.44Å; Y136-W138 HydrophobicContact CD1-CG 4.5Å; Y136-W138 AromaticContact CD2-CD1 3.79Å; Y136-W138 HydrophobicContact CE1-CB 3.9Å; Y136-W138 AromaticContact CE1-CD1 3.79Å; Y136-W138 HydrophobicContact CE1-CD2 4.47Å; Y136-W138 AromaticContact CE1-CG 3.78Å; Y136-W138 HydrophobicContact CE1-CG 3.78Å; Y136-W138 AromaticContact CE2-CD1 3.26Å; Y136-W138 HydrophobicContact CE2-CD2 4.4Å; Y136-W138 AromaticContact CE2-CE2 3.98Å; Y136-W138 AromaticContact CE2-CG 3.99Å; Y136-W138 HydrophobicContact CE2-CG 3.99Å; Y136-W138 AromaticContact CE2-NE1 3.25Å; Y136-W138 VanDerWaalsContact CE2-NE1 3.25Å; Y136-W138 AromaticContact CZ-CD1 3.27Å; Y136-W138 AromaticContact CZ-CD2 3.84Å; Y136-W138 AromaticContact CZ-CE2 3.83Å; Y136-W138 AromaticContact CZ-CG 3.49Å; Y136-W138 VanDerWaalsContact CZ-CG 3.49Å; Y136-W138 AromaticContact CZ-NE1 3.48Å; Y136-W138 VanDerWaalsContact OH-CD2 3.31Å; Y136-W138 VanDerWaalsContact OH-CE2 3.32Å; Y136-W138 PolarHBondContact OH-NE1 2.87Å
137	M	37.8	Very low	45.7	Very low	158 Å²	158	163.8 Å²	163.8	78%	0.778	78%	0.781	S	S	*	*			trans	-106.1	89.4	171	-175.8	-175.2	70.8	0	0	108.1
138	W	37.3	Very low	45.5	Very low	199 Å²	199	162.6 Å²	162.6	75%	0.754	78%	0.782	S	S	*	*			trans	-93.4	11.8	-177.3	-106.6	58.4	0	0	0	114.7	Y136	Y136-W138 HydrophobicContact CD1-CB 4.44Å; Y136-W138 HydrophobicContact CD1-CG 4.5Å; Y136-W138 AromaticContact CD2-CD1 3.79Å; Y136-W138 HydrophobicContact CE1-CB 3.9Å; Y136-W138 AromaticContact CE1-CD1 3.79Å; Y136-W138 HydrophobicContact CE1-CD2 4.47Å; Y136-W138 AromaticContact CE1-CG 3.78Å; Y136-W138 HydrophobicContact CE1-CG 3.78Å; Y136-W138 AromaticContact CE2-CD1 3.26Å; Y136-W138 HydrophobicContact CE2-CD2 4.4Å; Y136-W138 AromaticContact CE2-CE2 3.98Å; Y136-W138 AromaticContact CE2-CG 3.99Å; Y136-W138 HydrophobicContact CE2-CG 3.99Å; Y136-W138 AromaticContact CE2-NE1 3.25Å; Y136-W138 VanDerWaalsContact CE2-NE1 3.25Å; Y136-W138 AromaticContact CZ-CD1 3.27Å; Y136-W138 AromaticContact CZ-CD2 3.84Å; Y136-W138 AromaticContact CZ-CE2 3.83Å; Y136-W138 AromaticContact CZ-CG 3.49Å; Y136-W138 VanDerWaalsContact CZ-CG 3.49Å; Y136-W138 AromaticContact CZ-NE1 3.48Å; Y136-W138 VanDerWaalsContact OH-CD2 3.31Å; Y136-W138 VanDerWaalsContact OH-CE2 3.32Å; Y136-W138 PolarHBondContact OH-NE1 2.87Å
139	Y	51.3	Low	45.2	Very low	170 Å²	170	158.4 Å²	158.4	67%	0.667	78%	0.782	S	S	*	*			trans	-138.5	96.2	178.8	-128.6	-85.7	0	0	0	111.8	Y141	Y139-Y141 VanDerWaalsContact C-N 3.3Å; Y139-Y141 AromaticContact CD1-CD2 3.33Å; Y139-Y141 HydrophobicContact CD1-CD2 3.33Å; Y139-Y141 AromaticContact CD1-CE2 3.24Å; Y139-Y141 HydrophobicContact CD1-CE2 3.24Å; Y139-Y141 HydrophobicContact CD1-CG 4.26Å; Y139-Y141 AromaticContact CE1-CD2 3.69Å; Y139-Y141 HydrophobicContact CE1-CD2 3.69Å; Y139-Y141 HydrophobicContact CE1-CE1 4.46Å; Y139-Y141 AromaticContact CE1-CE2 3.08Å; Y139-Y141 HydrophobicContact CE1-CE2 3.08Å; Y139-Y141 AromaticContact CE1-CZ 3.53Å; Y139-Y141 HydrophobicContact CG-CD2 4.47Å; Y139-Y141 HydrophobicContact CG-CE2 4.46Å; Y139-Y141 PolarHBondContact O-N 3.14Å
140	R	43.1	Very low	45.2	Very low	239 Å²	239	152.7 Å²	152.7	90%	0.902	77%	0.771	S	S	*	*			trans	-70.8	80.2	167.8	-82.1	175.5	167.4	167.3	-4.1	109.2	S142	R140-S142 PolarHBondContact O-N 3.47Å
141	Y	47.3	Very low	45.3	Very low	175 Å²	175	154 Å²	154	69%	0.686	78%	0.777	S	S	*	*			trans	-82.1	103.8	155.2	-88.8	-68.6	0	0	0	107.9	Y139 I143	Y139-Y141 VanDerWaalsContact C-N 3.3Å; Y139-Y141 AromaticContact CD1-CD2 3.33Å; Y139-Y141 HydrophobicContact CD1-CD2 3.33Å; Y139-Y141 AromaticContact CD1-CE2 3.24Å; Y139-Y141 HydrophobicContact CD1-CE2 3.24Å; Y139-Y141 HydrophobicContact CD1-CG 4.26Å; Y139-Y141 AromaticContact CE1-CD2 3.69Å; Y139-Y141 HydrophobicContact CE1-CD2 3.69Å; Y139-Y141 HydrophobicContact CE1-CE1 4.46Å; Y139-Y141 AromaticContact CE1-CE2 3.08Å; Y139-Y141 HydrophobicContact CE1-CE2 3.08Å; Y139-Y141 AromaticContact CE1-CZ 3.53Å; Y139-Y141 HydrophobicContact CG-CD2 4.47Å; Y139-Y141 HydrophobicContact CG-CE2 4.46Å; Y139-Y141 PolarHBondContact O-N 3.14Å; Y141-I143 VanDerWaalsContact C-N 3.34Å; Y141-I143 PolarHBondContact O-N 2.97Å
142	S	47.3	Very low	45.2	Very low	121 Å²	121	149.3 Å²	149.3	85%	0.846	77%	0.768	S	S	*	*			trans	-65.5	93.2	166.8	-176	0	0	0	0	107.9	R140 S144	R140-S142 PolarHBondContact O-N 3.47Å; S142-S144 PolarHBondContact O-N 3.49Å
143	I	47	Very low	45.5	Very low	156 Å²	156	150.6 Å²	150.6	80%	0.8	78%	0.775	S	S	*	*			trans	-76.5	109.7	172	-61.3	179.3	0	0	0	106.8	Y141 N145	Y141-I143 VanDerWaalsContact C-N 3.34Å; Y141-I143 PolarHBondContact O-N 2.97Å; I143-N145 PolarHBondContact O-N 2.88Å
144	S	43.9	Very low	45.6	Very low	95 Å²	95	150 Å²	150	66%	0.664	77%	0.774	S	S	*	*			trans	-53.6	126.3	173	-178.6	0	0	0	0	110.4	S142 C146	S142-S144 PolarHBondContact O-N 3.49Å; S144-C146 PolarHBondContact O-N 2.76Å
145	N	37	Very low	45.6	Very low	161 Å²	161	150.4 Å²	150.4	86%	0.861	78%	0.782	S	S	*	*			trans	-73	103	-179.9	-171.1	7.1	0	0	0	109.8	I143	I143-N145 PolarHBondContact O-N 2.88Å
146	C	49	Very low	45.6	Very low	108 Å²	108	148.6 Å²	148.6	73%	0.73	77%	0.773	S	S	*	*			trans	-128.3	109.7	163.4	42.5	0	0	0	0	112.1	S144	S144-C146 PolarHBondContact O-N 2.76Å
147	S	45.6	Very low	45.7	Very low	105 Å²	105	145 Å²	145	73%	0.734	77%	0.773	S	S	*	*			trans	35.6	104.6	156	54.9	0	0	0	0	120	A149	S147-A149 PolarHBondContact O-N 2.74Å; S147-A149 VanDerWaalsContact O-N 3.13Å
148	K	43	Very low	46.1	Very low	201 Å²	201	147.4 Å²	147.4	87%	0.874	77%	0.774	S	S	*	*			trans	-55.3	109	142.1	-76.3	169.3	175	164.5	0	108.5	P150	K148-P150 WeakPolarHBondContact O-CD 3.26Å
149	A	42.6	Very low	46.1	Very low	100 Å²	100	143.7 Å²	143.7	83%	0.826	77%	0.772	S	S	*	*			trans	-93.2	98.1	145.8	0	0	0	0	0	106.2	S147	S147-A149 PolarHBondContact O-N 2.74Å; S147-A149 VanDerWaalsContact O-N 3.13Å
150	P	45.3	Very low	45.9	Very low	83 Å²	83	141.5 Å²	141.5	54%	0.539	78%	0.777	S	S	.	*			trans	-79.3	173.3	163.5	19.6	-1.6	0	0	0	108.1	K148	K148-P150 WeakPolarHBondContact O-CD 3.26Å
151	W	49.3	Very low	45.6	Very low	252 Å²	252	135.2 Å²	135.2	96%	0.955	77%	0.769	S	S	*	*			trans	88.5	72.9	167.1	-48.4	86.1	0	0	0	115.6
152	G	44.9	Very low	45.4	Very low	69 Å²	69	133 Å²	133	71%	0.711	77%	0.768	S	S	*	*			trans	-162.4	23.8	165.3	0	0	0	0	0	115.3	S154	G152-S154 PolarHBondContact O-N 3.23Å
153	L	52.9	Low	45.3	Very low	175 Å²	175	136.6 Å²	136.6	92%	0.916	77%	0.768	S	S	*	*			trans	-90.2	94.8	163.2	-71.9	-178.1	0	0	0	107.9	V155	L153-V155 PolarHBondContact O-N 3.28Å
154	S	52.7	Low	45	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	77%	0.766	S	S	*	*			trans	-62.4	95.7	168.5	42.7	0	0	0	0	109.2	G152 L156	G152-S154 PolarHBondContact O-N 3.23Å; S154-L156 PolarHBondContact O-N 2.95Å
155	V	52.6	Low	44.9	Very low	135 Å²	135	134.1 Å²	134.1	82%	0.818	77%	0.771	S	S	*	*			trans	-68.5	104.8	162.7	170.4	0	0	0	0	106.2	L153 S157	L153-V155 PolarHBondContact O-N 3.28Å; V155-S157 PolarHBondContact O-N 2.75Å
156	L	46.4	Very low	45.3	Very low	127 Å²	127	131.9 Å²	131.9	67%	0.665	76%	0.763	S	S	*	*			trans	-53.9	106.6	172.2	-170.9	74	0	0	0	107.6	S154 R158	S154-L156 PolarHBondContact O-N 2.95Å; L156-R158 HydrophobicContact CD2-CG 3.76Å; L156-R158 HydrophobicContact CG-CG 4.01Å; L156-R158 PolarHBondContact O-N 3.14Å
157	S	42.6	Very low	44.8	Very low	99 Å²	99	136.4 Å²	136.4	69%	0.692	77%	0.771	S	S	*	*			trans	-68.6	74.6	172.4	57.1	0	0	0	0	108.4	V155 V159	V155-S157 PolarHBondContact O-N 2.75Å; S157-V159 PolarHBondContact O-N 2.89Å
158	R	47.2	Very low	44.9	Very low	209 Å²	209	138.4 Å²	138.4	79%	0.789	77%	0.772	S	S	*	*			trans	-73.4	74.1	159.7	-72.5	-171.1	170.3	-157.8	-1.8	107.3	L156 T160	L156-R158 HydrophobicContact CD2-CG 3.76Å; L156-R158 HydrophobicContact CG-CG 4.01Å; L156-R158 PolarHBondContact O-N 3.14Å; R158-T160 PolarHBondContact O-N 3.12Å
159	V	38.1	Very low	44.9	Very low	120 Å²	120	133.7 Å²	133.7	73%	0.727	76%	0.764	S	S	*	*			trans	-62.4	84.7	154.8	-179.4	0	0	0	0	105.7	S157	S157-V159 PolarHBondContact O-N 2.89Å
160	T	46.4	Very low	45.5	Very low	124 Å²	124	133.8 Å²	133.8	76%	0.761	76%	0.756	S	S	*	*			trans	-137.1	44.5	150.4	-32	0	0	0	0	107.1	R158 I162	R158-T160 PolarHBondContact O-N 3.12Å; T160-I162 PolarHBondContact O-N 2.71Å
161	C	37.6	Very low	45.4	Very low	108 Å²	108	135.2 Å²	135.2	73%	0.73	77%	0.768	S	S	*	*			trans	-58.6	103.6	143.2	-175.9	0	0	0	0	103.8
162	I	42	Very low	45.4	Very low	129 Å²	129	129.9 Å²	129.9	66%	0.662	76%	0.758	S	S	*	*	S	Bend		-179.8	134.1	103.1	4.2	166	0	0	0	109.9	T160	T160-I162 PolarHBondContact O-N 2.71Å
163	F	46.3	Very low	45.4	Very low	196 Å²	196	130.7 Å²	130.7	86%	0.86	75%	0.752	S	S	*	*			trans	56.7	78.9	155.6	-70.3	-83.9	0	0	0	120.1
164	T	39.2	Very low	45.2	Very low	124 Å²	124	130.9 Å²	130.9	76%	0.761	75%	0.753	S	S	*	*			trans	-124.9	104.3	139.8	-38	0	0	0	0	107.5	T166	T164-T166 PolarHBondContact O-N 3.15Å; T164-T166 PolarHBondContact O-OG1 3.14Å
165	G	42.8	Very low	45.1	Very low	74 Å²	74	136.5 Å²	136.5	76%	0.763	76%	0.757	S	S	*	*			trans	-61.2	80.4	171.8	0	0	0	0	0	110.1	K167	G165-K167 PolarHBondContact O-N 2.78Å; G165-K167 VanDerWaalsContact O-N 3.12Å
166	T	44.4	Very low	44.9	Very low	114 Å²	114	137 Å²	137	70%	0.699	75%	0.75	S	S	*	*			trans	-76.9	100.4	169.1	12.2	0	0	0	0	105.7	T164 I168	T164-T166 PolarHBondContact O-N 3.15Å; T164-T166 PolarHBondContact O-OG1 3.14Å; T166-I168 WeakPolarHBondContact O-CG1 3.2Å; T166-I168 PolarHBondContact O-N 3.24Å
167	K	40.1	Very low	45.2	Very low	203 Å²	203	136.6 Å²	136.6	88%	0.883	76%	0.756	S	S	*	*			trans	-59.5	81.2	166.1	-63.4	177.7	-176.9	174.9	0	107.7	G165 S169	G165-K167 PolarHBondContact O-N 2.78Å; G165-K167 VanDerWaalsContact O-N 3.12Å; K167-S169 PolarHBondContact O-N 3.06Å
168	I	47.3	Very low	45.6	Very low	148 Å²	148	137.7 Å²	137.7	76%	0.759	76%	0.761	S	S	*	*			trans	-70.7	94.5	167.4	-31.7	177.9	0	0	0	104	T166 P170	T166-I168 WeakPolarHBondContact O-CG1 3.2Å; T166-I168 PolarHBondContact O-N 3.24Å; I168-P170 WeakPolarHBondContact O-CD 3.41Å
169	S	43	Very low	45.8	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	76%	0.756	S	S	*	*			trans	-55	99.3	174.9	166.1	0	0	0	0	108.1	K167 S171	K167-S169 PolarHBondContact O-N 3.06Å; S169-S171 PolarHBondContact O-N 3.25Å; S169-S171 VanDerWaalsContact O-N 3.14Å
170	P	54	Low	46.7	Very low	101 Å²	101	136.7 Å²	136.7	66%	0.656	76%	0.761	S	S	*	*			trans	-75.6	110	169.2	20.1	-3.2	0	0	0	103.9	I168 L172	I168-P170 WeakPolarHBondContact O-CD 3.41Å; P170-L172 VanDerWaalsContact C-N 3.25Å; P170-L172 PolarHBondContact O-N 3.21Å
171	S	42.8	Very low	47	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	76%	0.761	S	S	*	*			trans	-53.5	98	166.5	38.9	0	0	0	0	107.6	S169 S173	S169-S171 PolarHBondContact O-N 3.25Å; S169-S171 VanDerWaalsContact O-N 3.14Å; S171-S173 PolarHBondContact O-N 2.87Å
172	L	50.7	Low	47.5	Very low	140 Å²	140	138.5 Å²	138.5	73%	0.733	76%	0.757	S	S	*	*			trans	-66.2	104.4	179.3	-85.3	159.1	0	0	0	106.4	P170 L174	P170-L172 VanDerWaalsContact C-N 3.25Å; P170-L172 PolarHBondContact O-N 3.21Å; L172-L174 PolarHBondContact O-N 3.19Å
173	S	43.8	Very low	48	Very low	85 Å²	85	141.5 Å²	141.5	59%	0.594	77%	0.766	S	S	*	*			trans	-43.2	124.3	174.4	178.6	0	0	0	0	110.1	S171 R175 Q176	S171-S173 PolarHBondContact O-N 2.87Å; S173-R175 PolarHBondContact O-N 3.12Å; S173-Q176 PolarHBondContact O-N 3.18Å
174	L	49.9	Very low	48.5	Very low	180 Å²	180	142.7 Å²	142.7	94%	0.942	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	3.4	-178.4	-88.6	157.7	0	0	0	115.8	L172	L172-L174 PolarHBondContact O-N 3.19Å
175	R	50.5	Low	49.2	Very low	235 Å²	235	141.7 Å²	141.7	89%	0.887	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-6.2	179.4	-71.1	-172.8	-179.2	-113.1	1	114.6	S173	S173-R175 PolarHBondContact O-N 3.12Å
176	Q	48.2	Very low	49.5	Very low	145 Å²	145	141.4 Å²	141.4	68%	0.678	77%	0.765	S	S	*	*			trans	-94.5	114.4	167.8	-71.5	-178.9	-21.2	0	0	107	S173 P178	S173-Q176 PolarHBondContact O-N 3.18Å; Q176-P178 WeakPolarHBondContact O-CD 3.44Å
177	C	52.9	Low	49.8	Very low	118 Å²	118	147.2 Å²	147.2	80%	0.797	78%	0.775	S	S	*	*			trans	-85	97.1	168.9	-161.2	0	0	0	0	105.7	N179	C177-N179 PolarHBondContact O-N 2.87Å
178	P	50.3	Low	50.5	Low	123 Å²	123	145.4 Å²	145.4	80%	0.799	77%	0.774	S	S	*	*			trans	-78.4	74.3	-174	34	-35.9	0	0	0	109.4	Q176 H180	Q176-P178 WeakPolarHBondContact O-CD 3.44Å; P178-H180 PolarHBondContact O-N 2.76Å
179	N	51.5	Low	50.9	Low	128 Å²	128	143.8 Å²	143.8	68%	0.684	77%	0.767	S	S	*	*			trans	-91.1	22.5	175.7	-149.1	5.5	0	0	0	112.9	C177	C177-N179 PolarHBondContact O-N 2.87Å
180	H	58.1	Low	51.2	Low	180 Å²	180	143.3 Å²	143.3	83%	0.833	76%	0.762	S	S	*	*			trans	-100.1	103.3	172.3	-91.8	-84.7	0	0	0	109.2	P178 A182	P178-H180 PolarHBondContact O-N 2.76Å; H180-A182 PolarHBondContact O-N 2.8Å
181	Y	51.8	Low	51.3	Low	190 Å²	190	144.8 Å²	144.8	75%	0.745	76%	0.764	S	S	*	*			trans	-45.9	102.1	162.4	-78	-98	0	0	0	109	F183	Y181-F183 VanDerWaalsContact C-N 3.34Å; Y181-F183 WeakPolarHBondContact O-CD2 3.5Å; Y181-F183 PolarHBondContact O-N 3.39Å
182	A	47.2	Very low	51.7	Low	79 Å²	79	148.3 Å²	148.3	65%	0.653	77%	0.765	S	S	*	*			trans	-74	94.4	171.9	0	0	0	0	0	106.9	H180 R184	H180-A182 PolarHBondContact O-N 2.8Å; A182-R184 PolarHBondContact O-N 3.15Å
183	F	53.5	Low	52	Low	192 Å²	192	147.8 Å²	147.8	84%	0.842	76%	0.759	S	S	*	*			trans	-61	91.5	166.4	-66.7	-82.6	0	0	0	107.7	Y181 A185	Y181-F183 VanDerWaalsContact C-N 3.34Å; Y181-F183 WeakPolarHBondContact O-CD2 3.5Å; Y181-F183 PolarHBondContact O-N 3.39Å; F183-A185 PolarHBondContact O-N 2.99Å
184	R	55.8	Low	52.6	Low	222 Å²	222	150.5 Å²	150.5	84%	0.838	76%	0.76	S	S	*	*			trans	-66.2	115.2	170	-64.3	-166	-179.8	-80.1	-1.1	105.7	A182 G186	A182-R184 PolarHBondContact O-N 3.15Å; R184-G186 VanDerWaalsContact C-N 3.28Å; R184-G186 PolarHBondContact O-N 3.26Å
185	A	55	Low	53.4	Low	103 Å²	103	151.4 Å²	151.4	85%	0.851	75%	0.751	S	S	*	*			trans	-57.1	96	173.8	0	0	0	0	0	108.5	F183 R187	F183-A185 PolarHBondContact O-N 2.99Å; A185-R187 PolarHBondContact O-N 2.96Å; A185-R187 VanDerWaalsContact O-N 3.08Å
186	G	49.9	Very low	53.9	Low	67 Å²	67	149.2 Å²	149.2	69%	0.691	74%	0.744	S	S	*	*			trans	-67.1	104.8	173.5	0	0	0	0	0	108	R184 N188	R184-G186 VanDerWaalsContact C-N 3.28Å; R184-G186 PolarHBondContact O-N 3.26Å; G186-N188 PolarHBondContact O-N 2.92Å
187	R	50.3	Low	54.5	Low	237 Å²	237	147 Å²	147	89%	0.894	74%	0.736	S	S	*	*	S	Bend	trans	13.8	106.1	144.6	-56.3	177	84.2	166.1	4.2	114.2	A185 L189	A185-R187 PolarHBondContact O-N 2.96Å; A185-R187 VanDerWaalsContact O-N 3.08Å; R187-L189 PolarHBondContact O-N 3.12Å; R187-L189 VanDerWaalsContact O-N 3.08Å
188	N	54.2	Low	55.3	Low	164 Å²	164	150.5 Å²	150.5	88%	0.877	73%	0.733	S	S	*	*			trans	21.3	75.3	151	-61.6	-24.8	0	0	0	115.7	G186	G186-N188 PolarHBondContact O-N 2.92Å
189	L	55.7	Low	56.2	Low	115 Å²	115	148.8 Å²	148.8	60%	0.602	72%	0.72	S	S	*	*			trans	-77.4	118.6	163.3	-166.9	68.6	0	0	0	107.7	R187 D191 E193	R187-L189 PolarHBondContact O-N 3.12Å; R187-L189 VanDerWaalsContact O-N 3.08Å; L189-D191 PolarHBondContact O-N 2.94Å; L189-E193 WeakPolarHBondContact CD2-OE2 3.44Å
190	P	49.9	Very low	57.2	Low	92 Å²	92	146.4 Å²	146.4	60%	0.597	71%	0.71	S	S	*	*			trans	-78.3	111.2	-162.4	29.9	-32.8	0	0	0	111.5	K192	P190-K192 PolarHBondContact O-N 3.02Å
191	D	55.4	Low	57.9	Low	131 Å²	131	143.3 Å²	143.3	70%	0.701	70%	0.698	S	S	*	*	S	Bend	trans	54.4	-10.2	144.9	-144.5	35.6	0	0	0	120.3	L189	L189-D191 PolarHBondContact O-N 2.94Å
192	K	51.4	Low	58.9	Low	188 Å²	188	138.1 Å²	138.1	82%	0.817	69%	0.686	S	S	*	*	S	Bend	trans	-92.9	-21.7	-170.6	-67.5	-176.5	-176.9	178.4	0	114	P190	P190-K192 PolarHBondContact O-N 3.02Å
193	E	57.8	Low	60	Low	130 Å²	130	138.1 Å²	138.1	61%	0.607	68%	0.678	S	S	*	*	S	Bend	trans	-98.3	-27.9	-173.5	-62.7	-174.9	177.7	0	0	113.6	L189 R195 Y196	L189-E193 WeakPolarHBondContact CD2-OE2 3.44Å; E193-R195 VanDerWaalsContact C-N 3.33Å; E193-R195 PolarHBondContact O-N 2.94Å; E193-Y196 PolarHBondContact O-N 3.29Å
194	F	56.2	Low	60.7	Low	142 Å²	142	131.7 Å²	131.7	62%	0.623	66%	0.66	S	S	*	*	H	α-helix	trans	-74.6	-20.3	-179.1	-67.6	-70	0	0	0	114.2	Y196 L197 R198	F194-Y196 VanDerWaalsContact C-N 3.25Å; F194-Y196 PolarHBondContact O-N 2.9Å; F194-L197 HydrophobicContact CD1-CD1 4.18Å; F194-L197 HydrophobicContact CE1-CD1 4.46Å; F194-L197 PolarHBondContact O-N 2.86Å; F194-R198 WeakPolarHBondContact O-CB 3.17Å; F194-R198 PolarHBondContact O-N 3.04Å
195	R	65.3	Low	61.4	Low	199 Å²	199	124 Å²	124	75%	0.751	65%	0.645	S	S	*	*	H	α-helix	trans	-60.5	-38.6	172.7	-88.9	-174.6	171.2	-178.9	-1.7	111.4	E193 T199	E193-R195 VanDerWaalsContact C-N 3.33Å; E193-R195 PolarHBondContact O-N 2.94Å; R195-T199 PolarHBondContact O-N 3.41Å; R195-T199 VanDerWaalsContact O-N 3.13Å; R195-T199 PolarHBondContact O-OG1 3.05Å; R195-T199 VanDerWaalsContact O-OG1 3.11Å
196	Y	60.8	Low	62.2	Low	188 Å²	188	122.9 Å²	122.9	74%	0.737	63%	0.627	S	S	*	*	H	α-helix	trans	-69.8	-45.3	179.6	-138.8	-86.9	0	0	0	111.1	E193 F194 R198 T199 V200	E193-Y196 PolarHBondContact O-N 3.29Å; F194-Y196 VanDerWaalsContact C-N 3.25Å; F194-Y196 PolarHBondContact O-N 2.9Å; Y196-R198 PolarHBondContact O-N 3.01Å; Y196-T199 PolarHBondContact O-N 3.41Å; Y196-V200 HydrophobicContact CD1-CG2 3.94Å; Y196-V200 HydrophobicContact CE1-CG2 4.23Å; Y196-V200 VanDerWaalsContact O-CG2 3.24Å; Y196-V200 WeakPolarHBondContact O-CG2 3.21Å; Y196-V200 PolarHBondContact O-N 2.79Å
197	L	61.8	Low	62.6	Low	99 Å²	99	127.4 Å²	127.4	52%	0.518	62%	0.624	S	S	.	*	H	α-helix	trans	-63.2	-40.8	177.9	-69.6	176	0	0	0	112.5	F194 V200 I201	F194-L197 HydrophobicContact CD1-CD1 4.18Å; F194-L197 HydrophobicContact CE1-CD1 4.46Å; F194-L197 PolarHBondContact O-N 2.86Å; L197-V200 PolarHBondContact O-N 3.45Å; L197-I201 VanDerWaalsContact O-CG1 3.26Å; L197-I201 WeakPolarHBondContact O-CG1 3.06Å; L197-I201 PolarHBondContact O-N 3.18Å
198	R	70	Confident	63	Low	192 Å²	192	126.7 Å²	126.7	73%	0.725	62%	0.622	S	S	*	*	H	α-helix	trans	-63.9	-43.8	176.9	-164.8	-177.5	-169.6	-167.8	3.6	111.4	F194 Y196 I201 V202	F194-R198 WeakPolarHBondContact O-CB 3.17Å; F194-R198 PolarHBondContact O-N 3.04Å; Y196-R198 PolarHBondContact O-N 3.01Å; R198-I201 PolarHBondContact O-N 3.19Å; R198-V202 HydrophobicContact CG-CG2 4.49Å; R198-V202 WeakPolarHBondContact O-CB 2.95Å; R198-V202 WeakPolarHBondContact O-CG2 3.43Å; R198-V202 PolarHBondContact O-N 3.23Å
199	T	68.6	Low	63.2	Low	87 Å²	87	121 Å²	121	53%	0.534	60%	0.602	S	S	.	*	H	α-helix	trans	-62.7	-44.5	175.7	-61.5	0	0	0	0	111.2	R195 Y196 I201 V202 T203	R195-T199 PolarHBondContact O-N 3.41Å; R195-T199 VanDerWaalsContact O-N 3.13Å; R195-T199 PolarHBondContact O-OG1 3.05Å; R195-T199 VanDerWaalsContact O-OG1 3.11Å; Y196-T199 PolarHBondContact O-N 3.41Å; T199-I201 PolarHBondContact O-N 3.13Å; T199-V202 PolarHBondContact O-N 3.13Å; T199-T203 WeakPolarHBondContact O-CB 3.44Å; T199-T203 PolarHBondContact O-N 2.93Å; T199-T203 PolarHBondContact O-OG1 3.22Å
200	V	73	Confident	63.2	Low	77 Å²	77	122.7 Å²	122.7	47%	0.467	61%	0.605	S	S	.	*	H	α-helix	trans	-61	-43.8	177.8	172	0	0	0	0	111.7	Y196 L197 T203 A204	Y196-V200 HydrophobicContact CD1-CG2 3.94Å; Y196-V200 HydrophobicContact CE1-CG2 4.23Å; Y196-V200 VanDerWaalsContact O-CG2 3.24Å; Y196-V200 WeakPolarHBondContact O-CG2 3.21Å; Y196-V200 PolarHBondContact O-N 2.79Å; L197-V200 PolarHBondContact O-N 3.45Å; V200-T203 PolarHBondContact O-N 2.96Å; V200-A204 VanDerWaalsContact O-CB 3.24Å; V200-A204 WeakPolarHBondContact O-CB 3.48Å; V200-A204 PolarHBondContact O-N 3.25Å
201	I	71.6	Confident	63.4	Low	116 Å²	116	123.3 Å²	123.3	60%	0.595	60%	0.603	S	S	*	*	H	α-helix	trans	-64.9	-44.4	176.9	-67.3	165.7	0	0	0	111	L197 R198 T199 A204 A205	L197-I201 VanDerWaalsContact O-CG1 3.26Å; L197-I201 WeakPolarHBondContact O-CG1 3.06Å; L197-I201 PolarHBondContact O-N 3.18Å; R198-I201 PolarHBondContact O-N 3.19Å; T199-I201 PolarHBondContact O-N 3.13Å; I201-A204 PolarHBondContact O-N 2.92Å; I201-A205 WeakPolarHBondContact O-CB 3.34Å; I201-A205 PolarHBondContact O-N 2.9Å
202	V	73.2	Confident	63.5	Low	80 Å²	80	121.4 Å²	121.4	49%	0.485	60%	0.6	S	S	.	*	H	α-helix	trans	-62.7	-46.2	177.9	170.8	0	0	0	0	110.6	R198 T199 A205 V206	R198-V202 HydrophobicContact CG-CG2 4.49Å; R198-V202 WeakPolarHBondContact O-CB 2.95Å; R198-V202 WeakPolarHBondContact O-CG2 3.43Å; R198-V202 PolarHBondContact O-N 3.23Å; T199-V202 PolarHBondContact O-N 3.13Å; V202-A205 PolarHBondContact O-N 3.04Å; V202-V206 HydrophobicContact CG1-CG2 4.38Å; V202-V206 WeakPolarHBondContact O-CB 3.41Å; V202-V206 WeakPolarHBondContact O-CG2 3.36Å; V202-V206 PolarHBondContact O-N 3.16Å
203	T	71.1	Confident	63.6	Low	80 Å²	80	120.7 Å²	120.7	49%	0.491	60%	0.6	S	S	.	*	H	α-helix	trans	-63.9	-42.6	177.1	-58.9	0	0	0	0	111.8	T199 V200 V206 Y207	T199-T203 WeakPolarHBondContact O-CB 3.44Å; T199-T203 PolarHBondContact O-N 2.93Å; T199-T203 PolarHBondContact O-OG1 3.22Å; V200-T203 PolarHBondContact O-N 2.96Å; T203-V206 PolarHBondContact O-N 3.4Å; T203-Y207 WeakPolarHBondContact O-CB 3.07Å; T203-Y207 PolarHBondContact O-N 3.28Å
204	A	68	Low	63.5	Low	56 Å²	56	122 Å²	122	46%	0.463	61%	0.61	S	S	.	*	H	α-helix	trans	-63.3	-41.2	176.1	0	0	0	0	0	112	V200 I201 Y207 W208	V200-A204 VanDerWaalsContact O-CB 3.24Å; V200-A204 WeakPolarHBondContact O-CB 3.48Å; V200-A204 PolarHBondContact O-N 3.25Å; I201-A204 PolarHBondContact O-N 2.92Å; A204-Y207 PolarHBondContact O-N 3.32Å; A204-W208 WeakPolarHBondContact O-CB 3.44Å; A204-W208 PolarHBondContact O-N 3.4Å
205	A	70.6	Confident	63.1	Low	62 Å²	62	129.9 Å²	129.9	51%	0.512	64%	0.635	S	S	.	*	H	α-helix	trans	-66.6	-41.9	176.7	0	0	0	0	0	112.3	I201 V202 G209	I201-A205 WeakPolarHBondContact O-CB 3.34Å; I201-A205 PolarHBondContact O-N 2.9Å; V202-A205 PolarHBondContact O-N 3.04Å; A205-G209 PolarHBondContact O-N 3Å
206	V	72.2	Confident	63	Low	79 Å²	79	126.4 Å²	126.4	48%	0.479	63%	0.63	S	S	.	*	H	α-helix	trans	-61.8	-46.9	175.2	172.2	0	0	0	0	110	V202 T203 G209 F210	V202-V206 HydrophobicContact CG1-CG2 4.38Å; V202-V206 WeakPolarHBondContact O-CB 3.41Å; V202-V206 WeakPolarHBondContact O-CG2 3.36Å; V202-V206 PolarHBondContact O-N 3.16Å; T203-V206 PolarHBondContact O-N 3.4Å; V206-G209 PolarHBondContact O-N 3.04Å; V206-F210 HydrophobicContact CG1-CD2 3.94Å; V206-F210 HydrophobicContact CG1-CE2 3.61Å; V206-F210 WeakPolarHBondContact O-CD2 3.15Å; V206-F210 PolarHBondContact O-N 3.16Å
207	Y	58.2	Low	63.1	Low	162 Å²	162	123.2 Å²	123.2	64%	0.635	62%	0.624	S	S	*	*	H	α-helix	trans	-68.3	-39.8	-179.4	-151.7	-96.4	0	0	0	112.7	T203 A204 G209 F210 N211	T203-Y207 WeakPolarHBondContact O-CB 3.07Å; T203-Y207 PolarHBondContact O-N 3.28Å; A204-Y207 PolarHBondContact O-N 3.32Å; Y207-G209 VanDerWaalsContact C-N 3.26Å; Y207-G209 PolarHBondContact O-N 3.48Å; Y207-F210 PolarHBondContact O-N 3.03Å; Y207-N211 PolarHBondContact O-N 3.38Å
208	W	57.6	Low	63.2	Low	221 Å²	221	124.5 Å²	124.5	84%	0.837	63%	0.63	S	S	*	*	H	α-helix	trans	-62.9	-35	174.4	-167.2	-88.6	0	0	0	112	A204	A204-W208 WeakPolarHBondContact O-CB 3.44Å; A204-W208 PolarHBondContact O-N 3.4Å
209	G	58.4	Low	62.8	Low	46 Å²	46	120.5 Å²	120.5	47%	0.474	62%	0.624	S	S	.	*	H	α-helix	trans	-67.7	-32	176.5	0	0	0	0	0	114.5	A205 V206 Y207 S212	A205-G209 PolarHBondContact O-N 3Å; V206-G209 PolarHBondContact O-N 3.04Å; Y207-G209 VanDerWaalsContact C-N 3.26Å; Y207-G209 PolarHBondContact O-N 3.48Å; G209-S212 PolarHBondContact O-OG 3.05Å; G209-S212 VanDerWaalsContact O-OG 3.12Å
210	F	57.2	Low	62.4	Low	150 Å²	150	122.6 Å²	122.6	66%	0.658	63%	0.63	S	S	*	*	H	α-helix	trans	-83	-26.4	-178.8	-76.5	-66.9	0	0	0	114.1	V206 Y207 S212	V206-F210 HydrophobicContact CG1-CD2 3.94Å; V206-F210 HydrophobicContact CG1-CE2 3.61Å; V206-F210 WeakPolarHBondContact O-CD2 3.15Å; V206-F210 PolarHBondContact O-N 3.16Å; Y207-F210 PolarHBondContact O-N 3.03Å; F210-S212 PolarHBondContact O-N 3.47Å
211	N	53.9	Low	61.7	Low	104 Å²	104	125.7 Å²	125.7	56%	0.556	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-4.1	-179.9	-88.3	-26.3	0	0	0	114.6	Y207 H213	Y207-N211 PolarHBondContact O-N 3.38Å; N211-H213 VanDerWaalsContact C-N 3.33Å
212	S	57.2	Low	61	Low	92 Å²	92	126.4 Å²	126.4	64%	0.643	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-9.4	177.2	63	0	0	0	0	114	G209 F210	G209-S212 PolarHBondContact O-OG 3.05Å; G209-S212 VanDerWaalsContact O-OG 3.12Å; F210-S212 PolarHBondContact O-N 3.47Å
213	H	52.8	Low	60.1	Low	173 Å²	173	129.9 Å²	129.9	80%	0.801	66%	0.656	S	S	*	*	S	Bend	trans	-114.2	10.9	-175.3	-107.1	-18.2	0	0	0	116.4	N211	N211-H213 VanDerWaalsContact C-N 3.33Å
214	L	56	Low	59.2	Low	158 Å²	158	134.1 Å²	134.1	83%	0.827	67%	0.67	S	S	*	*			trans	-118.6	37	174.9	-67.2	-177.3	0	0	0	113.8
215	R	48	Very low	58.4	Low	306 Å²	306	141.2 Å²	141.2	100%	1.155	69%	0.689	S	S	*	*			trans	-130	0	167.9	-161.9	174.3	-168.9	-111.1	0.7	112.3

Retrieved 215 of 215 residues in 174.9 ms (Link to these results)

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