A0A077Z7L8_TRITR Loading...

Spore coat protein T

AlphaFold DB , UniProt , Accession A0A077Z7L8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 98 aa.

						>A0A077Z7L8_TRITR|A0A077Z7L8
MEGDIESNYPPIPPEYIPGLNSPPLWRLPGMRPMEPWQTPKHQQYHKLYEERIFPPMFWNYAWVNWMPKTQGWWAGNRKLQLTTSMPYGSFYRPIPWY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	41.4	Very low	241 Å²	241	146.9 Å²	146.9	100%	1.187	79%	0.791	S	S	*	*				0	77.9	0	-71.3	179.1	177.7	0	0	105.7	G3	M1-G3 PolarHBondContact O-N 2.88Å
2	E	39.2	Very low	42.1	Very low	193 Å²	193	146.3 Å²	146.3	90%	0.902	79%	0.785	S	S	*	*			trans	-80.7	106.4	-178.7	-83.1	137.1	153.8	0	0	107.9
3	G	39	Very low	42.2	Very low	59 Å²	59	141 Å²	141	61%	0.608	76%	0.763	S	S	*	*			trans	-63.3	138.9	-179.1	0	0	0	0	0	111.6	M1 I5	M1-G3 PolarHBondContact O-N 2.88Å; G3-I5 WeakPolarHBondContact O-CG1 3.48Å; G3-I5 PolarHBondContact O-N 3.08Å
4	D	37.9	Very low	42.5	Very low	143 Å²	143	140.6 Å²	140.6	77%	0.765	77%	0.772	S	S	*	*			trans	-52.4	95.9	176.7	-63.5	-57	0	0	0	112.2	E6 S7	D4-E6 PolarHBondContact O-N 3.1Å; D4-S7 PolarHBondContact O-OG 2.73Å
5	I	48.1	Very low	42.7	Very low	146 Å²	146	141 Å²	141	75%	0.749	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-79.3	0.4	177.4	-28.8	172	0	0	0	111.4	G3 S7	G3-I5 WeakPolarHBondContact O-CG1 3.48Å; G3-I5 PolarHBondContact O-N 3.08Å; I5-S7 VanDerWaalsContact C-N 3.25Å; I5-S7 PolarHBondContact O-N 3.33Å
6	E	41.5	Very low	42.6	Very low	172 Å²	172	141.2 Å²	141.2	80%	0.804	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-78.5	-3.2	-177	-67.9	-169.4	156.7	0	0	114.1	D4	D4-E6 PolarHBondContact O-N 3.1Å
7	S	41.2	Very low	42.7	Very low	103 Å²	103	138.1 Å²	138.1	72%	0.72	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-96.4	3.1	-174.5	58.7	0	0	0	0	115.5	D4 I5	D4-S7 PolarHBondContact O-OG 2.73Å; I5-S7 VanDerWaalsContact C-N 3.25Å; I5-S7 PolarHBondContact O-N 3.33Å
8	N	38.3	Very low	42.8	Very low	144 Å²	144	134.7 Å²	134.7	77%	0.77	72%	0.723	S	S	*	*			trans	-108.3	15.9	-172	-119.7	-28.6	0	0	0	115.5
9	Y	40	Very low	42.7	Very low	192 Å²	192	128.8 Å²	128.8	75%	0.753	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-82.9	124	172.8	-69.1	-75.9	0	0	0	110.2
10	P	44.7	Very low	42.8	Very low	100 Å²	100	125 Å²	125	65%	0.649	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-57.8	147	172	25	-32.3	0	0	0	109.2	I12	P10-I12 PolarHBondContact O-N 2.93Å
11	P	46.8	Very low	42.8	Very low	123 Å²	123	121.1 Å²	121.1	80%	0.799	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-55.1	118.3	-178.1	22.8	-32.4	0	0	0	108.8	P13	P11-P13 WeakPolarHBondContact O-CD 2.94Å
12	I	50.1	Low	43	Very low	140 Å²	140	112.4 Å²	112.4	72%	0.718	62%	0.618	S	S	*	*			trans	-59.6	114.5	177.3	-60	167.7	0	0	0	105.9	P10	P10-I12 PolarHBondContact O-N 2.93Å
13	P	43.2	Very low	43.3	Very low	77 Å²	77	105.8 Å²	105.8	50%	0.5	59%	0.591	S	S	.	*			trans	-59.7	143.1	176.2	23.5	-30.9	0	0	0	108.3	P11 E15 Y16	P11-P13 WeakPolarHBondContact O-CD 2.94Å; P13-E15 PolarHBondContact O-N 2.82Å; P13-Y16 PolarHBondContact O-N 3.2Å
14	P	47.3	Very low	43.7	Very low	136 Å²	136	106.2 Å²	106.2	88%	0.883	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	18.7	-172.7	25.7	-33.8	0	0	0	115.2
15	E	44.8	Very low	44.1	Very low	146 Å²	146	103.6 Å²	103.6	68%	0.682	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	9.8	-170.2	-70.6	168.4	167.4	0	0	113.1	P13 I17 N21	P13-E15 PolarHBondContact O-N 2.82Å; E15-I17 VanDerWaalsContact C-N 3.34Å; E15-I17 PolarHBondContact O-N 3.5Å; E15-N21 PolarHBondContact O-ND2 3.28Å; E15-N21 VanDerWaalsContact O-ND2 3.12Å
16	Y	40.6	Very low	44	Very low	144 Å²	144	106.5 Å²	106.5	57%	0.565	57%	0.57	S	S	*	*			trans	-84.3	76.7	176.1	-141.2	-90.8	0	0	0	111.8	P13 P18 N21	P13-Y16 PolarHBondContact O-N 3.2Å; Y16-P18 WeakPolarHBondContact O-CD 3.13Å; Y16-N21 HydrophobicContact CE2-CB 4.2Å
17	I	44.9	Very low	44	Very low	88 Å²	88	108.4 Å²	108.4	45%	0.451	57%	0.57	S	S	.	*			trans	-82.3	116.6	167.8	-60.9	166.8	0	0	0	107.6	E15 G19 L20	E15-I17 VanDerWaalsContact C-N 3.34Å; E15-I17 PolarHBondContact O-N 3.5Å; I17-G19 PolarHBondContact O-N 3.11Å; I17-G19 VanDerWaalsContact O-N 3.12Å; I17-L20 HydrophobicContact CB-CB 4.01Å; I17-L20 HydrophobicContact CB-CD1 4.24Å; I17-L20 HydrophobicContact CD1-CD1 4.12Å; I17-L20 HydrophobicContact CG2-CB 4.29Å; I17-L20 HydrophobicContact CG2-CD1 3.91Å; I17-L20 PolarHBondContact O-N 3.26Å
18	P	44.1	Very low	44.2	Very low	78 Å²	78	108.3 Å²	108.3	51%	0.506	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.9	118.7	172.1	-18	30.5	0	0	0	108.5	Y16	Y16-P18 WeakPolarHBondContact O-CD 3.13Å
19	G	42.4	Very low	44.1	Very low	22 Å²	22	107.7 Å²	107.7	23%	0.227	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	94.4	15.5	-173.1	0	0	0	0	0	115.8	I17 W59	I17-G19 PolarHBondContact O-N 3.11Å; I17-G19 VanDerWaalsContact O-N 3.12Å; G19-W59 VanDerWaalsContact C-CH2 3.43Å; G19-W59 WeakPolarHBondContact O-CH2 3.35Å; G19-W59 WeakPolarHBondContact O-CZ2 3.39Å
20	L	43.5	Very low	44.3	Very low	53 Å²	53	102.7 Å²	102.7	28%	0.277	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123	-29.1	166.7	-118.2	113	0	0	0	113.1	I17 F54 F58	I17-L20 HydrophobicContact CB-CB 4.01Å; I17-L20 HydrophobicContact CB-CD1 4.24Å; I17-L20 HydrophobicContact CD1-CD1 4.12Å; I17-L20 HydrophobicContact CG2-CB 4.29Å; I17-L20 HydrophobicContact CG2-CD1 3.91Å; I17-L20 PolarHBondContact O-N 3.26Å; L20-F54 HydrophobicContact CD1-CZ 4.48Å; L20-F58 HydrophobicContact CD1-CE1 3.93Å; L20-F58 HydrophobicContact CD1-CZ 4.11Å; L20-F58 HydrophobicContact CG-CE1 4.34Å
21	N	43.5	Very low	44.2	Very low	44 Å²	44	104.2 Å²	104.2	24%	0.235	57%	0.572	C	S	.	*	S	Bend	trans	-101	4.8	-179.1	-78.6	-28.6	0	0	0	114.9	E15 Y16 P23 W66	E15-N21 PolarHBondContact O-ND2 3.28Å; E15-N21 VanDerWaalsContact O-ND2 3.12Å; Y16-N21 HydrophobicContact CE2-CB 4.2Å; N21-P23 VanDerWaalsContact O-CD 3.23Å; N21-P23 WeakPolarHBondContact O-CD 3.04Å; N21-W66 HydrophobicContact CB-CH2 4.33Å; N21-W66 WeakPolarHBondContact OD1-CZ2 3.22Å
22	S	42.5	Very low	44	Very low	58 Å²	58	109.3 Å²	109.3	41%	0.406	58%	0.575	S	S	.	*			trans	-95.4	102.9	173.3	44.4	0	0	0	0	108.9
23	P	45.2	Very low	43.7	Very low	53 Å²	53	108 Å²	108	34%	0.344	58%	0.576	S	S	.	*			trans	-56.8	147.3	169.4	23.7	-31.4	0	0	0	108.9	N21 L25 W63	N21-P23 VanDerWaalsContact O-CD 3.23Å; N21-P23 WeakPolarHBondContact O-CD 3.04Å; P23-L25 PolarHBondContact O-N 2.88Å; P23-W63 HydrophobicContact CB-CZ3 4.35Å
24	P	46.3	Very low	43.9	Very low	68 Å²	68	110.4 Å²	110.4	44%	0.442	58%	0.582	S	S	.	*			trans	-58	103.5	175.7	23.1	-31.1	0	0	0	108.5	W26	P24-W26 VanDerWaalsContact C-CD1 3.47Å; P24-W26 HydrophobicContact CB-CD2 4.06Å; P24-W26 HydrophobicContact CB-CG 4.18Å; P24-W26 HydrophobicContact CB-CZ2 4.05Å; P24-W26 PolarHBondContact O-N 3.33Å
25	L	46.7	Very low	44.2	Very low	89 Å²	89	112.1 Å²	112.1	47%	0.466	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.8	8.3	-178.2	-90.1	155.9	0	0	0	114.3	P23 M34	P23-L25 PolarHBondContact O-N 2.88Å; L25-M34 HydrophobicContact CD1-CB 4.36Å; L25-M34 HydrophobicContact CD2-CB 4.03Å; L25-M34 HydrophobicContact CD2-CG 4.13Å; L25-M34 HydrophobicContact CD2-SD 4.5Å
26	W	45.5	Very low	44.4	Very low	206 Å²	206	109.6 Å²	109.6	78%	0.78	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-5	-167.4	9.3	-49.1	0	0	0	113.6	P24	P24-W26 VanDerWaalsContact C-CD1 3.47Å; P24-W26 HydrophobicContact CB-CD2 4.06Å; P24-W26 HydrophobicContact CB-CG 4.18Å; P24-W26 HydrophobicContact CB-CZ2 4.05Å; P24-W26 PolarHBondContact O-N 3.33Å
27	R	43	Very low	44.8	Very low	213 Å²	213	109.8 Å²	109.8	80%	0.804	57%	0.574	S	S	*	*	S	Bend	trans	-148.6	21.9	-168.2	-69.2	-167	177	-163.8	-1.2	119.3
28	L	44.6	Very low	45	Very low	100 Å²	100	113.8 Å²	113.8	52%	0.524	59%	0.591	S	S	.	*			trans	-101.3	112.4	169.4	-74.1	167.5	0	0	0	110.8	G30 M31	L28-G30 PolarHBondContact O-N 3.48Å; L28-M31 HydrophobicContact CB-CB 4.42Å; L28-M31 HydrophobicContact CB-CG 4.3Å; L28-M31 HydrophobicContact CB-SD 4.23Å; L28-M31 HydrophobicContact CD1-CE 4.12Å; L28-M31 HydrophobicContact CD1-SD 3.57Å; L28-M31 VanDerWaalsContact CD1-SD 3.57Å; L28-M31 PolarHBondContact O-N 3.09Å
29	P	36	Very low	45.7	Very low	132 Å²	132	113.5 Å²	113.5	86%	0.857	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	119.3	174.6	25.3	-30	0	0	0	109
30	G	45.5	Very low	46.3	Very low	86 Å²	86	117.4 Å²	117.4	89%	0.887	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	105.8	-4.7	177.3	0	0	0	0	0	116.4	L28	L28-G30 PolarHBondContact O-N 3.48Å
31	M	41	Very low	46.9	Very low	132 Å²	132	122 Å²	122	65%	0.65	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-88.8	128.3	168.8	-79.6	-171.5	169.4	0	0	110.5	L28	L28-M31 HydrophobicContact CB-CB 4.42Å; L28-M31 HydrophobicContact CB-CG 4.3Å; L28-M31 HydrophobicContact CB-SD 4.23Å; L28-M31 HydrophobicContact CD1-CE 4.12Å; L28-M31 HydrophobicContact CD1-SD 3.57Å; L28-M31 VanDerWaalsContact CD1-SD 3.57Å; L28-M31 PolarHBondContact O-N 3.09Å
32	R	42.6	Very low	47.4	Very low	230 Å²	230	123.5 Å²	123.5	87%	0.868	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-62.8	139.2	168.9	-63.5	-177.4	-170.5	173.6	3.1	108.1	M34	R32-M34 PolarHBondContact O-N 3.21Å
33	P	43.9	Very low	47.8	Very low	114 Å²	114	127.8 Å²	127.8	74%	0.74	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-55.5	119.4	170.9	22.8	-30.2	0	0	0	107.5	E35	P33-E35 PolarHBondContact O-N 3.39Å
34	M	49.3	Very low	48.2	Very low	126 Å²	126	132 Å²	132	62%	0.621	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-55.8	129.1	167.2	-78.6	-176.4	164.6	0	0	106.6	L25 R32	L25-M34 HydrophobicContact CD1-CB 4.36Å; L25-M34 HydrophobicContact CD2-CB 4.03Å; L25-M34 HydrophobicContact CD2-CG 4.13Å; L25-M34 HydrophobicContact CD2-SD 4.5Å; R32-M34 PolarHBondContact O-N 3.21Å
35	E	51.8	Low	48.6	Very low	173 Å²	173	135.1 Å²	135.1	81%	0.808	67%	0.665	S	S	*	*			trans	-46	127.5	179.4	-70.6	-179.6	151.2	0	0	108.9	P33 W37	P33-E35 PolarHBondContact O-N 3.39Å; E35-W37 PolarHBondContact O-N 3.49Å; E35-W37 VanDerWaalsContact O-N 3.11Å
36	P	49	Very low	48.8	Very low	92 Å²	92	135.8 Å²	135.8	60%	0.597	67%	0.665	S	S	*	*			trans	-59.3	126.2	-175.6	23.7	-31.7	0	0	0	107.3	Q38	P36-Q38 VanDerWaalsContact C-N 3.32Å; P36-Q38 HydrophobicContact CG-CG 4.34Å; P36-Q38 WeakPolarHBondContact O-CG 3.48Å; P36-Q38 PolarHBondContact O-N 3.35Å
37	W	49.3	Very low	49.1	Very low	149 Å²	149	132.7 Å²	132.7	56%	0.564	66%	0.658	S	S	*	*			trans	-52.8	89.1	179.1	-54.4	86.7	0	0	0	110.9	E35 T39 H42	E35-W37 PolarHBondContact O-N 3.49Å; E35-W37 VanDerWaalsContact O-N 3.11Å; W37-T39 VanDerWaalsContact C-N 3.26Å; W37-T39 PolarHBondContact O-N 3.31Å; W37-T39 VanDerWaalsContact O-N 3.1Å; W37-H42 HydrophobicContact CB-CB 4.43Å
38	Q	49.5	Very low	49.5	Very low	172 Å²	172	127 Å²	127	80%	0.804	64%	0.642	S	S	*	*			trans	-85.1	32.8	-167.5	-61.6	-149.4	-30.6	0	0	114.3	P36	P36-Q38 VanDerWaalsContact C-N 3.32Å; P36-Q38 HydrophobicContact CG-CG 4.34Å; P36-Q38 WeakPolarHBondContact O-CG 3.48Å; P36-Q38 PolarHBondContact O-N 3.35Å
39	T	58.7	Low	49.7	Very low	72 Å²	72	125.9 Å²	125.9	44%	0.442	63%	0.632	S	S	.	*			trans	-95.1	133.7	171.5	53.3	0	0	0	0	110.4	W37 K41 H42	W37-T39 VanDerWaalsContact C-N 3.26Å; W37-T39 PolarHBondContact O-N 3.31Å; W37-T39 VanDerWaalsContact O-N 3.1Å; T39-K41 PolarHBondContact O-N 3.29Å; T39-K41 VanDerWaalsContact O-N 3.08Å; T39-H42 WeakPolarHBondContact O-CB 3.47Å; T39-H42 PolarHBondContact O-N 2.95Å; T39-H42 PolarHBondContact OG1-ND1 2.99Å
40	P	55.5	Low	50.4	Low	104 Å²	104	127.1 Å²	127.1	68%	0.675	63%	0.626	S	S	*	*	H	α-helix	trans	-54.4	-30.2	177.9	-26.6	32.7	0	0	0	113.8
41	K	54.9	Low	50.7	Low	150 Å²	150	130.2 Å²	130.2	65%	0.652	62%	0.617	S	S	*	*	H	α-helix	trans	-63.9	-37.2	173.9	-75.4	-171.7	-179.5	-178.1	0	112.5	T39 Q43 Q44 Y45	T39-K41 PolarHBondContact O-N 3.29Å; T39-K41 VanDerWaalsContact O-N 3.08Å; K41-Q43 PolarHBondContact O-N 3.01Å; K41-Q44 PolarHBondContact O-N 3.41Å; K41-Y45 HydrophobicContact CB-CE2 4.44Å; K41-Y45 WeakPolarHBondContact O-CD2 3.02Å; K41-Y45 PolarHBondContact O-N 3.04Å
42	H	54.1	Low	51	Low	74 Å²	74	133.7 Å²	133.7	34%	0.343	62%	0.623	S	S	.	*	H	α-helix	trans	-69.4	-32.7	-179.5	-89.2	77.5	0	0	0	113.1	W37 T39 Q44 Y45 H46	W37-H42 HydrophobicContact CB-CB 4.43Å; T39-H42 WeakPolarHBondContact O-CB 3.47Å; T39-H42 PolarHBondContact O-N 2.95Å; T39-H42 PolarHBondContact OG1-ND1 2.99Å; H42-Q44 VanDerWaalsContact C-N 3.32Å; H42-Q44 PolarHBondContact O-N 3.47Å; H42-Y45 PolarHBondContact O-N 2.78Å; H42-H46 WeakPolarHBondContact O-CB 3.37Å; H42-H46 PolarHBondContact O-N 3.01Å
43	Q	50.7	Low	51.5	Low	148 Å²	148	126.3 Å²	126.3	69%	0.692	60%	0.6	S	S	*	*	H	α-helix	trans	-64.5	-36.9	173.2	-73.2	-176.2	-8.4	0	0	112.2	K41 K47	K41-Q43 PolarHBondContact O-N 3.01Å; Q43-K47 WeakPolarHBondContact O-CB 3.48Å; Q43-K47 PolarHBondContact O-N 3.19Å; Q43-K47 VanDerWaalsContact O-N 3.09Å
44	Q	54.6	Low	51.6	Low	143 Å²	143	123.9 Å²	123.9	67%	0.668	58%	0.578	S	S	*	*	H	α-helix	trans	-65.6	-42	174.8	-72.8	-178.7	-17.2	0	0	111.8	K41 H42 L48	K41-Q44 PolarHBondContact O-N 3.41Å; H42-Q44 VanDerWaalsContact C-N 3.32Å; H42-Q44 PolarHBondContact O-N 3.47Å; Q44-L48 PolarHBondContact O-N 3.18Å
45	Y	54.3	Low	51.6	Low	132 Å²	132	121.6 Å²	121.6	52%	0.518	57%	0.573	S	S	.	*	H	α-helix	trans	-65.6	-47.6	175.6	-72	-65.8	0	0	0	111.5	K41 H42 K47 L48 Y49	K41-Y45 HydrophobicContact CB-CE2 4.44Å; K41-Y45 WeakPolarHBondContact O-CD2 3.02Å; K41-Y45 PolarHBondContact O-N 3.04Å; H42-Y45 PolarHBondContact O-N 2.78Å; Y45-K47 VanDerWaalsContact C-N 3.29Å; Y45-K47 PolarHBondContact O-N 2.99Å; Y45-L48 WeakPolarHBondContact O-CA 3.4Å; Y45-L48 WeakPolarHBondContact O-CB 3.23Å; Y45-L48 PolarHBondContact O-N 3.12Å; Y45-Y49 HydrophobicContact CD1-CE2 4.22Å; Y45-Y49 WeakPolarHBondContact O-CD2 3.17Å; Y45-Y49 PolarHBondContact O-N 2.78Å
46	H	51.2	Low	51.7	Low	103 Å²	103	118.8 Å²	118.8	48%	0.477	57%	0.57	S	S	.	*	H	α-helix	trans	-54.6	-44.5	177.7	-103.5	-83.9	0	0	0	112.7	H42 L48 Y49 E50	H42-H46 WeakPolarHBondContact O-CB 3.37Å; H42-H46 PolarHBondContact O-N 3.01Å; H46-L48 VanDerWaalsContact C-N 3.28Å; H46-L48 PolarHBondContact O-N 3.43Å; H46-Y49 PolarHBondContact O-N 2.7Å; H46-E50 PolarHBondContact O-N 3.12Å
47	K	52.1	Low	51.8	Low	142 Å²	142	120.3 Å²	120.3	62%	0.617	57%	0.57	S	S	*	*	H	α-helix	trans	-63.9	-35.5	178.2	-147.2	177.5	-173.2	-175.3	0	112.2	Q43 Y45	Q43-K47 WeakPolarHBondContact O-CB 3.48Å; Q43-K47 PolarHBondContact O-N 3.19Å; Q43-K47 VanDerWaalsContact O-N 3.09Å; Y45-K47 VanDerWaalsContact C-N 3.29Å; Y45-K47 PolarHBondContact O-N 2.99Å
48	L	51.5	Low	52.2	Low	92 Å²	92	116.5 Å²	116.5	48%	0.482	56%	0.558	S	S	.	*	H	α-helix	trans	-70.2	-35.1	175.9	-145.2	94	0	0	0	112.4	Q44 Y45 H46 R52	Q44-L48 PolarHBondContact O-N 3.18Å; Y45-L48 WeakPolarHBondContact O-CA 3.4Å; Y45-L48 WeakPolarHBondContact O-CB 3.23Å; Y45-L48 PolarHBondContact O-N 3.12Å; H46-L48 VanDerWaalsContact C-N 3.28Å; H46-L48 PolarHBondContact O-N 3.43Å; L48-R52 PolarHBondContact O-N 3.04Å
49	Y	48.2	Very low	52.4	Low	78 Å²	78	113.1 Å²	113.1	31%	0.306	54%	0.538	S	S	.	.	H	α-helix	trans	-81.7	-33.7	-176.1	-78.3	-70.7	0	0	0	113.5	Y45 H46 I53	Y45-Y49 HydrophobicContact CD1-CE2 4.22Å; Y45-Y49 WeakPolarHBondContact O-CD2 3.17Å; Y45-Y49 PolarHBondContact O-N 2.78Å; H46-Y49 PolarHBondContact O-N 2.7Å; Y49-I53 HydrophobicContact CD1-CB 4.48Å; Y49-I53 HydrophobicContact CD1-CD1 3.84Å; Y49-I53 HydrophobicContact CE1-CD1 3.85Å
50	E	51.4	Low	52.1	Low	157 Å²	157	114.7 Å²	114.7	73%	0.734	54%	0.543	S	S	*	.	H	α-helix	trans	-69.8	-34.4	175.7	-75.8	179	-177.6	0	0	112.7	H46	H46-E50 PolarHBondContact O-N 3.12Å
51	E	50.8	Low	51.9	Low	151 Å²	151	113.9 Å²	113.9	71%	0.706	53%	0.528	S	S	*	.	H	α-helix	trans	-90.7	-20.3	-174.2	-72.2	-176.2	177.9	0	0	114.8
52	R	47.6	Very low	52	Low	206 Å²	206	107.8 Å²	107.8	78%	0.777	51%	0.505	S	S	*	.	H	α-helix	trans	-124.3	-25.2	-165.1	-79.2	-174.4	172.2	-165.6	-2.8	118.8	L48	L48-R52 PolarHBondContact O-N 3.04Å
53	I	53.3	Low	52	Low	75 Å²	75	110 Å²	110	39%	0.385	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-26.4	-153.2	-51.7	-173.3	0	0	0	114.7	Y49	Y49-I53 HydrophobicContact CD1-CB 4.48Å; Y49-I53 HydrophobicContact CD1-CD1 3.84Å; Y49-I53 HydrophobicContact CE1-CD1 3.85Å
54	F	46	Very low	52.2	Low	63 Å²	63	104.5 Å²	104.5	28%	0.276	49%	0.487	S	S	.	.			trans	-139.9	115.9	-172.8	-65.9	-59.7	0	0	0	114.5	L20 F58	L20-F54 HydrophobicContact CD1-CZ 4.48Å; F54-F58 HydrophobicContact CB-CB 3.94Å; F54-F58 HydrophobicContact CB-CD1 4.08Å; F54-F58 HydrophobicContact CB-CG 4.19Å; F54-F58 HydrophobicContact CD1-CB 3.74Å; F54-F58 AromaticContact CD1-CD1 3.11Å; F54-F58 HydrophobicContact CD1-CD1 3.11Å; F54-F58 AromaticContact CD1-CD2 3.5Å; F54-F58 HydrophobicContact CD1-CD2 3.5Å; F54-F58 AromaticContact CD1-CE1 3.45Å; F54-F58 HydrophobicContact CD1-CE1 3.45Å; F54-F58 VanDerWaalsContact CD1-CE1 3.45Å; F54-F58 AromaticContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CD1-CE2 3.81Å; F54-F58 AromaticContact CD1-CG 3.14Å; F54-F58 HydrophobicContact CD1-CG 3.14Å; F54-F58 AromaticContact CD1-CZ 3.79Å; F54-F58 HydrophobicContact CD1-CZ 3.79Å; F54-F58 HydrophobicContact CD2-CD1 4.23Å; F54-F58 HydrophobicContact CD2-CE1 4.38Å; F54-F58 AromaticContact CE1-CD1 3.48Å; F54-F58 HydrophobicContact CE1-CD1 3.48Å; F54-F58 VanDerWaalsContact CE1-CD1 3.48Å; F54-F58 AromaticContact CE1-CD2 3.68Å; F54-F58 HydrophobicContact CE1-CD2 3.68Å; F54-F58 AromaticContact CE1-CE1 3.24Å; F54-F58 HydrophobicContact CE1-CE1 3.24Å; F54-F58 AromaticContact CE1-CE2 3.46Å; F54-F58 HydrophobicContact CE1-CE2 3.46Å; F54-F58 VanDerWaalsContact CE1-CE2 3.46Å; F54-F58 AromaticContact CE1-CG 3.7Å; F54-F58 HydrophobicContact CE1-CG 3.7Å; F54-F58 AromaticContact CE1-CZ 3.23Å; F54-F58 HydrophobicContact CE1-CZ 3.23Å; F54-F58 HydrophobicContact CE2-CD1 4.5Å; F54-F58 HydrophobicContact CE2-CE1 4.2Å; F54-F58 HydrophobicContact CG-CB 4.17Å; F54-F58 AromaticContact CG-CD1 3.53Å; F54-F58 HydrophobicContact CG-CD1 3.53Å; F54-F58 HydrophobicContact CG-CE1 4.03Å; F54-F58 AromaticContact CG-CG 3.86Å; F54-F58 HydrophobicContact CG-CG 3.86Å; F54-F58 HydrophobicContact CZ-CD1 4.16Å; F54-F58 AromaticContact CZ-CE1 3.64Å; F54-F58 HydrophobicContact CZ-CE1 3.64Å; F54-F58 HydrophobicContact CZ-CE2 4.43Å; F54-F58 AromaticContact CZ-CZ 3.8Å; F54-F58 HydrophobicContact CZ-CZ 3.8Å
55	P	50	Low	52.2	Low	77 Å²	77	103.6 Å²	103.6	50%	0.5	49%	0.487	S	S	.	.			trans	-55.7	148.4	163.6	-16.5	27.9	0	0	0	109.2	M57 F58	P55-M57 PolarHBondContact O-N 3.42Å; P55-F58 WeakPolarHBondContact O-CB 3.21Å; P55-F58 PolarHBondContact O-N 2.99Å
56	P	53.6	Low	52	Low	115 Å²	115	103.9 Å²	103.9	75%	0.747	49%	0.487	S	S	*	.	H	α-helix	trans	-54.4	-19.7	177.6	20	-32	0	0	0	113.5
57	M	51.6	Low	51.9	Low	124 Å²	124	103.5 Å²	103.5	61%	0.611	49%	0.487	S	S	*	.	H	α-helix	trans	-63.9	-37.9	171.1	-72.3	-170.4	-80.1	0	0	113.6	P55 W59 N60 Y61	P55-M57 PolarHBondContact O-N 3.42Å; M57-W59 VanDerWaalsContact C-N 3.29Å; M57-W59 PolarHBondContact O-N 2.87Å; M57-N60 WeakPolarHBondContact O-CA 3.34Å; M57-N60 WeakPolarHBondContact O-CB 3.46Å; M57-N60 PolarHBondContact O-N 2.8Å; M57-Y61 HydrophobicContact CB-CD2 4.27Å; M57-Y61 HydrophobicContact CB-CE2 4.19Å; M57-Y61 WeakPolarHBondContact O-CD2 2.78Å; M57-Y61 PolarHBondContact O-N 3.12Å
58	F	56.1	Low	51.5	Low	69 Å²	69	100.8 Å²	100.8	30%	0.303	48%	0.483	S	S	.	.	H	α-helix	trans	-58.9	-41.2	-175.2	-176.6	-94.5	0	0	0	112.1	L20 F54 P55 N60 Y61 A62	L20-F58 HydrophobicContact CD1-CE1 3.93Å; L20-F58 HydrophobicContact CD1-CZ 4.11Å; L20-F58 HydrophobicContact CG-CE1 4.34Å; F54-F58 HydrophobicContact CB-CB 3.94Å; F54-F58 HydrophobicContact CB-CD1 4.08Å; F54-F58 HydrophobicContact CB-CG 4.19Å; F54-F58 HydrophobicContact CD1-CB 3.74Å; F54-F58 AromaticContact CD1-CD1 3.11Å; F54-F58 HydrophobicContact CD1-CD1 3.11Å; F54-F58 AromaticContact CD1-CD2 3.5Å; F54-F58 HydrophobicContact CD1-CD2 3.5Å; F54-F58 AromaticContact CD1-CE1 3.45Å; F54-F58 HydrophobicContact CD1-CE1 3.45Å; F54-F58 VanDerWaalsContact CD1-CE1 3.45Å; F54-F58 AromaticContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CD1-CE2 3.81Å; F54-F58 AromaticContact CD1-CG 3.14Å; F54-F58 HydrophobicContact CD1-CG 3.14Å; F54-F58 AromaticContact CD1-CZ 3.79Å; F54-F58 HydrophobicContact CD1-CZ 3.79Å; F54-F58 HydrophobicContact CD2-CD1 4.23Å; F54-F58 HydrophobicContact CD2-CE1 4.38Å; F54-F58 AromaticContact CE1-CD1 3.48Å; F54-F58 HydrophobicContact CE1-CD1 3.48Å; F54-F58 VanDerWaalsContact CE1-CD1 3.48Å; F54-F58 AromaticContact CE1-CD2 3.68Å; F54-F58 HydrophobicContact CE1-CD2 3.68Å; F54-F58 AromaticContact CE1-CE1 3.24Å; F54-F58 HydrophobicContact CE1-CE1 3.24Å; F54-F58 AromaticContact CE1-CE2 3.46Å; F54-F58 HydrophobicContact CE1-CE2 3.46Å; F54-F58 VanDerWaalsContact CE1-CE2 3.46Å; F54-F58 AromaticContact CE1-CG 3.7Å; F54-F58 HydrophobicContact CE1-CG 3.7Å; F54-F58 AromaticContact CE1-CZ 3.23Å; F54-F58 HydrophobicContact CE1-CZ 3.23Å; F54-F58 HydrophobicContact CE2-CD1 4.5Å; F54-F58 HydrophobicContact CE2-CE1 4.2Å; F54-F58 HydrophobicContact CG-CB 4.17Å; F54-F58 AromaticContact CG-CD1 3.53Å; F54-F58 HydrophobicContact CG-CD1 3.53Å; F54-F58 HydrophobicContact CG-CE1 4.03Å; F54-F58 AromaticContact CG-CG 3.86Å; F54-F58 HydrophobicContact CG-CG 3.86Å; F54-F58 HydrophobicContact CZ-CD1 4.16Å; F54-F58 AromaticContact CZ-CE1 3.64Å; F54-F58 HydrophobicContact CZ-CE1 3.64Å; F54-F58 HydrophobicContact CZ-CE2 4.43Å; F54-F58 AromaticContact CZ-CZ 3.8Å; F54-F58 HydrophobicContact CZ-CZ 3.8Å; P55-F58 WeakPolarHBondContact O-CB 3.21Å; P55-F58 PolarHBondContact O-N 2.99Å; F58-N60 VanDerWaalsContact C-N 3.31Å; F58-N60 PolarHBondContact O-N 2.87Å; F58-Y61 PolarHBondContact O-N 3.05Å; F58-Y61 VanDerWaalsContact O-N 3.17Å; F58-A62 WeakPolarHBondContact O-CB 3.41Å; F58-A62 PolarHBondContact O-N 3.29Å
59	W	53.5	Low	51.4	Low	100 Å²	100	106 Å²	106	38%	0.379	50%	0.502	S	S	.	.	H	α-helix	trans	-63.1	-36.4	175.2	-72.7	106.9	0	0	0	113	G19 M57 W63	G19-W59 VanDerWaalsContact C-CH2 3.43Å; G19-W59 WeakPolarHBondContact O-CH2 3.35Å; G19-W59 WeakPolarHBondContact O-CZ2 3.39Å; M57-W59 VanDerWaalsContact C-N 3.29Å; M57-W59 PolarHBondContact O-N 2.87Å; W59-W63 WeakPolarHBondContact O-CB 3.4Å; W59-W63 PolarHBondContact O-N 3.17Å
60	N	53.6	Low	51.1	Low	106 Å²	106	107.5 Å²	107.5	57%	0.567	52%	0.519	S	S	*	.	H	α-helix	trans	-70.1	-33.7	175.8	-154.5	-0.9	0	0	0	111.6	M57 F58 V64	M57-N60 WeakPolarHBondContact O-CA 3.34Å; M57-N60 WeakPolarHBondContact O-CB 3.46Å; M57-N60 PolarHBondContact O-N 2.8Å; F58-N60 VanDerWaalsContact C-N 3.31Å; F58-N60 PolarHBondContact O-N 2.87Å; N60-V64 WeakPolarHBondContact O-CB 3.25Å; N60-V64 WeakPolarHBondContact O-CG2 3.15Å; N60-V64 PolarHBondContact O-N 3.48Å
61	Y	52	Low	50.5	Low	87 Å²	87	107.6 Å²	107.6	34%	0.341	52%	0.52	S	S	.	.	H	α-helix	trans	-73.8	-42.1	174.9	-79.5	-81.1	0	0	0	113	M57 F58 V64 N65 R78	M57-Y61 HydrophobicContact CB-CD2 4.27Å; M57-Y61 HydrophobicContact CB-CE2 4.19Å; M57-Y61 WeakPolarHBondContact O-CD2 2.78Å; M57-Y61 PolarHBondContact O-N 3.12Å; F58-Y61 PolarHBondContact O-N 3.05Å; F58-Y61 VanDerWaalsContact O-N 3.17Å; Y61-V64 PolarHBondContact O-N 3.33Å; Y61-N65 PolarHBondContact O-N 2.85Å; Y61-R78 VanDerWaalsContact CD1-NH2 3.31Å; Y61-R78 VanDerWaalsContact CE1-CZ 3.47Å
62	A	55.6	Low	49.9	Very low	22 Å²	22	104.1 Å²	104.1	18%	0.182	53%	0.525	C	S	.	.	H	α-helix	trans	-64.4	-43.5	177.8	0	0	0	0	0	111.5	F58 V64 N65 W66	F58-A62 WeakPolarHBondContact O-CB 3.41Å; F58-A62 PolarHBondContact O-N 3.29Å; A62-V64 PolarHBondContact O-N 3.4Å; A62-N65 PolarHBondContact O-N 3.23Å; A62-W66 VanDerWaalsContact O-CB 3.25Å; A62-W66 WeakPolarHBondContact O-CB 3.45Å; A62-W66 PolarHBondContact O-N 3.39Å
63	W	54.3	Low	49.5	Very low	121 Å²	121	105.7 Å²	105.7	46%	0.458	53%	0.531	S	S	.	.	H	α-helix	trans	-60.7	-46	176.6	-175.5	-103.7	0	0	0	112.7	P23 W59 N65 W66 M67	P23-W63 HydrophobicContact CB-CZ3 4.35Å; W59-W63 WeakPolarHBondContact O-CB 3.4Å; W59-W63 PolarHBondContact O-N 3.17Å; W63-N65 VanDerWaalsContact C-N 3.29Å; W63-N65 PolarHBondContact O-N 3.48Å; W63-W66 PolarHBondContact O-N 3.06Å; W63-M67 HydrophobicContact CZ2-CE 4.3Å; W63-M67 PolarHBondContact O-N 2.98Å; W63-M67 VanDerWaalsContact O-N 3.12Å
64	V	55.3	Low	48.9	Very low	31 Å²	31	108.6 Å²	108.6	19%	0.188	54%	0.537	C	S	.	.	H	α-helix	trans	-63.3	-34.4	177.7	163.6	0	0	0	0	112.1	N60 Y61 A62 W74	N60-V64 WeakPolarHBondContact O-CB 3.25Å; N60-V64 WeakPolarHBondContact O-CG2 3.15Å; N60-V64 PolarHBondContact O-N 3.48Å; Y61-V64 PolarHBondContact O-N 3.33Å; A62-V64 PolarHBondContact O-N 3.4Å; V64-W74 HydrophobicContact CB-CH2 4.2Å; V64-W74 HydrophobicContact CB-CZ3 4.3Å; V64-W74 HydrophobicContact CG1-CE3 4.34Å; V64-W74 HydrophobicContact CG1-CH2 3.63Å; V64-W74 HydrophobicContact CG1-CZ3 3.41Å; V64-W74 VanDerWaalsContact CG1-CZ3 3.41Å; V64-W74 HydrophobicContact CG2-CZ3 4.45Å; V64-W74 WeakPolarHBondContact O-CH2 3.22Å; V64-W74 VanDerWaalsContact O-CZ2 3.22Å; V64-W74 WeakPolarHBondContact O-CZ2 2.96Å
65	N	53.6	Low	48.6	Very low	125 Å²	125	110.9 Å²	110.9	67%	0.668	57%	0.568	S	S	*	*	H	α-helix	trans	-86	-24.7	179.7	-76.9	-11.1	0	0	0	113.8	Y61 A62 W63 R78	Y61-N65 PolarHBondContact O-N 2.85Å; A62-N65 PolarHBondContact O-N 3.23Å; W63-N65 VanDerWaalsContact C-N 3.29Å; W63-N65 PolarHBondContact O-N 3.48Å; N65-R78 PolarHBondContact OD1-NH1 3.1Å
66	W	51.7	Low	48.5	Very low	137 Å²	137	110.1 Å²	110.1	52%	0.519	57%	0.574	S	S	.	*	H	α-helix	trans	-86.9	-20.8	-179.1	-168.8	30.3	0	0	0	113.2	N21 A62 W63 P68	N21-W66 HydrophobicContact CB-CH2 4.33Å; N21-W66 WeakPolarHBondContact OD1-CZ2 3.22Å; A62-W66 VanDerWaalsContact O-CB 3.25Å; A62-W66 WeakPolarHBondContact O-CB 3.45Å; A62-W66 PolarHBondContact O-N 3.39Å; W63-W66 PolarHBondContact O-N 3.06Å; W66-P68 WeakPolarHBondContact O-CD 3.42Å; W66-P68 VanDerWaalsContact O-N 3.09Å
67	M	47.3	Very low	48.1	Very low	96 Å²	96	111.8 Å²	111.8	47%	0.473	58%	0.577	S	S	.	*	S	Bend	trans	-54.2	120.6	169.4	-99.2	-173.2	160.4	0	0	109.1	W63 K69 W74	W63-M67 HydrophobicContact CZ2-CE 4.3Å; W63-M67 PolarHBondContact O-N 2.98Å; W63-M67 VanDerWaalsContact O-N 3.12Å; M67-K69 PolarHBondContact O-N 3.34Å; M67-W74 HydrophobicContact CB-CH2 4.33Å; M67-W74 HydrophobicContact CB-CZ2 3.94Å
68	P	45.3	Very low	47.8	Very low	85 Å²	85	111.8 Å²	111.8	55%	0.552	57%	0.57	S	S	*	*			trans	-57.3	138.9	-178.2	22	-30.5	0	0	0	108.2	W66 T70	W66-P68 WeakPolarHBondContact O-CD 3.42Å; W66-P68 VanDerWaalsContact O-N 3.09Å; P68-T70 HydrophobicContact CB-CG2 3.77Å; P68-T70 VanDerWaalsContact CB-OG1 3.29Å; P68-T70 WeakPolarHBondContact CB-OG1 3.26Å; P68-T70 HydrophobicContact CG-CG2 4.48Å; P68-T70 VanDerWaalsContact CG-OG1 3.26Å; P68-T70 WeakPolarHBondContact CG-OG1 3.29Å; P68-T70 PolarHBondContact O-N 3.31Å; P68-T70 PolarHBondContact O-OG1 2.69Å
69	K	48.7	Very low	47.4	Very low	200 Å²	200	116.8 Å²	116.8	87%	0.87	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	22.5	172.7	-69	178.9	175	175.9	0	112.9	M67	M67-K69 PolarHBondContact O-N 3.34Å
70	T	42.1	Very low	47.1	Very low	110 Å²	110	118.7 Å²	118.7	68%	0.675	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	0.1	-166.6	46.6	0	0	0	0	113.9	P68	P68-T70 HydrophobicContact CB-CG2 3.77Å; P68-T70 VanDerWaalsContact CB-OG1 3.29Å; P68-T70 WeakPolarHBondContact CB-OG1 3.26Å; P68-T70 HydrophobicContact CG-CG2 4.48Å; P68-T70 VanDerWaalsContact CG-OG1 3.26Å; P68-T70 WeakPolarHBondContact CG-OG1 3.29Å; P68-T70 PolarHBondContact O-N 3.31Å; P68-T70 PolarHBondContact O-OG1 2.69Å
71	Q	39.1	Very low	46.3	Very low	159 Å²	159	121.6 Å²	121.6	74%	0.743	62%	0.619	S	S	*	*	S	Bend	trans	-142.6	110.9	166.1	-65.3	-175.4	-14.7	0	0	107.8	W73	Q71-W73 PolarHBondContact O-N 3.5Å
72	G	37.3	Very low	45.8	Very low	79 Å²	79	125.4 Å²	125.4	81%	0.814	64%	0.644	S	S	*	*			trans	-65.4	62.9	-171.8	0	0	0	0	0	115.7
73	W	38.7	Very low	45.1	Very low	239 Å²	239	129.9 Å²	129.9	91%	0.905	67%	0.669	S	S	*	*			trans	-124.9	35.3	-175.8	-85.3	64.9	0	0	0	113.1	Q71 A75	Q71-W73 PolarHBondContact O-N 3.5Å; W73-A75 PolarHBondContact O-N 2.97Å
74	W	42.5	Very low	44.7	Very low	135 Å²	135	129.7 Å²	129.7	51%	0.511	68%	0.682	S	S	.	*			trans	-88.9	76.6	167.9	-61.3	99	0	0	0	110.2	V64 M67 G76	V64-W74 HydrophobicContact CB-CH2 4.2Å; V64-W74 HydrophobicContact CB-CZ3 4.3Å; V64-W74 HydrophobicContact CG1-CE3 4.34Å; V64-W74 HydrophobicContact CG1-CH2 3.63Å; V64-W74 HydrophobicContact CG1-CZ3 3.41Å; V64-W74 VanDerWaalsContact CG1-CZ3 3.41Å; V64-W74 HydrophobicContact CG2-CZ3 4.45Å; V64-W74 WeakPolarHBondContact O-CH2 3.22Å; V64-W74 VanDerWaalsContact O-CZ2 3.22Å; V64-W74 WeakPolarHBondContact O-CZ2 2.96Å; M67-W74 HydrophobicContact CB-CH2 4.33Å; M67-W74 HydrophobicContact CB-CZ2 3.94Å; W74-G76 VanDerWaalsContact C-N 3.31Å; W74-G76 PolarHBondContact O-N 3.37Å
75	A	38.9	Very low	44.2	Very low	111 Å²	111	134 Å²	134	92%	0.917	71%	0.713	S	S	*	*			trans	-85.7	74	166.5	0	0	0	0	0	108.9	W73	W73-A75 PolarHBondContact O-N 2.97Å
76	G	47.7	Very low	43.5	Very low	62 Å²	62	134.2 Å²	134.2	64%	0.639	71%	0.712	S	S	*	*			trans	-159.9	113.7	-176.7	0	0	0	0	0	113.4	W74 R78	W74-G76 VanDerWaalsContact C-N 3.31Å; W74-G76 PolarHBondContact O-N 3.37Å; G76-R78 PolarHBondContact O-N 3.24Å; G76-R78 VanDerWaalsContact O-N 3.13Å
77	N	44.9	Very low	43.1	Very low	150 Å²	150	133 Å²	133	80%	0.802	72%	0.722	S	S	*	*			trans	-77.9	93.5	173.8	-142	-29.4	0	0	0	108.3	K79	N77-K79 PolarHBondContact O-N 3.17Å; N77-K79 VanDerWaalsContact O-N 3.15Å
78	R	46.2	Very low	42.8	Very low	123 Å²	123	139.8 Å²	139.8	46%	0.464	74%	0.744	S	S	.	*			trans	-80.5	88.3	171.9	-100.7	-174.6	175	177.7	0.5	109.5	Y61 N65 G76	Y61-R78 VanDerWaalsContact CD1-NH2 3.31Å; Y61-R78 VanDerWaalsContact CE1-CZ 3.47Å; N65-R78 PolarHBondContact OD1-NH1 3.1Å; G76-R78 PolarHBondContact O-N 3.24Å; G76-R78 VanDerWaalsContact O-N 3.13Å
79	K	46.6	Very low	42.4	Very low	174 Å²	174	138 Å²	138	76%	0.757	74%	0.741	S	S	*	*			trans	-97.4	108.9	160.2	-75.8	-174.3	177.1	-179	0	108.5	N77 Q81	N77-K79 PolarHBondContact O-N 3.17Å; N77-K79 VanDerWaalsContact O-N 3.15Å; K79-Q81 PolarHBondContact O-N 3.14Å
80	L	46.7	Very low	42	Very low	141 Å²	141	133.1 Å²	133.1	74%	0.738	73%	0.732	S	S	*	*			trans	-72.2	102.2	159.8	-83.5	162	0	0	0	106.8	L82	L80-L82 PolarHBondContact O-N 3.32Å
81	Q	37.1	Very low	42.1	Very low	167 Å²	167	136.1 Å²	136.1	78%	0.78	74%	0.736	S	S	*	*			trans	-81.5	101.7	170.9	-134.4	170.1	22	0	0	107.2	K79 T83	K79-Q81 PolarHBondContact O-N 3.14Å; Q81-T83 VanDerWaalsContact C-N 3.25Å; Q81-T83 PolarHBondContact O-N 2.73Å
82	L	41.4	Very low	42.2	Very low	167 Å²	167	138.2 Å²	138.2	87%	0.874	74%	0.738	S	S	*	*			trans	-71.3	87.2	166.7	-83.8	156.8	0	0	0	107.7	L80 T84	L80-L82 PolarHBondContact O-N 3.32Å; L82-T84 PolarHBondContact O-N 3.25Å
83	T	42.3	Very low	43	Very low	115 Å²	115	144.8 Å²	144.8	71%	0.706	74%	0.738	S	S	*	*			trans	-82.1	103.5	167.3	51.5	0	0	0	0	107.9	Q81 S85	Q81-T83 VanDerWaalsContact C-N 3.25Å; Q81-T83 PolarHBondContact O-N 2.73Å; T83-S85 PolarHBondContact O-N 2.94Å
84	T	44.9	Very low	43.4	Very low	118 Å²	118	138.8 Å²	138.8	72%	0.724	73%	0.73	S	S	*	*			trans	-65.9	115.5	169.7	53.5	0	0	0	0	108.4	L82 M86	L82-T84 PolarHBondContact O-N 3.25Å; T84-M86 PolarHBondContact O-N 3.13Å; T84-M86 VanDerWaalsContact O-N 3.1Å
85	S	44.5	Very low	44.2	Very low	121 Å²	121	138.4 Å²	138.4	85%	0.846	74%	0.737	S	S	*	*			trans	-74.6	14.2	171.2	63.3	0	0	0	0	113	T83	T83-S85 PolarHBondContact O-N 2.94Å
86	M	40.5	Very low	44.6	Very low	129 Å²	129	138.2 Å²	138.2	64%	0.635	73%	0.727	S	S	*	*			trans	-98.5	115.7	179.8	-70	-178.6	172	0	0	109	T84 Y88	T84-M86 PolarHBondContact O-N 3.13Å; T84-M86 VanDerWaalsContact O-N 3.1Å; M86-Y88 PolarHBondContact O-N 3.24Å; M86-Y88 VanDerWaalsContact O-N 3.17Å
87	P	42.2	Very low	45	Very low	113 Å²	113	146 Å²	146	73%	0.734	74%	0.737	S	S	*	*	S	Bend	trans	-67.5	115.7	168.6	29.4	-28.9	0	0	0	106.6	G89	P87-G89 VanDerWaalsContact C-N 3.34Å; P87-G89 PolarHBondContact O-N 3.15Å
88	Y	40.7	Very low	45.5	Very low	238 Å²	238	152.9 Å²	152.9	93%	0.933	75%	0.753	S	S	*	*	S	Bend	trans	46	49.1	158.9	-66.8	-90.8	0	0	0	115.9	M86 S90	M86-Y88 PolarHBondContact O-N 3.24Å; M86-Y88 VanDerWaalsContact O-N 3.17Å; Y88-S90 PolarHBondContact O-N 2.84Å
89	G	38.2	Very low	45.5	Very low	48 Å²	48	154.4 Å²	154.4	50%	0.495	77%	0.768	S	S	.	*			trans	-90.1	72.8	167.5	0	0	0	0	0	109.9	P87 F91	P87-G89 VanDerWaalsContact C-N 3.34Å; P87-G89 PolarHBondContact O-N 3.15Å; G89-F91 VanDerWaalsContact C-N 3.31Å; G89-F91 WeakPolarHBondContact O-CD2 3.46Å; G89-F91 PolarHBondContact O-N 3.3Å
90	S	39.5	Very low	45.4	Very low	96 Å²	96	153.3 Å²	153.3	67%	0.671	77%	0.769	S	S	*	*			trans	-62.8	93.1	174.9	-154.9	0	0	0	0	108.6	Y88 Y92	Y88-S90 PolarHBondContact O-N 2.84Å; S90-Y92 PolarHBondContact O-N 2.82Å; S90-Y92 WeakPolarHBondContact OG-CD2 3.32Å
91	F	44.2	Very low	45.4	Very low	173 Å²	173	154 Å²	154	76%	0.759	77%	0.77	S	S	*	*			trans	-72.5	71.6	169.9	-80.4	-82.6	0	0	0	108.6	G89 R93	G89-F91 VanDerWaalsContact C-N 3.31Å; G89-F91 WeakPolarHBondContact O-CD2 3.46Å; G89-F91 PolarHBondContact O-N 3.3Å; F91-R93 PolarHBondContact O-N 3.18Å
92	Y	42.3	Very low	45.9	Very low	203 Å²	203	153.2 Å²	153.2	80%	0.796	77%	0.77	S	S	*	*			trans	-63.6	89.4	152.4	-93.9	-91.3	0	0	0	106.6	S90 P94	S90-Y92 PolarHBondContact O-N 2.82Å; S90-Y92 WeakPolarHBondContact OG-CD2 3.32Å; Y92-P94 WeakPolarHBondContact O-CD 3.21Å
93	R	52.5	Low	46.1	Very low	217 Å²	217	152.4 Å²	152.4	82%	0.819	76%	0.763	S	S	*	*			trans	-81.8	107.3	155.6	-86.7	-170.3	170.3	-163.7	-2	106.6	F91 I95	F91-R93 PolarHBondContact O-N 3.18Å; R93-I95 PolarHBondContact O-N 3Å
94	P	48.1	Very low	46.4	Very low	113 Å²	113	154.9 Å²	154.9	73%	0.734	77%	0.767	S	S	*	*			trans	-64.7	127	167.5	28.6	-31.7	0	0	0	107.4	Y92 P96	Y92-P94 WeakPolarHBondContact O-CD 3.21Å; P94-P96 WeakPolarHBondContact O-CD 3.48Å
95	I	58.1	Low	46.5	Very low	127 Å²	127	157.5 Å²	157.5	65%	0.651	77%	0.77	S	S	*	*			trans	-66.5	117.9	167.9	-60.1	168	0	0	0	105.9	R93 W97	R93-I95 PolarHBondContact O-N 3Å; I95-W97 PolarHBondContact O-N 3.3Å; I95-W97 VanDerWaalsContact O-N 3.14Å
96	P	47.5	Very low	46.7	Very low	108 Å²	108	160.3 Å²	160.3	70%	0.701	76%	0.764	S	S	*	*			trans	-73.7	107	172.1	29.5	-28.6	0	0	0	107.6	P94	P94-P96 WeakPolarHBondContact O-CD 3.48Å
97	W	56.2	Low	47.2	Very low	226 Å²	226	162.9 Å²	162.9	86%	0.856	78%	0.775	S	S	*	*			trans	-85.9	115.2	160.1	-68.3	90.6	0	0	0	106.6	I95	I95-W97 PolarHBondContact O-N 3.3Å; I95-W97 VanDerWaalsContact O-N 3.14Å
98	Y	56.6	Low	47.6	Very low	293 Å²	293	167.5 Å²	167.5	100%	1.149	78%	0.779	S	S	*	*			trans	-64.9	0	164.7	-80.9	-85.4	0	0	0	110.7

Retrieved 98 of 98 residues in 140.9 ms (Link to these results)

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