A0A077ZKS3_TRITR Loading...

DUF7041 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZKS3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 146 aa.

						>A0A077ZKS3_TRITR|A0A077ZKS3
MVKKGNCPAPSTVPAAGPGTPQPSVPTPLAAPTFLHTDPELWFARLDLFFRHRHVHDEETVFELALSAMTEGTLGTLRNFILTADQQTAPFTALKAVCLDRLTDDRAHQIRQPITDEELAGQPPSVFRGGDLSRQVHLDPSGLGPT
					

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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	46.5	Very low	53.8	Low	242 Å²	242	140.6 Å²	140.6	100%	1.192	82%	0.823	S	S	*	*				0	122.5	0	-73.6	-176.4	166.3	0	0	109.1
2	V	51.7	Low	53.7	Low	135 Å²	135	139.7 Å²	139.7	82%	0.818	82%	0.82	S	S	*	*			trans	42.1	101.9	149	-177	0	0	0	0	119.5
3	K	47.9	Very low	54.6	Low	203 Å²	203	138.1 Å²	138.1	88%	0.883	81%	0.812	S	S	*	*				45.2	106.1	115.7	-173.7	174.6	165.1	176.5	0	118.6
4	K	62.1	Low	55.1	Low	215 Å²	215	137.1 Å²	137.1	94%	0.935	81%	0.812	S	S	*	*			trans	-163.9	130.9	156	-154.8	169.5	-174.6	176.4	0	107.6
5	G	48.5	Very low	55.2	Low	66 Å²	66	134.7 Å²	134.7	68%	0.68	81%	0.813	S	S	*	*			cis	-160.5	142.1	-4.2	0	0	0	0	0	106
6	N	57.4	Low	55.2	Low	145 Å²	145	132.1 Å²	132.1	78%	0.775	81%	0.811	S	S	*	*			trans	-86.6	112.4	177.2	-178.9	53.1	0	0	0	107.9	P8	N6-P8 VanDerWaalsContact C-CD 3.5Å; N6-P8 WeakPolarHBondContact ND2-CD 3.46Å; N6-P8 WeakPolarHBondContact O-CD 3.45Å
7	C	52.4	Low	55	Low	130 Å²	130	128.2 Å²	128.2	88%	0.878	80%	0.804	S	S	*	*			trans	-114.5	89.2	167.8	-73.8	0	0	0	0	109.2
8	P	54.5	Low	55.6	Low	93 Å²	93	128.1 Å²	128.1	60%	0.604	80%	0.804	S	S	*	*			trans	-96.1	114.9	165	32.5	-25	0	0	0	109.2	N6	N6-P8 VanDerWaalsContact C-CD 3.5Å; N6-P8 WeakPolarHBondContact ND2-CD 3.46Å; N6-P8 WeakPolarHBondContact O-CD 3.45Å
9	A	56.4	Low	55.7	Low	91 Å²	91	124.9 Å²	124.9	75%	0.752	80%	0.799	S	S	*	*			trans	-146	85.3	159.2	0	0	0	0	0	108.6	S11	A9-S11 PolarHBondContact O-N 3.21Å
10	P	62	Low	55.9	Low	114 Å²	114	125.2 Å²	125.2	74%	0.74	80%	0.799	S	S	*	*			trans	-69.2	111.4	161.7	28	-29	0	0	0	107.6	T12	P10-T12 VanDerWaalsContact C-N 3.31Å; P10-T12 PolarHBondContact O-N 2.99Å
11	S	52.8	Low	56	Low	113 Å²	113	125 Å²	125	79%	0.79	80%	0.798	S	S	*	*			trans	-63.3	94.4	165.5	-79.3	0	0	0	0	108.4	A9 V13	A9-S11 PolarHBondContact O-N 3.21Å; S11-V13 VanDerWaalsContact C-N 3.29Å; S11-V13 PolarHBondContact O-N 2.93Å
12	T	51.6	Low	56.8	Low	129 Å²	129	120.4 Å²	120.4	79%	0.791	77%	0.774	S	S	*	*			trans	-70.8	92.4	165.9	-65.6	0	0	0	0	107.4	P10	P10-T12 VanDerWaalsContact C-N 3.31Å; P10-T12 PolarHBondContact O-N 2.99Å
13	V	65.5	Low	57.1	Low	119 Å²	119	119 Å²	119	72%	0.721	77%	0.768	S	S	*	*			trans	-62.7	131	166.6	-90	0	0	0	0	109	S11 A15	S11-V13 VanDerWaalsContact C-N 3.29Å; S11-V13 PolarHBondContact O-N 2.93Å; V13-A15 PolarHBondContact O-N 3.26Å; V13-A15 VanDerWaalsContact O-N 3.12Å
14	P	62.6	Low	57.6	Low	124 Å²	124	113.9 Å²	113.9	81%	0.805	76%	0.757	S	S	*	*			trans	-63.1	115.9	175.1	-16.7	29.4	0	0	0	109.2	A16	P14-A16 PolarHBondContact O-N 3.12Å
15	A	55.6	Low	57.4	Low	101 Å²	101	109 Å²	109	84%	0.835	75%	0.745	S	S	*	*			trans	-59.5	123.3	176.1	0	0	0	0	0	109.8	V13 G17	V13-A15 PolarHBondContact O-N 3.26Å; V13-A15 VanDerWaalsContact O-N 3.12Å; A15-G17 PolarHBondContact O-N 3.12Å
16	A	56	Low	57.7	Low	93 Å²	93	112 Å²	112	77%	0.769	75%	0.753	S	S	*	*			trans	-29.9	117	170	0	0	0	0	0	113.3	P14 P18	P14-A16 PolarHBondContact O-N 3.12Å; A16-P18 WeakPolarHBondContact O-CD 3.45Å
17	G	52.1	Low	57.6	Low	67 Å²	67	108.6 Å²	108.6	69%	0.691	74%	0.738	S	S	*	*			trans	-62.8	125.7	158.5	0	0	0	0	0	108.5	A15 G19	A15-G17 PolarHBondContact O-N 3.12Å; G17-G19 VanDerWaalsContact C-N 3.3Å; G17-G19 PolarHBondContact O-N 2.78Å
18	P	65.4	Low	57.8	Low	125 Å²	125	108.3 Å²	108.3	81%	0.812	73%	0.734	S	S	*	*			trans	-71.3	89.6	173.8	27.7	-31.2	0	0	0	108.4	A16 T20	A16-P18 WeakPolarHBondContact O-CD 3.45Å; P18-T20 PolarHBondContact O-N 3.29Å; P18-T20 VanDerWaalsContact O-N 3.12Å
19	G	57.4	Low	58.3	Low	69 Å²	69	108.8 Å²	108.8	71%	0.711	73%	0.731	S	S	*	*			trans	-59	114	159.1	0	0	0	0	0	107	G17	G17-G19 VanDerWaalsContact C-N 3.3Å; G17-G19 PolarHBondContact O-N 2.78Å
20	T	58.7	Low	59.3	Low	129 Å²	129	108.5 Å²	108.5	79%	0.791	73%	0.728	S	S	*	*			trans	-48.7	125.2	176.4	36.3	0	0	0	0	109.3	P18 Q22	P18-T20 PolarHBondContact O-N 3.29Å; P18-T20 VanDerWaalsContact O-N 3.12Å; T20-Q22 PolarHBondContact O-N 3.06Å
21	P	59.9	Low	60.3	Low	122 Å²	122	103.9 Å²	103.9	79%	0.792	70%	0.7	S	S	*	*			trans	-58.1	114	172.3	-18.7	29.6	0	0	0	107	P23	P21-P23 WeakPolarHBondContact O-CD 3.3Å; P21-P23 VanDerWaalsContact O-N 3.14Å
22	Q	62.5	Low	61.9	Low	146 Å²	146	98.9 Å²	98.9	68%	0.682	67%	0.665	S	S	*	*			trans	-52.4	125.1	172.6	-177.6	-123.1	-66.6	0	0	107	T20 S24	T20-Q22 PolarHBondContact O-N 3.06Å; Q22-S24 VanDerWaalsContact C-N 3.31Å; Q22-S24 PolarHBondContact O-N 2.78Å
23	P	57.6	Low	63.8	Low	105 Å²	105	98 Å²	98	68%	0.682	66%	0.659	S	S	*	*			trans	-63.4	99.6	177.7	24.2	-32	0	0	0	107.4	P21 V25	P21-P23 WeakPolarHBondContact O-CD 3.3Å; P21-P23 VanDerWaalsContact O-N 3.14Å; P23-V25 PolarHBondContact O-N 2.96Å
24	S	59.2	Low	65.1	Low	95 Å²	95	93.3 Å²	93.3	66%	0.664	63%	0.629	S	S	*	*			trans	-76	88.9	163.8	-63.8	0	0	0	0	104.6	Q22 P26	Q22-S24 VanDerWaalsContact C-N 3.31Å; Q22-S24 PolarHBondContact O-N 2.78Å; S24-P26 WeakPolarHBondContact O-CD 3.21Å; S24-P26 VanDerWaalsContact O-N 3.09Å
25	V	57.6	Low	66.4	Low	112 Å²	112	90.8 Å²	90.8	68%	0.679	61%	0.609	S	S	*	*			trans	-51.6	117.9	167.7	-87.9	0	0	0	0	106.8	P23 T27	P23-V25 PolarHBondContact O-N 2.96Å; V25-T27 PolarHBondContact O-N 2.89Å
26	P	54.5	Low	67.8	Low	129 Å²	129	90.1 Å²	90.1	84%	0.838	59%	0.588	S	S	*	*			trans	-75	73.2	175.1	30	-30.5	0	0	0	107	S24 P28	S24-P26 WeakPolarHBondContact O-CD 3.21Å; S24-P26 VanDerWaalsContact O-N 3.09Å; P26-P28 VanDerWaalsContact O-CD 3.3Å; P26-P28 WeakPolarHBondContact O-CD 3.47Å
27	T	54.7	Low	69.3	Low	75 Å²	75	90.5 Å²	90.5	46%	0.46	58%	0.581	S	S	.	*			trans	-66.2	123.7	167.8	-51.1	0	0	0	0	105.6	V25 L29 R53	V25-T27 PolarHBondContact O-N 2.89Å; T27-L29 HydrophobicContact CG2-CD2 4.1Å; T27-L29 HydrophobicContact CG2-CG 4.2Å; T27-L29 PolarHBondContact O-N 2.77Å; T27-R53 PolarHBondContact O-NH2 3.01Å; T27-R53 VanDerWaalsContact O-NH2 3.12Å
28	P	57.8	Low	71.1	Confident	124 Å²	124	90.3 Å²	90.3	81%	0.805	56%	0.564	S	S	*	*			trans	-66.2	78	169.5	26.8	-31.2	0	0	0	107.9	P26 A30	P26-P28 VanDerWaalsContact O-CD 3.3Å; P26-P28 WeakPolarHBondContact O-CD 3.47Å; P28-A30 PolarHBondContact O-N 2.98Å; P28-A30 VanDerWaalsContact O-N 3.17Å
29	L	63.9	Low	72.3	Confident	102 Å²	102	84.9 Å²	84.9	53%	0.534	53%	0.529	S	S	.	.			trans	-72.8	109.7	173.1	-56.3	153.2	0	0	0	105.7	T27 F49 R53	T27-L29 HydrophobicContact CG2-CD2 4.1Å; T27-L29 HydrophobicContact CG2-CG 4.2Å; T27-L29 PolarHBondContact O-N 2.77Å; L29-F49 HydrophobicContact CB-CE2 3.77Å; L29-F49 VanDerWaalsContact O-CZ 3.27Å; L29-F49 WeakPolarHBondContact O-CZ 3.42Å; L29-R53 PolarHBondContact O-NH1 3.33Å; L29-R53 PolarHBondContact O-NH2 3.47Å
30	A	77.6	Confident	73.9	Confident	85 Å²	85	87.4 Å²	87.4	70%	0.702	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-60.7	159.4	161.6	0	0	0	0	0	109.5	P28 F49	P28-A30 PolarHBondContact O-N 2.98Å; P28-A30 VanDerWaalsContact O-N 3.17Å; A30-F49 VanDerWaalsContact O-CE2 3.3Å; A30-F49 WeakPolarHBondContact O-CE2 3.35Å; A30-F49 WeakPolarHBondContact O-CZ 3.27Å
31	A	83.7	Confident	75.5	Confident	18 Å²	18	85.9 Å²	85.9	15%	0.149	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-55	142.7	172.7	0	0	0	0	0	110.2	T33 L46 F49 A68	A31-T33 PolarHBondContact O-N 3.33Å; A31-L46 HydrophobicContact CB-CD2 4.28Å; A31-F49 HydrophobicContact CB-CE1 4.2Å; A31-F49 HydrophobicContact CB-CZ 4.48Å; A31-A68 HydrophobicContact CB-CB 3.82Å
32	P	87.1	Confident	77.2	Confident	8 Å²	8	80.2 Å²	80.2	5%	0.052	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-50.1	131	175.6	-28.1	33.2	0	0	0	112.4	F34 W42 R45 L46 F49 A68	P32-F34 PolarHBondContact O-N 3.32Å; P32-W42 PolarHBondContact O-NE1 3.17Å; P32-R45 HydrophobicContact CB-CG 4.16Å; P32-R45 HydrophobicContact CG-CG 3.84Å; P32-L46 HydrophobicContact CG-CD2 4.29Å; P32-F49 HydrophobicContact CG-CB 4.26Å; P32-F49 HydrophobicContact CG-CD2 4.41Å; P32-F49 HydrophobicContact CG-CG 4.35Å; P32-A68 WeakPolarHBondContact O-CB 3.36Å
33	T	90.6	Very high	78.7	Confident	109 Å²	109	73.3 Å²	73.3	67%	0.669	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-54.5	136.1	173.2	53.7	0	0	0	0	111.3	A31 W42	A31-T33 PolarHBondContact O-N 3.33Å; T33-W42 PolarHBondContact O-NE1 2.87Å
34	F	91.7	Very high	80.5	Confident	22 Å²	22	70.6 Å²	70.6	10%	0.096	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-57.4	136	179.4	-178.2	-104	0	0	0	113.4	P32 H36 W42 A68 M69 T73 L102	P32-F34 PolarHBondContact O-N 3.32Å; F34-H36 HydrophobicContact CD1-CB 4.44Å; F34-H36 HydrophobicContact CE1-CB 3.87Å; F34-H36 AromaticContact CE1-ND1 3.91Å; F34-W42 HydrophobicContact CB-CZ2 4.22Å; F34-W42 AromaticContact CD2-CD2 3.59Å; F34-W42 HydrophobicContact CD2-CD2 3.59Å; F34-W42 AromaticContact CD2-CE2 3.75Å; F34-W42 AromaticContact CD2-CE3 3.58Å; F34-W42 HydrophobicContact CD2-CE3 3.58Å; F34-W42 HydrophobicContact CD2-CG 4.2Å; F34-W42 AromaticContact CD2-CH2 3.83Å; F34-W42 HydrophobicContact CD2-CH2 3.83Å; F34-W42 AromaticContact CD2-CZ2 3.85Å; F34-W42 HydrophobicContact CD2-CZ2 3.85Å; F34-W42 AromaticContact CD2-CZ3 3.72Å; F34-W42 HydrophobicContact CD2-CZ3 3.72Å; F34-W42 HydrophobicContact CE2-CD2 4.16Å; F34-W42 AromaticContact CE2-CE3 3.79Å; F34-W42 HydrophobicContact CE2-CE3 3.79Å; F34-W42 AromaticContact CE2-CZ3 3.99Å; F34-W42 HydrophobicContact CE2-CZ3 3.99Å; F34-A68 VanDerWaalsContact CB-O 3.25Å; F34-A68 WeakPolarHBondContact CB-O 3.49Å; F34-A68 PolarHBondContact N-O 2.93Å; F34-M69 HydrophobicContact CB-CG 4.33Å; F34-M69 HydrophobicContact CD2-CG 3.97Å; F34-M69 HydrophobicContact CG-CG 4.18Å; F34-T73 HydrophobicContact CD1-CG2 4.12Å; F34-T73 WeakPolarHBondContact CD1-OG1 3.39Å; F34-T73 HydrophobicContact CE1-CG2 3.54Å; F34-T73 VanDerWaalsContact CE1-OG1 3.22Å; F34-T73 WeakPolarHBondContact CE1-OG1 3.45Å; F34-T73 HydrophobicContact CE2-CG2 4.21Å; F34-T73 HydrophobicContact CZ-CG2 3.61Å; F34-L102 HydrophobicContact CE2-CD1 4.37Å; F34-L102 HydrophobicContact CZ-CD1 3.68Å
35	L	90.7	Very high	82.1	Confident	71 Å²	71	72.9 Å²	72.9	37%	0.372	42%	0.42	S	S	.	.			trans	-114.2	96.6	-179.3	-172.4	69.1	0	0	0	110.2	T37 D38 L41 W42	L35-T37 VanDerWaalsContact C-N 3.29Å; L35-T37 PolarHBondContact O-N 2.68Å; L35-D38 HydrophobicContact CD2-CB 3.98Å; L35-D38 CarbonylContact O-C 3.47Å; L35-D38 VanDerWaalsContact O-C 3.3Å; L35-D38 PolarHBondContact O-N 2.81Å; L35-L41 HydrophobicContact CD2-CD2 4.12Å; L35-W42 HydrophobicContact CB-CB 4.02Å
36	H	85.7	Confident	83.8	Confident	87 Å²	87	67.6 Å²	67.6	40%	0.403	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.3	-178.5	-167.8	85.8	0	0	0	113	F34 D38	F34-H36 HydrophobicContact CD1-CB 4.44Å; F34-H36 HydrophobicContact CE1-CB 3.87Å; F34-H36 AromaticContact CE1-ND1 3.91Å; H36-D38 PolarHBondContact O-N 3.12Å
37	T	87.4	Confident	85.6	Confident	100 Å²	100	64 Å²	64	61%	0.613	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.5	179.2	-45.3	0	0	0	0	113.2	L35 R106	L35-T37 VanDerWaalsContact C-N 3.29Å; L35-T37 PolarHBondContact O-N 2.68Å; T37-R106 PolarHBondContact O-NH1 3.26Å
38	D	89	Confident	87.3	Confident	63 Å²	63	64.7 Å²	64.7	34%	0.337	36%	0.362	S	S	.	.			trans	-153.9	82.1	-178.9	-168.2	-11.2	0	0	0	109.9	L35 H36 E40 L41 W42	L35-D38 HydrophobicContact CD2-CB 3.98Å; L35-D38 CarbonylContact O-C 3.47Å; L35-D38 VanDerWaalsContact O-C 3.3Å; L35-D38 PolarHBondContact O-N 2.81Å; H36-D38 PolarHBondContact O-N 3.12Å; D38-E40 VanDerWaalsContact C-N 3.28Å; D38-E40 PolarHBondContact O-N 3.26Å; D38-L41 HydrophobicContact CB-CB 4.01Å; D38-L41 PolarHBondContact O-N 2.9Å; D38-L41 PolarHBondContact OD1-N 3.42Å; D38-L41 VanDerWaalsContact OD1-N 3.16Å; D38-L41 WeakPolarHBondContact OD2-CB 3.48Å; D38-W42 PolarHBondContact O-N 3.36Å
39	P	90.1	Very high	88.9	Confident	11 Å²	11	60.2 Å²	60.2	7%	0.071	33%	0.329	C	S	.	.	H	α-helix	trans	-66.6	-31.5	-177	26.7	-33.9	0	0	0	112	W42 F43 L99 L102	P39-W42 PolarHBondContact O-N 2.84Å; P39-F43 WeakPolarHBondContact O-CD2 3.39Å; P39-F43 PolarHBondContact O-N 3.43Å; P39-L99 HydrophobicContact CB-CD2 4.18Å; P39-L99 HydrophobicContact CG-CD2 4.18Å; P39-L102 HydrophobicContact CB-CD1 4.15Å; P39-L102 HydrophobicContact CG-CB 4.38Å
40	E	91.8	Very high	90.2	Very high	123 Å²	123	55.6 Å²	55.6	58%	0.575	31%	0.305	S	S	*	.	H	α-helix	trans	-61.4	-47.6	176.2	-70.4	-174.8	-154.6	0	0	111.3	D38 W42 F43 A44 L99	D38-E40 VanDerWaalsContact C-N 3.28Å; D38-E40 PolarHBondContact O-N 3.26Å; E40-W42 VanDerWaalsContact C-N 3.28Å; E40-W42 PolarHBondContact O-N 3.19Å; E40-F43 PolarHBondContact O-N 2.95Å; E40-A44 PolarHBondContact O-N 3.44Å; E40-L99 HydrophobicContact CB-CD2 4.33Å; E40-L99 HydrophobicContact CG-CD1 4.35Å; E40-L99 HydrophobicContact CG-CD2 3.44Å; E40-L99 VanDerWaalsContact CG-CD2 3.44Å
41	L	92.8	Very high	90.8	Very high	96 Å²	96	59.2 Å²	59.2	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-61.6	-38.5	176	179.9	61.4	0	0	0	111.9	L35 D38 A44 R45	L35-L41 HydrophobicContact CD2-CD2 4.12Å; D38-L41 HydrophobicContact CB-CB 4.01Å; D38-L41 PolarHBondContact O-N 2.9Å; D38-L41 PolarHBondContact OD1-N 3.42Å; D38-L41 VanDerWaalsContact OD1-N 3.16Å; D38-L41 WeakPolarHBondContact OD2-CB 3.48Å; L41-A44 PolarHBondContact O-N 3.3Å; L41-R45 PolarHBondContact O-N 3.02Å
42	W	94.7	Very high	91	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.015	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-45.1	176.1	179.4	73.9	0	0	0	112.3	P32 T33 F34 L35 D38 P39 E40 A44 R45 L46 A65 A68 M69	P32-W42 PolarHBondContact O-NE1 3.17Å; T33-W42 PolarHBondContact O-NE1 2.87Å; F34-W42 HydrophobicContact CB-CZ2 4.22Å; F34-W42 AromaticContact CD2-CD2 3.59Å; F34-W42 HydrophobicContact CD2-CD2 3.59Å; F34-W42 AromaticContact CD2-CE2 3.75Å; F34-W42 AromaticContact CD2-CE3 3.58Å; F34-W42 HydrophobicContact CD2-CE3 3.58Å; F34-W42 HydrophobicContact CD2-CG 4.2Å; F34-W42 AromaticContact CD2-CH2 3.83Å; F34-W42 HydrophobicContact CD2-CH2 3.83Å; F34-W42 AromaticContact CD2-CZ2 3.85Å; F34-W42 HydrophobicContact CD2-CZ2 3.85Å; F34-W42 AromaticContact CD2-CZ3 3.72Å; F34-W42 HydrophobicContact CD2-CZ3 3.72Å; F34-W42 HydrophobicContact CE2-CD2 4.16Å; F34-W42 AromaticContact CE2-CE3 3.79Å; F34-W42 HydrophobicContact CE2-CE3 3.79Å; F34-W42 AromaticContact CE2-CZ3 3.99Å; F34-W42 HydrophobicContact CE2-CZ3 3.99Å; L35-W42 HydrophobicContact CB-CB 4.02Å; D38-W42 PolarHBondContact O-N 3.36Å; P39-W42 PolarHBondContact O-N 2.84Å; E40-W42 VanDerWaalsContact C-N 3.28Å; E40-W42 PolarHBondContact O-N 3.19Å; W42-A44 VanDerWaalsContact C-N 3.34Å; W42-A44 PolarHBondContact O-N 3.44Å; W42-R45 WeakPolarHBondContact O-CB 3.45Å; W42-R45 PolarHBondContact O-N 3.27Å; W42-L46 HydrophobicContact CD2-CD1 3.85Å; W42-L46 HydrophobicContact CD2-CG 4.28Å; W42-L46 HydrophobicContact CE3-CD1 3.75Å; W42-L46 HydrophobicContact CH2-CD1 3.29Å; W42-L46 HydrophobicContact CH2-CG 4.44Å; W42-L46 HydrophobicContact CZ2-CD1 3.38Å; W42-L46 HydrophobicContact CZ2-CD2 4.4Å; W42-L46 HydrophobicContact CZ2-CG 4.09Å; W42-L46 HydrophobicContact CZ3-CD1 3.46Å; W42-L46 VanDerWaalsContact CZ3-CD1 3.46Å; W42-L46 PolarHBondContact O-N 3.42Å; W42-A65 HydrophobicContact CH2-CB 4.28Å; W42-A68 HydrophobicContact CZ2-CB 3.9Å; W42-M69 HydrophobicContact CH2-CE 3.42Å; W42-M69 VanDerWaalsContact CH2-CE 3.42Å; W42-M69 HydrophobicContact CH2-CG 3.87Å; W42-M69 HydrophobicContact CZ2-CG 4.35Å; W42-M69 HydrophobicContact CZ3-CE 3.49Å; W42-M69 VanDerWaalsContact CZ3-CE 3.49Å
43	F	94.9	Very high	90.9	Very high	1 Å²	1	69.6 Å²	69.6	0%	0.004	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-39.6	174.9	-81.8	-68.7	0	0	0	112.3	P39 E40 R45 L46 D47 M69 F91 K95 C98 L99	P39-F43 WeakPolarHBondContact O-CD2 3.39Å; P39-F43 PolarHBondContact O-N 3.43Å; E40-F43 PolarHBondContact O-N 2.95Å; F43-R45 VanDerWaalsContact C-N 3.3Å; F43-R45 PolarHBondContact O-N 3.43Å; F43-L46 HydrophobicContact CD1-CD1 4.27Å; F43-L46 WeakPolarHBondContact O-CB 3.22Å; F43-L46 PolarHBondContact O-N 3.47Å; F43-D47 VanDerWaalsContact O-CG 3.31Å; F43-D47 PolarHBondContact O-N 2.71Å; F43-M69 HydrophobicContact CZ-CE 4.5Å; F43-F91 HydrophobicContact CD1-CE2 4.18Å; F43-F91 HydrophobicContact CD1-CZ 4.02Å; F43-F91 AromaticContact CE1-CE2 3.96Å; F43-F91 HydrophobicContact CE1-CE2 3.96Å; F43-F91 HydrophobicContact CE1-CZ 4.23Å; F43-K95 HydrophobicContact CB-CD 4.38Å; F43-K95 HydrophobicContact CD1-CB 4.2Å; F43-K95 HydrophobicContact CD1-CD 4.1Å; F43-K95 HydrophobicContact CD1-CG 3.89Å; F43-K95 HydrophobicContact CD2-CG 4.14Å; F43-K95 HydrophobicContact CE1-CB 3.91Å; F43-K95 HydrophobicContact CE1-CG 4.05Å; F43-K95 HydrophobicContact CE2-CG 4.32Å; F43-K95 HydrophobicContact CG-CD 4.22Å; F43-K95 HydrophobicContact CG-CG 3.94Å; F43-K95 HydrophobicContact CZ-CB 4.14Å; F43-K95 HydrophobicContact CZ-CG 4.27Å; F43-C98 HydrophobicContact CE2-CB 3.55Å; F43-C98 HydrophobicContact CZ-CB 3.7Å; F43-L99 HydrophobicContact CD2-CD2 4.15Å; F43-L99 HydrophobicContact CD2-CG 4.43Å; F43-L99 HydrophobicContact CE2-CD2 4.43Å
44	A	94.4	Very high	90.8	Very high	48 Å²	48	71.6 Å²	71.6	40%	0.397	34%	0.343	S	S	.	.	H	α-helix	trans	-61.7	-39.7	174.8	0	0	0	0	0	111.9	E40 L41 W42 D47 L48	E40-A44 PolarHBondContact O-N 3.44Å; L41-A44 PolarHBondContact O-N 3.3Å; W42-A44 VanDerWaalsContact C-N 3.34Å; W42-A44 PolarHBondContact O-N 3.44Å; A44-D47 PolarHBondContact O-N 3.41Å; A44-L48 WeakPolarHBondContact O-CG 3.42Å; A44-L48 PolarHBondContact O-N 2.86Å
45	R	93.7	Very high	90.6	Very high	143 Å²	143	72.2 Å²	72.2	54%	0.54	35%	0.348	S	S	.	.	H	α-helix	trans	-66.7	-38.8	174.7	-171.3	-179.7	173.9	-163.9	-1.9	111.8	P32 L41 W42 F43 L48 F49	P32-R45 HydrophobicContact CB-CG 4.16Å; P32-R45 HydrophobicContact CG-CG 3.84Å; L41-R45 PolarHBondContact O-N 3.02Å; W42-R45 WeakPolarHBondContact O-CB 3.45Å; W42-R45 PolarHBondContact O-N 3.27Å; F43-R45 VanDerWaalsContact C-N 3.3Å; F43-R45 PolarHBondContact O-N 3.43Å; R45-L48 PolarHBondContact O-N 3.5Å; R45-F49 WeakPolarHBondContact O-CB 3.35Å; R45-F49 PolarHBondContact O-N 3.24Å
46	L	92.7	Very high	90.5	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-45.4	173.7	-83.8	178.7	0	0	0	112	A31 P32 W42 F43 L48 F49 F50 A65 F91	A31-L46 HydrophobicContact CB-CD2 4.28Å; P32-L46 HydrophobicContact CG-CD2 4.29Å; W42-L46 HydrophobicContact CD2-CD1 3.85Å; W42-L46 HydrophobicContact CD2-CG 4.28Å; W42-L46 HydrophobicContact CE3-CD1 3.75Å; W42-L46 HydrophobicContact CH2-CD1 3.29Å; W42-L46 HydrophobicContact CH2-CG 4.44Å; W42-L46 HydrophobicContact CZ2-CD1 3.38Å; W42-L46 HydrophobicContact CZ2-CD2 4.4Å; W42-L46 HydrophobicContact CZ2-CG 4.09Å; W42-L46 HydrophobicContact CZ3-CD1 3.46Å; W42-L46 VanDerWaalsContact CZ3-CD1 3.46Å; W42-L46 PolarHBondContact O-N 3.42Å; F43-L46 HydrophobicContact CD1-CD1 4.27Å; F43-L46 WeakPolarHBondContact O-CB 3.22Å; F43-L46 PolarHBondContact O-N 3.47Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 3.05Å; L46-F49 WeakPolarHBondContact O-CA 3.21Å; L46-F49 WeakPolarHBondContact O-CB 3.48Å; L46-F49 PolarHBondContact O-N 3.23Å; L46-F50 HydrophobicContact CB-CD2 4.14Å; L46-F50 HydrophobicContact CB-CE2 3.83Å; L46-F50 HydrophobicContact CD1-CE2 4.31Å; L46-F50 HydrophobicContact CD2-CD2 4.45Å; L46-F50 HydrophobicContact CD2-CE2 3.57Å; L46-F50 HydrophobicContact CD2-CZ 3.78Å; L46-F50 HydrophobicContact CG-CE2 4.12Å; L46-F50 WeakPolarHBondContact O-CD2 3.3Å; L46-F50 PolarHBondContact O-N 3.34Å; L46-A65 HydrophobicContact CD1-CB 4.13Å; L46-F91 HydrophobicContact CD1-CE2 4.42Å
47	D	91.9	Very high	90.8	Very high	54 Å²	54	75.1 Å²	75.1	29%	0.289	36%	0.362	S	S	.	.	H	α-helix	trans	-57.4	-41.7	178.9	-73	-27.9	0	0	0	111	F43 A44 R51 K95	F43-D47 VanDerWaalsContact O-CG 3.31Å; F43-D47 PolarHBondContact O-N 2.71Å; A44-D47 PolarHBondContact O-N 3.41Å; D47-R51 VanDerWaalsContact O-CB 3.24Å; D47-R51 WeakPolarHBondContact O-CB 3.35Å; D47-R51 PolarHBondContact O-N 3.44Å; D47-R51 VanDerWaalsContact O-N 3.09Å; D47-K95 IonicContact OD2-NZ 2.85Å; D47-K95 PolarHBondContact OD2-NZ 3.06Å
48	L	91.7	Very high	91.1	Very high	90 Å²	90	73.1 Å²	73.1	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-66.1	-44.5	173.5	-67.9	175.3	0	0	0	112.1	A44 R45 L46 F50 R51 H52	A44-L48 WeakPolarHBondContact O-CG 3.42Å; A44-L48 PolarHBondContact O-N 2.86Å; R45-L48 PolarHBondContact O-N 3.5Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 3.05Å; L48-F50 PolarHBondContact O-N 3.43Å; L48-R51 PolarHBondContact O-N 3Å; L48-H52 PolarHBondContact O-CD2 3.07Å; L48-H52 PolarHBondContact O-N 3.39Å
49	F	90.9	Very high	91.2	Very high	29 Å²	29	76 Å²	76	13%	0.127	36%	0.357	C	S	.	.	H	α-helix	trans	-59.4	-47.7	-180	175.4	-94.1	0	0	0	112.2	L29 A30 A31 P32 R45 L46 H52 R53	L29-F49 HydrophobicContact CB-CE2 3.77Å; L29-F49 VanDerWaalsContact O-CZ 3.27Å; L29-F49 WeakPolarHBondContact O-CZ 3.42Å; A30-F49 VanDerWaalsContact O-CE2 3.3Å; A30-F49 WeakPolarHBondContact O-CE2 3.35Å; A30-F49 WeakPolarHBondContact O-CZ 3.27Å; A31-F49 HydrophobicContact CB-CE1 4.2Å; A31-F49 HydrophobicContact CB-CZ 4.48Å; P32-F49 HydrophobicContact CG-CB 4.26Å; P32-F49 HydrophobicContact CG-CD2 4.41Å; P32-F49 HydrophobicContact CG-CG 4.35Å; R45-F49 WeakPolarHBondContact O-CB 3.35Å; R45-F49 PolarHBondContact O-N 3.24Å; L46-F49 WeakPolarHBondContact O-CA 3.21Å; L46-F49 WeakPolarHBondContact O-CB 3.48Å; L46-F49 PolarHBondContact O-N 3.23Å; F49-H52 PolarHBondContact O-N 3.09Å; F49-R53 WeakPolarHBondContact O-CG 3.36Å; F49-R53 PolarHBondContact O-N 3.17Å
50	F	91.2	Very high	91.3	Very high	6 Å²	6	78.3 Å²	78.3	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-69.5	-38.2	179.3	-65.4	-54.5	0	0	0	112.3	L46 L48 H52 R53 H54 V55 V61 L64 F91	L46-F50 HydrophobicContact CB-CD2 4.14Å; L46-F50 HydrophobicContact CB-CE2 3.83Å; L46-F50 HydrophobicContact CD1-CE2 4.31Å; L46-F50 HydrophobicContact CD2-CD2 4.45Å; L46-F50 HydrophobicContact CD2-CE2 3.57Å; L46-F50 HydrophobicContact CD2-CZ 3.78Å; L46-F50 HydrophobicContact CG-CE2 4.12Å; L46-F50 WeakPolarHBondContact O-CD2 3.3Å; L46-F50 PolarHBondContact O-N 3.34Å; L48-F50 PolarHBondContact O-N 3.43Å; F50-H52 VanDerWaalsContact C-N 3.34Å; F50-H52 PolarHBondContact O-N 3.35Å; F50-R53 CarbonylContact O-C 3.44Å; F50-R53 PolarHBondContact O-N 3.19Å; F50-R53 VanDerWaalsContact O-N 3.07Å; F50-H54 PolarHBondContact O-N 3.34Å; F50-V55 HydrophobicContact CB-CB 4.35Å; F50-V55 HydrophobicContact CD1-CB 4.01Å; F50-V55 HydrophobicContact CD1-CG1 4.28Å; F50-V55 HydrophobicContact CD1-CG2 4.48Å; F50-V55 PolarHBondContact O-N 3.03Å; F50-V61 HydrophobicContact CD1-CG2 4.29Å; F50-V61 HydrophobicContact CD2-CG1 3.63Å; F50-V61 HydrophobicContact CD2-CG2 4.37Å; F50-V61 HydrophobicContact CE2-CB 4.48Å; F50-V61 HydrophobicContact CE2-CG1 3.49Å; F50-V61 VanDerWaalsContact CE2-CG1 3.49Å; F50-V61 HydrophobicContact CG-CG1 4.22Å; F50-V61 HydrophobicContact CG-CG2 4.16Å; F50-V61 HydrophobicContact CZ-CG1 3.97Å; F50-L64 HydrophobicContact CD1-CD1 4.37Å; F50-L64 HydrophobicContact CE1-CB 3.66Å; F50-L64 HydrophobicContact CE1-CD1 3.65Å; F50-L64 HydrophobicContact CE1-CG 4.31Å; F50-L64 HydrophobicContact CZ-CB 3.78Å; F50-F91 HydrophobicContact CE2-CE2 4.48Å; F50-F91 HydrophobicContact CE2-CZ 4.49Å
51	R	89.7	Confident	91.4	Very high	161 Å²	161	72.9 Å²	72.9	61%	0.608	35%	0.346	S	S	*	.	H	α-helix	trans	-59.6	-43.8	174.4	-174.5	-177.8	-62.6	166.2	2	112.1	D47 L48 R53 H54	D47-R51 VanDerWaalsContact O-CB 3.24Å; D47-R51 WeakPolarHBondContact O-CB 3.35Å; D47-R51 PolarHBondContact O-N 3.44Å; D47-R51 VanDerWaalsContact O-N 3.09Å; L48-R51 PolarHBondContact O-N 3Å; R51-R53 PolarHBondContact O-N 3.44Å; R51-H54 PolarHBondContact O-N 3Å
52	H	87.7	Confident	91.5	Very high	149 Å²	149	69.3 Å²	69.3	69%	0.69	33%	0.327	S	S	*	.	H	α-helix	trans	-68.4	-20.9	177.2	-75.4	-56.9	0	0	0	113.5	L48 F49 F50	L48-H52 PolarHBondContact O-CD2 3.07Å; L48-H52 PolarHBondContact O-N 3.39Å; F49-H52 PolarHBondContact O-N 3.09Å; F50-H52 VanDerWaalsContact C-N 3.34Å; F50-H52 PolarHBondContact O-N 3.35Å
53	R	86.1	Confident	91.4	Very high	95 Å²	95	74.9 Å²	74.9	36%	0.358	35%	0.353	S	S	.	.	H	α-helix	trans	-98.6	-1.2	179	-70.1	-78.1	175.8	77.2	-15	113.5	T27 L29 F49 F50 R51 V55	T27-R53 PolarHBondContact O-NH2 3.01Å; T27-R53 VanDerWaalsContact O-NH2 3.12Å; L29-R53 PolarHBondContact O-NH1 3.33Å; L29-R53 PolarHBondContact O-NH2 3.47Å; F49-R53 WeakPolarHBondContact O-CG 3.36Å; F49-R53 PolarHBondContact O-N 3.17Å; F50-R53 CarbonylContact O-C 3.44Å; F50-R53 PolarHBondContact O-N 3.19Å; F50-R53 VanDerWaalsContact O-N 3.07Å; R51-R53 PolarHBondContact O-N 3.44Å; R53-V55 HydrophobicContact CB-CG2 3.81Å; R53-V55 PolarHBondContact O-N 2.99Å
54	H	87.4	Confident	91.3	Very high	151 Å²	151	77.7 Å²	77.7	70%	0.699	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	30.5	-173.4	-56.2	-74.4	0	0	0	113.3	F50 R51 H56	F50-H54 PolarHBondContact O-N 3.34Å; R51-H54 PolarHBondContact O-N 3Å; H54-H56 PolarHBondContact O-CD2 3.27Å; H54-H56 PolarHBondContact O-N 3.26Å
55	V	88.2	Confident	91.3	Very high	34 Å²	34	75.4 Å²	75.4	21%	0.206	35%	0.349	C	S	.	.			trans	-88.1	108.8	172.8	-172.1	0	0	0	0	106.9	F50 R53 T60 V61 L64	F50-V55 HydrophobicContact CB-CB 4.35Å; F50-V55 HydrophobicContact CD1-CB 4.01Å; F50-V55 HydrophobicContact CD1-CG1 4.28Å; F50-V55 HydrophobicContact CD1-CG2 4.48Å; F50-V55 PolarHBondContact O-N 3.03Å; R53-V55 HydrophobicContact CB-CG2 3.81Å; R53-V55 PolarHBondContact O-N 2.99Å; V55-T60 HydrophobicContact CG1-CG2 3.65Å; V55-V61 HydrophobicContact CB-CG2 4.39Å; V55-V61 HydrophobicContact CG1-CG2 3.66Å; V55-L64 HydrophobicContact CG1-CD1 4.36Å
56	H	88.1	Confident	91.3	Very high	137 Å²	137	70.1 Å²	70.1	63%	0.634	33%	0.331	S	S	*	.			trans	-120.3	-8.4	-177.8	-61.9	-65.7	0	0	0	112.8	H54 E58	H54-H56 PolarHBondContact O-CD2 3.27Å; H54-H56 PolarHBondContact O-N 3.26Å; H56-E58 PolarHBondContact O-N 2.87Å
57	D	92.5	Very high	91.3	Very high	82 Å²	82	74.3 Å²	74.3	44%	0.439	36%	0.36	S	S	.	.			trans	-74.6	119	180	179.2	75.2	0	0	0	110	E59 T60 V61	D57-E59 VanDerWaalsContact C-N 3.25Å; D57-E59 PolarHBondContact O-N 2.94Å; D57-E59 WeakPolarHBondContact OD2-CB 3.34Å; D57-E59 PolarHBondContact OD2-N 3.18Å; D57-T60 PolarHBondContact O-N 3.04Å; D57-T60 WeakPolarHBondContact OD2-CB 3.11Å; D57-T60 PolarHBondContact OD2-N 3.15Å; D57-T60 PolarHBondContact OD2-OG1 3.19Å; D57-V61 WeakPolarHBondContact O-CB 3.35Å; D57-V61 WeakPolarHBondContact O-CG2 3.41Å; D57-V61 PolarHBondContact O-N 2.86Å
58	E	93	Very high	91.3	Very high	58 Å²	58	72.5 Å²	72.5	27%	0.271	35%	0.353	S	S	.	.	H	α-helix	trans	-58.1	-37.4	-174.5	-84.6	-83.5	146.8	0	0	112.5	H56 F62 A89 P90 F91 T92	H56-E58 PolarHBondContact O-N 2.87Å; E58-F62 WeakPolarHBondContact O-CB 3.44Å; E58-F62 PolarHBondContact O-N 3.44Å; E58-A89 HydrophobicContact CG-CB 4.35Å; E58-A89 WeakPolarHBondContact OE2-CA 3.22Å; E58-P90 HydrophobicContact CB-CG 4.36Å; E58-F91 WeakPolarHBondContact OE2-CA 3.44Å; E58-F91 WeakPolarHBondContact OE2-CB 3.43Å; E58-F91 PolarHBondContact OE2-N 3.29Å; E58-T92 PolarHBondContact OE1-OG1 2.97Å; E58-T92 PolarHBondContact OE2-N 2.92Å
59	E	92.3	Very high	91.4	Very high	124 Å²	124	69 Å²	69	58%	0.579	34%	0.335	S	S	*	.	H	α-helix	trans	-68.2	-48.5	179.4	-174.2	172.2	-162	0	0	110.7	D57 V61 F62 E63	D57-E59 VanDerWaalsContact C-N 3.25Å; D57-E59 PolarHBondContact O-N 2.94Å; D57-E59 WeakPolarHBondContact OD2-CB 3.34Å; D57-E59 PolarHBondContact OD2-N 3.18Å; E59-V61 PolarHBondContact O-N 2.87Å; E59-F62 WeakPolarHBondContact O-CB 3.46Å; E59-F62 PolarHBondContact O-N 3.08Å; E59-E63 WeakPolarHBondContact O-CG 3.49Å; E59-E63 PolarHBondContact O-N 3.02Å
60	T	92.3	Very high	91.5	Very high	59 Å²	59	71.4 Å²	71.4	36%	0.362	35%	0.352	S	S	.	.	H	α-helix	trans	-61.1	-43.8	176.3	-53.7	0	0	0	0	111.7	V55 D57 F62 L64	V55-T60 HydrophobicContact CG1-CG2 3.65Å; D57-T60 PolarHBondContact O-N 3.04Å; D57-T60 WeakPolarHBondContact OD2-CB 3.11Å; D57-T60 PolarHBondContact OD2-N 3.15Å; D57-T60 PolarHBondContact OD2-OG1 3.19Å; T60-F62 VanDerWaalsContact C-N 3.33Å; T60-L64 HydrophobicContact CG2-CD1 3.93Å; T60-L64 WeakPolarHBondContact O-CB 3.28Å; T60-L64 WeakPolarHBondContact O-CG 3.07Å; T60-L64 PolarHBondContact O-N 2.88Å
61	V	93.2	Very high	91.5	Very high	9 Å²	9	78.5 Å²	78.5	6%	0.055	39%	0.385	C	S	.	.	H	α-helix	trans	-63.6	-42.3	177.1	174.8	0	0	0	0	110.4	F50 V55 D57 E59 L64 A65 F91	F50-V61 HydrophobicContact CD1-CG2 4.29Å; F50-V61 HydrophobicContact CD2-CG1 3.63Å; F50-V61 HydrophobicContact CD2-CG2 4.37Å; F50-V61 HydrophobicContact CE2-CB 4.48Å; F50-V61 HydrophobicContact CE2-CG1 3.49Å; F50-V61 VanDerWaalsContact CE2-CG1 3.49Å; F50-V61 HydrophobicContact CG-CG1 4.22Å; F50-V61 HydrophobicContact CG-CG2 4.16Å; F50-V61 HydrophobicContact CZ-CG1 3.97Å; V55-V61 HydrophobicContact CB-CG2 4.39Å; V55-V61 HydrophobicContact CG1-CG2 3.66Å; D57-V61 WeakPolarHBondContact O-CB 3.35Å; D57-V61 WeakPolarHBondContact O-CG2 3.41Å; D57-V61 PolarHBondContact O-N 2.86Å; E59-V61 PolarHBondContact O-N 2.87Å; V61-L64 PolarHBondContact O-N 2.97Å; V61-A65 VanDerWaalsContact O-CB 3.28Å; V61-A65 WeakPolarHBondContact O-CB 3.25Å; V61-A65 PolarHBondContact O-N 3.48Å; V61-F91 HydrophobicContact CB-CB 4.33Å; V61-F91 HydrophobicContact CB-CD2 4.5Å; V61-F91 HydrophobicContact CB-CG 4.21Å; V61-F91 HydrophobicContact CG1-CB 3.99Å; V61-F91 HydrophobicContact CG1-CD1 3.5Å; V61-F91 HydrophobicContact CG1-CD2 3.47Å; V61-F91 VanDerWaalsContact CG1-CD2 3.47Å; V61-F91 HydrophobicContact CG1-CE1 3.7Å; V61-F91 HydrophobicContact CG1-CE2 3.67Å; V61-F91 HydrophobicContact CG1-CG 3.35Å; V61-F91 HydrophobicContact CG1-CZ 3.77Å
62	F	94.9	Very high	91.6	Very high	21 Å²	21	73.5 Å²	73.5	9%	0.092	38%	0.383	C	S	.	.	H	α-helix	trans	-60.2	-51.9	177.1	172.5	-108.2	0	0	0	111.8	E58 E59 T60 L64 A65 L66 F80 A84 P90 F91 L94	E58-F62 WeakPolarHBondContact O-CB 3.44Å; E58-F62 PolarHBondContact O-N 3.44Å; E59-F62 WeakPolarHBondContact O-CB 3.46Å; E59-F62 PolarHBondContact O-N 3.08Å; T60-F62 VanDerWaalsContact C-N 3.33Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.02Å; F62-A65 WeakPolarHBondContact O-CB 3.34Å; F62-A65 PolarHBondContact O-N 3.44Å; F62-L66 HydrophobicContact CD1-CD1 4.22Å; F62-L66 HydrophobicContact CD2-CG 4.43Å; F62-L66 HydrophobicContact CE1-CD1 3.57Å; F62-L66 HydrophobicContact CE1-CG 4.36Å; F62-L66 HydrophobicContact CE2-CD1 3.98Å; F62-L66 HydrophobicContact CE2-CD2 4.12Å; F62-L66 HydrophobicContact CE2-CG 4.04Å; F62-L66 HydrophobicContact CZ-CD1 3.45Å; F62-L66 VanDerWaalsContact CZ-CD1 3.45Å; F62-L66 HydrophobicContact CZ-CD2 4.32Å; F62-L66 HydrophobicContact CZ-CG 4.04Å; F62-L66 WeakPolarHBondContact O-CG 3.39Å; F62-L66 PolarHBondContact O-N 2.86Å; F62-F80 AromaticContact CE2-CE1 3.93Å; F62-F80 HydrophobicContact CE2-CE1 3.93Å; F62-A84 HydrophobicContact CE1-CB 3.93Å; F62-A84 HydrophobicContact CE2-CB 4.38Å; F62-A84 HydrophobicContact CZ-CB 3.54Å; F62-P90 HydrophobicContact CB-CB 4.12Å; F62-P90 HydrophobicContact CB-CG 4.09Å; F62-P90 HydrophobicContact CD1-CB 4.12Å; F62-P90 HydrophobicContact CD2-CB 3.98Å; F62-P90 HydrophobicContact CE2-CB 4.42Å; F62-P90 HydrophobicContact CG-CB 3.81Å; F62-P90 HydrophobicContact CG-CG 4.27Å; F62-F91 HydrophobicContact CB-CB 4.02Å; F62-L94 HydrophobicContact CD2-CB 4.03Å; F62-L94 HydrophobicContact CD2-CD2 3.75Å; F62-L94 HydrophobicContact CD2-CG 4.39Å; F62-L94 HydrophobicContact CE2-CB 4.06Å; F62-L94 HydrophobicContact CE2-CD1 4.22Å; F62-L94 HydrophobicContact CE2-CD2 3.92Å; F62-L94 HydrophobicContact CE2-CG 4.28Å
63	E	93.2	Very high	91.8	Very high	121 Å²	121	66.6 Å²	66.6	57%	0.565	35%	0.352	S	S	*	.	H	α-helix	trans	-59.5	-45	178.2	-71.3	-172.7	163.8	0	0	112	E59 A65 L66 S67	E59-E63 WeakPolarHBondContact O-CG 3.49Å; E59-E63 PolarHBondContact O-N 3.02Å; E63-A65 VanDerWaalsContact C-N 3.32Å; E63-A65 PolarHBondContact O-N 3.29Å; E63-L66 PolarHBondContact O-N 3.2Å; E63-S67 PolarHBondContact O-N 3.36Å
64	L	92.6	Very high	92.1	Very high	61 Å²	61	63.8 Å²	63.8	32%	0.319	34%	0.344	S	S	.	.	H	α-helix	trans	-64.5	-37.6	177.8	-71.7	172.6	0	0	0	111.8	F50 V55 T60 V61 F62 S67 A68	F50-L64 HydrophobicContact CD1-CD1 4.37Å; F50-L64 HydrophobicContact CE1-CB 3.66Å; F50-L64 HydrophobicContact CE1-CD1 3.65Å; F50-L64 HydrophobicContact CE1-CG 4.31Å; F50-L64 HydrophobicContact CZ-CB 3.78Å; V55-L64 HydrophobicContact CG1-CD1 4.36Å; T60-L64 HydrophobicContact CG2-CD1 3.93Å; T60-L64 WeakPolarHBondContact O-CB 3.28Å; T60-L64 WeakPolarHBondContact O-CG 3.07Å; T60-L64 PolarHBondContact O-N 2.88Å; V61-L64 PolarHBondContact O-N 2.97Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.02Å; L64-S67 PolarHBondContact O-N 3.12Å; L64-S67 PolarHBondContact O-OG 3.04Å; L64-A68 PolarHBondContact O-N 3.21Å
65	A	93.8	Very high	92.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-44.9	175.1	0	0	0	0	0	111.7	W42 L46 V61 F62 E63 S67 A68 M69 F91 L94	W42-A65 HydrophobicContact CH2-CB 4.28Å; L46-A65 HydrophobicContact CD1-CB 4.13Å; V61-A65 VanDerWaalsContact O-CB 3.28Å; V61-A65 WeakPolarHBondContact O-CB 3.25Å; V61-A65 PolarHBondContact O-N 3.48Å; F62-A65 WeakPolarHBondContact O-CB 3.34Å; F62-A65 PolarHBondContact O-N 3.44Å; E63-A65 VanDerWaalsContact C-N 3.32Å; E63-A65 PolarHBondContact O-N 3.29Å; A65-S67 VanDerWaalsContact C-N 3.31Å; A65-S67 PolarHBondContact O-N 3.29Å; A65-A68 PolarHBondContact O-N 3.28Å; A65-M69 WeakPolarHBondContact O-CG 3.5Å; A65-F91 HydrophobicContact CB-CD2 3.94Å; A65-F91 HydrophobicContact CB-CE2 3.78Å; A65-L94 HydrophobicContact CB-CD2 4.11Å
66	L	94.1	Very high	92.5	Very high	31 Å²	31	60 Å²	60	16%	0.162	34%	0.34	C	S	.	.	H	α-helix	trans	-60.7	-40.7	175.9	-68	-174.7	0	0	0	111.8	F62 E63 A68 M69 L74 I81 L94	F62-L66 HydrophobicContact CD1-CD1 4.22Å; F62-L66 HydrophobicContact CD2-CG 4.43Å; F62-L66 HydrophobicContact CE1-CD1 3.57Å; F62-L66 HydrophobicContact CE1-CG 4.36Å; F62-L66 HydrophobicContact CE2-CD1 3.98Å; F62-L66 HydrophobicContact CE2-CD2 4.12Å; F62-L66 HydrophobicContact CE2-CG 4.04Å; F62-L66 HydrophobicContact CZ-CD1 3.45Å; F62-L66 VanDerWaalsContact CZ-CD1 3.45Å; F62-L66 HydrophobicContact CZ-CD2 4.32Å; F62-L66 HydrophobicContact CZ-CG 4.04Å; F62-L66 WeakPolarHBondContact O-CG 3.39Å; F62-L66 PolarHBondContact O-N 2.86Å; E63-L66 PolarHBondContact O-N 3.2Å; L66-A68 PolarHBondContact O-N 2.88Å; L66-A68 VanDerWaalsContact O-N 3.15Å; L66-M69 HydrophobicContact CD2-SD 4.3Å; L66-M69 PolarHBondContact O-N 3.4Å; L66-M69 VanDerWaalsContact O-N 3.08Å; L66-L74 HydrophobicContact CB-CD2 4.39Å; L66-L74 HydrophobicContact CD2-CD2 3.74Å; L66-I81 HydrophobicContact CD1-CG2 4.41Å; L66-I81 HydrophobicContact CD2-CD1 4.02Å; L66-I81 HydrophobicContact CD2-CG1 4.12Å; L66-L94 HydrophobicContact CD2-CD1 4.18Å; L66-L94 HydrophobicContact CD2-CD2 4.06Å
67	S	92.1	Very high	92.7	Very high	88 Å²	88	53.5 Å²	53.5	62%	0.615	31%	0.31	S	S	*	.	H	α-helix	trans	-62.4	-21.7	179.2	79.5	0	0	0	0	114.1	E63 L64 A65	E63-S67 PolarHBondContact O-N 3.36Å; L64-S67 PolarHBondContact O-N 3.12Å; L64-S67 PolarHBondContact O-OG 3.04Å; A65-S67 VanDerWaalsContact C-N 3.31Å; A65-S67 PolarHBondContact O-N 3.29Å
68	A	92.8	Very high	92.8	Very high	17 Å²	17	57 Å²	57	14%	0.14	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-9.3	179.3	0	0	0	0	0	113.7	A31 P32 F34 W42 L64 A65 L66	A31-A68 HydrophobicContact CB-CB 3.82Å; P32-A68 WeakPolarHBondContact O-CB 3.36Å; F34-A68 VanDerWaalsContact CB-O 3.25Å; F34-A68 WeakPolarHBondContact CB-O 3.49Å; F34-A68 PolarHBondContact N-O 2.93Å; W42-A68 HydrophobicContact CZ2-CB 3.9Å; L64-A68 PolarHBondContact O-N 3.21Å; A65-A68 PolarHBondContact O-N 3.28Å; L66-A68 PolarHBondContact O-N 2.88Å; L66-A68 VanDerWaalsContact O-N 3.15Å
69	M	93.2	Very high	92.9	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.079	33%	0.331	C	S	.	.	S	Bend	trans	-84.7	152.9	179.6	-67.6	-177	-176.4	0	0	112.2	F34 W42 F43 A65 L66 T73 L74 L77 L94	F34-M69 HydrophobicContact CB-CG 4.33Å; F34-M69 HydrophobicContact CD2-CG 3.97Å; F34-M69 HydrophobicContact CG-CG 4.18Å; W42-M69 HydrophobicContact CH2-CE 3.42Å; W42-M69 VanDerWaalsContact CH2-CE 3.42Å; W42-M69 HydrophobicContact CH2-CG 3.87Å; W42-M69 HydrophobicContact CZ2-CG 4.35Å; W42-M69 HydrophobicContact CZ3-CE 3.49Å; W42-M69 VanDerWaalsContact CZ3-CE 3.49Å; F43-M69 HydrophobicContact CZ-CE 4.5Å; A65-M69 WeakPolarHBondContact O-CG 3.5Å; L66-M69 HydrophobicContact CD2-SD 4.3Å; L66-M69 PolarHBondContact O-N 3.4Å; L66-M69 VanDerWaalsContact O-N 3.08Å; M69-T73 HydrophobicContact SD-CG2 4.15Å; M69-L74 HydrophobicContact CB-CD2 3.86Å; M69-L74 HydrophobicContact CB-CG 4.03Å; M69-L74 HydrophobicContact SD-CD2 4.01Å; M69-L77 HydrophobicContact CE-CD1 4.22Å; M69-L77 HydrophobicContact SD-CD1 3.73Å; M69-L94 HydrophobicContact CE-CD1 4.35Å; M69-L94 HydrophobicContact CE-CD2 3.91Å; M69-L94 HydrophobicContact CE-CG 4.31Å
70	T	92.4	Very high	93	Very high	80 Å²	80	53.9 Å²	53.9	49%	0.491	31%	0.306	S	S	.	.			trans	-80.1	152.9	172.2	60	0	0	0	0	110.8	G72 T73 L74	T70-G72 PolarHBondContact O-N 3.22Å; T70-G72 VanDerWaalsContact O-N 3.17Å; T70-T73 WeakPolarHBondContact O-CA 3.45Å; T70-T73 WeakPolarHBondContact O-CB 3.24Å; T70-T73 PolarHBondContact O-N 2.99Å; T70-T73 PolarHBondContact OG1-OG1 3.27Å; T70-L74 PolarHBondContact O-N 3.43Å
71	E	92.9	Very high	93.2	Very high	155 Å²	155	53.4 Å²	53.4	72%	0.724	30%	0.301	S	S	*	.	H	α-helix	trans	-55.2	-36.7	178.6	-163.9	62	-158.5	0	0	112.7	T73 L74 G75	E71-T73 VanDerWaalsContact C-N 3.33Å; E71-T73 PolarHBondContact O-N 3.34Å; E71-L74 PolarHBondContact O-N 2.89Å; E71-G75 PolarHBondContact O-N 3.4Å
72	G	91	Very high	93.3	Very high	55 Å²	55	58.4 Å²	58.4	57%	0.567	33%	0.326	S	S	*	.	H	α-helix	trans	-61.3	-40.3	175	0	0	0	0	0	113	T70 G75 T76	T70-G72 PolarHBondContact O-N 3.22Å; T70-G72 VanDerWaalsContact O-N 3.17Å; G72-G75 PolarHBondContact O-N 2.81Å; G72-T76 PolarHBondContact O-N 2.83Å; G72-T76 PolarHBondContact O-OG1 3.4Å
73	T	90.9	Very high	93.3	Very high	5 Å²	5	60 Å²	60	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-70.6	-41.8	177.3	-51.5	0	0	0	0	111	F34 M69 T70 E71 G75 T76 L77 L102	F34-T73 HydrophobicContact CD1-CG2 4.12Å; F34-T73 WeakPolarHBondContact CD1-OG1 3.39Å; F34-T73 HydrophobicContact CE1-CG2 3.54Å; F34-T73 VanDerWaalsContact CE1-OG1 3.22Å; F34-T73 WeakPolarHBondContact CE1-OG1 3.45Å; F34-T73 HydrophobicContact CE2-CG2 4.21Å; F34-T73 HydrophobicContact CZ-CG2 3.61Å; M69-T73 HydrophobicContact SD-CG2 4.15Å; T70-T73 WeakPolarHBondContact O-CA 3.45Å; T70-T73 WeakPolarHBondContact O-CB 3.24Å; T70-T73 PolarHBondContact O-N 2.99Å; T70-T73 PolarHBondContact OG1-OG1 3.27Å; E71-T73 VanDerWaalsContact C-N 3.33Å; E71-T73 PolarHBondContact O-N 3.34Å; T73-G75 PolarHBondContact O-N 3.17Å; T73-T76 PolarHBondContact O-N 3.14Å; T73-L77 HydrophobicContact CG2-CD1 4.07Å; T73-L77 WeakPolarHBondContact O-CG 3.22Å; T73-L77 PolarHBondContact O-N 2.84Å; T73-L77 VanDerWaalsContact O-N 3.16Å; T73-L102 HydrophobicContact CG2-CD1 4.39Å
74	L	94.1	Very high	93.3	Very high	35 Å²	35	54.7 Å²	54.7	18%	0.183	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-36.5	174.7	-64.7	176.2	0	0	0	111.4	L66 M69 T70 E71 T76 L77 R78 I81	L66-L74 HydrophobicContact CB-CD2 4.39Å; L66-L74 HydrophobicContact CD2-CD2 3.74Å; M69-L74 HydrophobicContact CB-CD2 3.86Å; M69-L74 HydrophobicContact CB-CG 4.03Å; M69-L74 HydrophobicContact SD-CD2 4.01Å; T70-L74 PolarHBondContact O-N 3.43Å; E71-L74 PolarHBondContact O-N 2.89Å; L74-T76 PolarHBondContact O-N 3.44Å; L74-L77 CarbonylContact O-C 3.3Å; L74-L77 PolarHBondContact O-N 3.27Å; L74-L77 VanDerWaalsContact O-N 3.15Å; L74-R78 WeakPolarHBondContact O-CA 3.43Å; L74-R78 PolarHBondContact O-N 3.21Å; L74-I81 HydrophobicContact CB-CD1 4.27Å; L74-I81 HydrophobicContact CD2-CD1 3.72Å
75	G	93.7	Very high	93.3	Very high	45 Å²	45	58.1 Å²	58.1	46%	0.464	33%	0.334	S	S	.	.	H	α-helix	trans	-56.9	-46.1	172.6	0	0	0	0	0	113	E71 G72 T73 L77 R78	E71-G75 PolarHBondContact O-N 3.4Å; G72-G75 PolarHBondContact O-N 2.81Å; T73-G75 PolarHBondContact O-N 3.17Å; G75-L77 VanDerWaalsContact C-N 3.25Å; G75-L77 PolarHBondContact O-N 3.22Å; G75-R78 VanDerWaalsContact O-CB 3.22Å; G75-R78 WeakPolarHBondContact O-CB 3.38Å; G75-R78 PolarHBondContact O-N 3.36Å
76	T	89.7	Confident	93.4	Very high	61 Å²	61	64.7 Å²	64.7	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-30.5	176.5	-53.9	0	0	0	0	112.6	G72 T73 L74 R101	G72-T76 PolarHBondContact O-N 2.83Å; G72-T76 PolarHBondContact O-OG1 3.4Å; T73-T76 PolarHBondContact O-N 3.14Å; L74-T76 PolarHBondContact O-N 3.44Å; T76-R101 PolarHBondContact O-NH1 3.37Å
77	L	92	Very high	93.3	Very high	0 Å²	0	67 Å²	67	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-95.9	0.7	-179.1	-59.2	169.9	0	0	0	113.2	M69 T73 L74 G75 N79 F80 I81 L94 V97 C98	M69-L77 HydrophobicContact CE-CD1 4.22Å; M69-L77 HydrophobicContact SD-CD1 3.73Å; T73-L77 HydrophobicContact CG2-CD1 4.07Å; T73-L77 WeakPolarHBondContact O-CG 3.22Å; T73-L77 PolarHBondContact O-N 2.84Å; T73-L77 VanDerWaalsContact O-N 3.16Å; L74-L77 CarbonylContact O-C 3.3Å; L74-L77 PolarHBondContact O-N 3.27Å; L74-L77 VanDerWaalsContact O-N 3.15Å; G75-L77 VanDerWaalsContact C-N 3.25Å; G75-L77 PolarHBondContact O-N 3.22Å; L77-N79 VanDerWaalsContact C-N 3.29Å; L77-N79 PolarHBondContact O-N 3.38Å; L77-N79 VanDerWaalsContact O-N 3.14Å; L77-F80 WeakPolarHBondContact O-CA 3.27Å; L77-F80 WeakPolarHBondContact O-CB 3.41Å; L77-F80 PolarHBondContact O-N 2.86Å; L77-I81 HydrophobicContact CB-CD1 4.02Å; L77-I81 HydrophobicContact CB-CG1 4.32Å; L77-I81 PolarHBondContact O-N 3.15Å; L77-L94 HydrophobicContact CD1-CD1 4.06Å; L77-V97 HydrophobicContact CD2-CG1 3.91Å; L77-C98 WeakPolarHBondContact CD1-SG 3.18Å
78	R	95	Very high	93.4	Very high	156 Å²	156	70 Å²	70	59%	0.589	39%	0.389	S	S	*	.	H	α-helix	trans	-49.3	-48	-172.1	177.7	-179.3	177.4	-129.5	-1	113.1	L74 G75 F80 I81 L82	L74-R78 WeakPolarHBondContact O-CA 3.43Å; L74-R78 PolarHBondContact O-N 3.21Å; G75-R78 VanDerWaalsContact O-CB 3.22Å; G75-R78 WeakPolarHBondContact O-CB 3.38Å; G75-R78 PolarHBondContact O-N 3.36Å; R78-F80 PolarHBondContact O-N 3.38Å; R78-I81 PolarHBondContact O-N 3.47Å; R78-L82 HydrophobicContact CG-CD1 3.98Å; R78-L82 HydrophobicContact CG-CG 4.4Å; R78-L82 WeakPolarHBondContact O-CG 3.23Å; R78-L82 PolarHBondContact O-N 3.16Å
79	N	94	Very high	93.6	Very high	105 Å²	105	70.8 Å²	70.8	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-60.8	-35	-178.5	-67	-9.7	0	0	0	112.1	L77 T83	L77-N79 VanDerWaalsContact C-N 3.29Å; L77-N79 PolarHBondContact O-N 3.38Å; L77-N79 VanDerWaalsContact O-N 3.14Å; N79-T83 PolarHBondContact O-OG1 3.43Å
80	F	95.3	Very high	93.7	Very high	12 Å²	12	70.8 Å²	70.8	5%	0.053	40%	0.397	C	S	.	.	H	α-helix	trans	-75.2	-43.1	176.7	171.5	-97	0	0	0	111.6	F62 L77 R78 L82 T83 A84 Q87 A93 L94 V97	F62-F80 AromaticContact CE2-CE1 3.93Å; F62-F80 HydrophobicContact CE2-CE1 3.93Å; L77-F80 WeakPolarHBondContact O-CA 3.27Å; L77-F80 WeakPolarHBondContact O-CB 3.41Å; L77-F80 PolarHBondContact O-N 2.86Å; R78-F80 PolarHBondContact O-N 3.38Å; F80-L82 VanDerWaalsContact C-N 3.27Å; F80-L82 PolarHBondContact O-N 3.17Å; F80-T83 CarbonylContact O-C 3.38Å; F80-T83 PolarHBondContact O-N 2.85Å; F80-T83 PolarHBondContact O-OG1 2.9Å; F80-T83 VanDerWaalsContact O-OG1 3.12Å; F80-A84 PolarHBondContact O-N 2.92Å; F80-Q87 HydrophobicContact CE2-CG 4.02Å; F80-Q87 HydrophobicContact CZ-CG 4.34Å; F80-A93 HydrophobicContact CE2-CB 3.66Å; F80-A93 HydrophobicContact CZ-CB 3.64Å; F80-L94 HydrophobicContact CD1-CD1 3.85Å; F80-L94 VanDerWaalsContact CE1-CA 3.47Å; F80-L94 HydrophobicContact CE1-CB 3.65Å; F80-L94 HydrophobicContact CE1-CD1 3.72Å; F80-L94 HydrophobicContact CE1-CG 4.3Å; F80-L94 HydrophobicContact CZ-CB 4.13Å; F80-L94 VanDerWaalsContact CZ-N 3.27Å; F80-V97 HydrophobicContact CB-CG1 4.11Å; F80-V97 HydrophobicContact CD2-CB 4.39Å; F80-V97 HydrophobicContact CD2-CG2 3.75Å; F80-V97 HydrophobicContact CE2-CG2 4.15Å; F80-V97 HydrophobicContact CG-CB 4.38Å; F80-V97 HydrophobicContact CG-CG1 4.29Å; F80-V97 HydrophobicContact CG-CG2 4.21Å
81	I	95.7	Very high	93.8	Very high	49 Å²	49	67.5 Å²	67.5	25%	0.251	38%	0.376	S	S	.	.	H	α-helix	trans	-59.9	-40	179.4	-64.2	166.4	0	0	0	110.8	L66 L74 L77 R78 T83 A84	L66-I81 HydrophobicContact CD1-CG2 4.41Å; L66-I81 HydrophobicContact CD2-CD1 4.02Å; L66-I81 HydrophobicContact CD2-CG1 4.12Å; L74-I81 HydrophobicContact CB-CD1 4.27Å; L74-I81 HydrophobicContact CD2-CD1 3.72Å; L77-I81 HydrophobicContact CB-CD1 4.02Å; L77-I81 HydrophobicContact CB-CG1 4.32Å; L77-I81 PolarHBondContact O-N 3.15Å; R78-I81 PolarHBondContact O-N 3.47Å; I81-T83 PolarHBondContact O-N 2.99Å; I81-A84 WeakPolarHBondContact O-CB 3.41Å; I81-A84 PolarHBondContact O-N 3.33Å
82	L	96.1	Very high	93.9	Very high	113 Å²	113	64 Å²	64	59%	0.592	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.9	177.9	-69.4	175.7	0	0	0	114.4	R78 F80	R78-L82 HydrophobicContact CG-CD1 3.98Å; R78-L82 HydrophobicContact CG-CG 4.4Å; R78-L82 WeakPolarHBondContact O-CG 3.23Å; R78-L82 PolarHBondContact O-N 3.16Å; F80-L82 VanDerWaalsContact C-N 3.27Å; F80-L82 PolarHBondContact O-N 3.17Å
83	T	95.3	Very high	94.1	Very high	56 Å²	56	62.1 Å²	62.1	34%	0.344	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	11.6	177.2	62.1	0	0	0	0	111.8	N79 F80 I81 D85 Q86	N79-T83 PolarHBondContact O-OG1 3.43Å; F80-T83 CarbonylContact O-C 3.38Å; F80-T83 PolarHBondContact O-N 2.85Å; F80-T83 PolarHBondContact O-OG1 2.9Å; F80-T83 VanDerWaalsContact O-OG1 3.12Å; I81-T83 PolarHBondContact O-N 2.99Å; T83-D85 VanDerWaalsContact C-N 3.26Å; T83-D85 PolarHBondContact O-N 3.17Å; T83-Q86 WeakPolarHBondContact O-CB 3.3Å; T83-Q86 PolarHBondContact O-N 3.46Å; T83-Q86 VanDerWaalsContact O-N 3.17Å
84	A	92.8	Very high	94.3	Very high	9 Å²	9	61.9 Å²	61.9	7%	0.074	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-67.6	-28.1	-173.1	0	0	0	0	0	112.4	F62 F80 I81 Q86 Q87	F62-A84 HydrophobicContact CE1-CB 3.93Å; F62-A84 HydrophobicContact CE2-CB 4.38Å; F62-A84 HydrophobicContact CZ-CB 3.54Å; F80-A84 PolarHBondContact O-N 2.92Å; I81-A84 WeakPolarHBondContact O-CB 3.41Å; I81-A84 PolarHBondContact O-N 3.33Å; A84-Q86 PolarHBondContact O-N 2.95Å; A84-Q87 WeakPolarHBondContact O-CB 3.4Å; A84-Q87 PolarHBondContact O-N 3.35Å
85	D	92.7	Very high	94.4	Very high	133 Å²	133	63.2 Å²	63.2	71%	0.711	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-60.7	-22.4	174.5	63.8	-62.7	0	0	0	113.1	T83 Q87	T83-D85 VanDerWaalsContact C-N 3.26Å; T83-D85 PolarHBondContact O-N 3.17Å; D85-Q87 VanDerWaalsContact C-N 3.31Å
86	Q	94.8	Very high	94.4	Very high	138 Å²	138	64 Å²	64	65%	0.645	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-84.5	-10.4	178.7	-52	-176.5	-38.4	0	0	112.2	T83 A84	T83-Q86 WeakPolarHBondContact O-CB 3.3Å; T83-Q86 PolarHBondContact O-N 3.46Å; T83-Q86 VanDerWaalsContact O-N 3.17Å; A84-Q86 PolarHBondContact O-N 2.95Å
87	Q	93.7	Very high	94.6	Very high	80 Å²	80	62.6 Å²	62.6	37%	0.374	34%	0.341	S	S	.	.			trans	-90.7	129.9	-175.8	-57.2	-64	89.1	0	0	110.7	F80 A84 D85 A89 P90 A93	F80-Q87 HydrophobicContact CE2-CG 4.02Å; F80-Q87 HydrophobicContact CZ-CG 4.34Å; A84-Q87 WeakPolarHBondContact O-CB 3.4Å; A84-Q87 PolarHBondContact O-N 3.35Å; D85-Q87 VanDerWaalsContact C-N 3.31Å; Q87-A89 VanDerWaalsContact C-N 3.28Å; Q87-A89 PolarHBondContact O-N 3.41Å; Q87-P90 HydrophobicContact CB-CB 4.43Å; Q87-A93 HydrophobicContact CB-CB 4.47Å; Q87-A93 HydrophobicContact CG-CB 4.25Å; Q87-A93 VanDerWaalsContact NE2-CB 3.29Å
88	T	93.7	Very high	94.6	Very high	149 Å²	149	62.6 Å²	62.6	91%	0.914	34%	0.341	S	S	*	.	S	Bend	trans	-69.5	-27.5	174.8	-47.4	0	0	0	0	112.8
89	A	95.7	Very high	94.4	Very high	35 Å²	35	57.3 Å²	57.3	29%	0.289	32%	0.324	S	S	.	.	S	Bend	trans	-134.3	78.3	178.6	0	0	0	0	0	108.8	E58 Q87 F91 T92 A93	E58-A89 HydrophobicContact CG-CB 4.35Å; E58-A89 WeakPolarHBondContact OE2-CA 3.22Å; Q87-A89 VanDerWaalsContact C-N 3.28Å; Q87-A89 PolarHBondContact O-N 3.41Å; A89-F91 VanDerWaalsContact C-N 3.34Å; A89-F91 PolarHBondContact O-N 3.26Å; A89-T92 PolarHBondContact O-N 2.97Å; A89-A93 WeakPolarHBondContact O-CB 3.49Å; A89-A93 PolarHBondContact O-N 3.19Å
90	P	95.3	Very high	94.2	Very high	15 Å²	15	58 Å²	58	10%	0.097	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-37	-170.4	23.9	-35.9	0	0	0	113	E58 F62 Q87 L94	E58-P90 HydrophobicContact CB-CG 4.36Å; F62-P90 HydrophobicContact CB-CB 4.12Å; F62-P90 HydrophobicContact CB-CG 4.09Å; F62-P90 HydrophobicContact CD1-CB 4.12Å; F62-P90 HydrophobicContact CD2-CB 3.98Å; F62-P90 HydrophobicContact CE2-CB 4.42Å; F62-P90 HydrophobicContact CG-CB 3.81Å; F62-P90 HydrophobicContact CG-CG 4.27Å; Q87-P90 HydrophobicContact CB-CB 4.43Å; P90-L94 VanDerWaalsContact O-CB 3.23Å; P90-L94 WeakPolarHBondContact O-CB 3.48Å; P90-L94 PolarHBondContact O-N 2.97Å
91	F	94.8	Very high	93.7	Very high	12 Å²	12	61.5 Å²	61.5	5%	0.053	34%	0.341	C	S	.	.	H	α-helix	trans	-71.9	-43.2	177.6	175.3	-105.8	0	0	0	111.6	F43 L46 F50 E58 V61 F62 A65 A89 A93 L94 K95	F43-F91 HydrophobicContact CD1-CE2 4.18Å; F43-F91 HydrophobicContact CD1-CZ 4.02Å; F43-F91 AromaticContact CE1-CE2 3.96Å; F43-F91 HydrophobicContact CE1-CE2 3.96Å; F43-F91 HydrophobicContact CE1-CZ 4.23Å; L46-F91 HydrophobicContact CD1-CE2 4.42Å; F50-F91 HydrophobicContact CE2-CE2 4.48Å; F50-F91 HydrophobicContact CE2-CZ 4.49Å; E58-F91 WeakPolarHBondContact OE2-CA 3.44Å; E58-F91 WeakPolarHBondContact OE2-CB 3.43Å; E58-F91 PolarHBondContact OE2-N 3.29Å; V61-F91 HydrophobicContact CB-CB 4.33Å; V61-F91 HydrophobicContact CB-CD2 4.5Å; V61-F91 HydrophobicContact CB-CG 4.21Å; V61-F91 HydrophobicContact CG1-CB 3.99Å; V61-F91 HydrophobicContact CG1-CD1 3.5Å; V61-F91 HydrophobicContact CG1-CD2 3.47Å; V61-F91 VanDerWaalsContact CG1-CD2 3.47Å; V61-F91 HydrophobicContact CG1-CE1 3.7Å; V61-F91 HydrophobicContact CG1-CE2 3.67Å; V61-F91 HydrophobicContact CG1-CG 3.35Å; V61-F91 HydrophobicContact CG1-CZ 3.77Å; F62-F91 HydrophobicContact CB-CB 4.02Å; A65-F91 HydrophobicContact CB-CD2 3.94Å; A65-F91 HydrophobicContact CB-CE2 3.78Å; A89-F91 VanDerWaalsContact C-N 3.34Å; A89-F91 PolarHBondContact O-N 3.26Å; F91-A93 VanDerWaalsContact C-N 3.29Å; F91-A93 PolarHBondContact O-N 2.96Å; F91-L94 HydrophobicContact CD2-CD2 4.46Å; F91-L94 WeakPolarHBondContact O-CB 3.47Å; F91-L94 PolarHBondContact O-N 3.49Å; F91-K95 PolarHBondContact O-N 3.32Å
92	T	95.4	Very high	93	Very high	80 Å²	80	59.5 Å²	59.5	49%	0.491	33%	0.33	S	S	.	.	H	α-helix	trans	-59.2	-43.3	175.2	-66.9	0	0	0	0	111.3	E58 A89 K95 A96	E58-T92 PolarHBondContact OE1-OG1 2.97Å; E58-T92 PolarHBondContact OE2-N 2.92Å; A89-T92 PolarHBondContact O-N 2.97Å; T92-K95 PolarHBondContact O-N 3.37Å; T92-A96 PolarHBondContact O-N 2.97Å
93	A	96.1	Very high	92	Very high	17 Å²	17	57.3 Å²	57.3	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-68.9	-38.5	176.2	0	0	0	0	0	112.6	F80 Q87 A89 F91 K95 A96 V97	F80-A93 HydrophobicContact CE2-CB 3.66Å; F80-A93 HydrophobicContact CZ-CB 3.64Å; Q87-A93 HydrophobicContact CB-CB 4.47Å; Q87-A93 HydrophobicContact CG-CB 4.25Å; Q87-A93 VanDerWaalsContact NE2-CB 3.29Å; A89-A93 WeakPolarHBondContact O-CB 3.49Å; A89-A93 PolarHBondContact O-N 3.19Å; F91-A93 VanDerWaalsContact C-N 3.29Å; F91-A93 PolarHBondContact O-N 2.96Å; A93-K95 VanDerWaalsContact C-N 3.32Å; A93-K95 PolarHBondContact O-N 2.98Å; A93-A96 PolarHBondContact O-N 3.43Å; A93-V97 WeakPolarHBondContact O-CG2 3.47Å; A93-V97 PolarHBondContact O-N 3.36Å
94	L	95.2	Very high	91	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-56.7	-48	173.2	179	67.6	0	0	0	110.2	F62 A65 L66 M69 L77 F80 P90 F91 A96 V97 C98	F62-L94 HydrophobicContact CD2-CB 4.03Å; F62-L94 HydrophobicContact CD2-CD2 3.75Å; F62-L94 HydrophobicContact CD2-CG 4.39Å; F62-L94 HydrophobicContact CE2-CB 4.06Å; F62-L94 HydrophobicContact CE2-CD1 4.22Å; F62-L94 HydrophobicContact CE2-CD2 3.92Å; F62-L94 HydrophobicContact CE2-CG 4.28Å; A65-L94 HydrophobicContact CB-CD2 4.11Å; L66-L94 HydrophobicContact CD2-CD1 4.18Å; L66-L94 HydrophobicContact CD2-CD2 4.06Å; M69-L94 HydrophobicContact CE-CD1 4.35Å; M69-L94 HydrophobicContact CE-CD2 3.91Å; M69-L94 HydrophobicContact CE-CG 4.31Å; L77-L94 HydrophobicContact CD1-CD1 4.06Å; F80-L94 HydrophobicContact CD1-CD1 3.85Å; F80-L94 VanDerWaalsContact CE1-CA 3.47Å; F80-L94 HydrophobicContact CE1-CB 3.65Å; F80-L94 HydrophobicContact CE1-CD1 3.72Å; F80-L94 HydrophobicContact CE1-CG 4.3Å; F80-L94 HydrophobicContact CZ-CB 4.13Å; F80-L94 VanDerWaalsContact CZ-N 3.27Å; P90-L94 VanDerWaalsContact O-CB 3.23Å; P90-L94 WeakPolarHBondContact O-CB 3.48Å; P90-L94 PolarHBondContact O-N 2.97Å; F91-L94 HydrophobicContact CD2-CD2 4.46Å; F91-L94 WeakPolarHBondContact O-CB 3.47Å; F91-L94 PolarHBondContact O-N 3.49Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 2.99Å; L94-V97 PolarHBondContact O-N 3Å; L94-C98 VanDerWaalsContact O-CB 3.27Å; L94-C98 WeakPolarHBondContact O-CB 3.42Å; L94-C98 PolarHBondContact O-N 3.41Å; L94-C98 PolarHBondContact O-SG 3.27Å
95	K	94.6	Very high	90	Very high	62 Å²	62	62 Å²	62	27%	0.27	34%	0.344	S	S	.	.	H	α-helix	trans	-56.9	-46.9	178.7	-174	171.1	-177.5	171.3	0	111.4	F43 D47 F91 T92 A93 L99	F43-K95 HydrophobicContact CB-CD 4.38Å; F43-K95 HydrophobicContact CD1-CB 4.2Å; F43-K95 HydrophobicContact CD1-CD 4.1Å; F43-K95 HydrophobicContact CD1-CG 3.89Å; F43-K95 HydrophobicContact CD2-CG 4.14Å; F43-K95 HydrophobicContact CE1-CB 3.91Å; F43-K95 HydrophobicContact CE1-CG 4.05Å; F43-K95 HydrophobicContact CE2-CG 4.32Å; F43-K95 HydrophobicContact CG-CD 4.22Å; F43-K95 HydrophobicContact CG-CG 3.94Å; F43-K95 HydrophobicContact CZ-CB 4.14Å; F43-K95 HydrophobicContact CZ-CG 4.27Å; D47-K95 IonicContact OD2-NZ 2.85Å; D47-K95 PolarHBondContact OD2-NZ 3.06Å; F91-K95 PolarHBondContact O-N 3.32Å; T92-K95 PolarHBondContact O-N 3.37Å; A93-K95 VanDerWaalsContact C-N 3.32Å; A93-K95 PolarHBondContact O-N 2.98Å; K95-L99 HydrophobicContact CG-CD1 4.2Å; K95-L99 WeakPolarHBondContact O-CB 3.42Å; K95-L99 VanDerWaalsContact O-CG 3.26Å; K95-L99 WeakPolarHBondContact O-CG 3.34Å; K95-L99 PolarHBondContact O-N 3.39Å
96	A	94.4	Very high	88.8	Confident	63 Å²	63	61.5 Å²	61.5	52%	0.521	33%	0.332	S	S	.	.	H	α-helix	trans	-60.9	-48.9	177.6	0	0	0	0	0	112.2	T92 A93 L94 L99 D100	T92-A96 PolarHBondContact O-N 2.97Å; A93-A96 PolarHBondContact O-N 3.43Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 2.99Å; A96-L99 PolarHBondContact O-N 3.26Å; A96-D100 WeakPolarHBondContact O-CB 3.41Å; A96-D100 PolarHBondContact O-N 3.4Å
97	V	93.1	Very high	87.3	Confident	31 Å²	31	56.9 Å²	56.9	19%	0.188	32%	0.317	C	S	.	.	H	α-helix	trans	-67.3	-39.4	-178.7	174.6	0	0	0	0	112	L77 F80 A93 L94 D100 R101	L77-V97 HydrophobicContact CD2-CG1 3.91Å; F80-V97 HydrophobicContact CB-CG1 4.11Å; F80-V97 HydrophobicContact CD2-CB 4.39Å; F80-V97 HydrophobicContact CD2-CG2 3.75Å; F80-V97 HydrophobicContact CE2-CG2 4.15Å; F80-V97 HydrophobicContact CG-CB 4.38Å; F80-V97 HydrophobicContact CG-CG1 4.29Å; F80-V97 HydrophobicContact CG-CG2 4.21Å; A93-V97 WeakPolarHBondContact O-CG2 3.47Å; A93-V97 PolarHBondContact O-N 3.36Å; L94-V97 PolarHBondContact O-N 3Å; V97-D100 PolarHBondContact O-N 3.32Å; V97-R101 HydrophobicContact CG1-CG 4.23Å; V97-R101 WeakPolarHBondContact O-CB 3.37Å; V97-R101 WeakPolarHBondContact O-CG 3.17Å; V97-R101 PolarHBondContact O-N 3.3Å
98	C	91.9	Very high	85.9	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.6	-48.2	175.9	-74.8	0	0	0	0	111.4	F43 L77 L94 L102	F43-C98 HydrophobicContact CE2-CB 3.55Å; F43-C98 HydrophobicContact CZ-CB 3.7Å; L77-C98 WeakPolarHBondContact CD1-SG 3.18Å; L94-C98 VanDerWaalsContact O-CB 3.27Å; L94-C98 WeakPolarHBondContact O-CB 3.42Å; L94-C98 PolarHBondContact O-N 3.41Å; L94-C98 PolarHBondContact O-SG 3.27Å; C98-L102 HydrophobicContact CB-CD1 4.23Å; C98-L102 WeakPolarHBondContact O-CB 3.26Å; C98-L102 WeakPolarHBondContact O-CD1 3.48Å; C98-L102 VanDerWaalsContact O-CG 3.26Å; C98-L102 WeakPolarHBondContact O-CG 3.26Å; C98-L102 PolarHBondContact O-N 3.17Å
99	L	90.9	Very high	84.5	Confident	44 Å²	44	57.1 Å²	57.1	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-68.1	-37.2	-178.6	-67.1	-179.3	0	0	0	112	P39 E40 F43 K95 A96 T103	P39-L99 HydrophobicContact CB-CD2 4.18Å; P39-L99 HydrophobicContact CG-CD2 4.18Å; E40-L99 HydrophobicContact CB-CD2 4.33Å; E40-L99 HydrophobicContact CG-CD1 4.35Å; E40-L99 HydrophobicContact CG-CD2 3.44Å; E40-L99 VanDerWaalsContact CG-CD2 3.44Å; F43-L99 HydrophobicContact CD2-CD2 4.15Å; F43-L99 HydrophobicContact CD2-CG 4.43Å; F43-L99 HydrophobicContact CE2-CD2 4.43Å; K95-L99 HydrophobicContact CG-CD1 4.2Å; K95-L99 WeakPolarHBondContact O-CB 3.42Å; K95-L99 VanDerWaalsContact O-CG 3.26Å; K95-L99 WeakPolarHBondContact O-CG 3.34Å; K95-L99 PolarHBondContact O-N 3.39Å; A96-L99 PolarHBondContact O-N 3.26Å; L99-T103 WeakPolarHBondContact O-CB 3.45Å; L99-T103 PolarHBondContact O-N 3.16Å; L99-T103 PolarHBondContact O-OG1 2.96Å
100	D	89.9	Confident	82.9	Confident	121 Å²	121	61.3 Å²	61.3	65%	0.647	32%	0.324	S	S	*	.	H	α-helix	trans	-64.5	-55.1	176.1	-173.8	71.8	0	0	0	111.4	A96 V97 D104	A96-D100 WeakPolarHBondContact O-CB 3.41Å; A96-D100 PolarHBondContact O-N 3.4Å; V97-D100 PolarHBondContact O-N 3.32Å; D100-D104 WeakPolarHBondContact O-CB 3.46Å; D100-D104 PolarHBondContact O-N 3.24Å
101	R	86.6	Confident	81.2	Confident	85 Å²	85	69.8 Å²	69.8	32%	0.321	35%	0.354	S	S	.	.	H	α-helix	trans	-74.3	-40.4	-172.9	-66.3	-175.6	-179	-174.6	4.7	114.3	T76 V97 D105	T76-R101 PolarHBondContact O-NH1 3.37Å; V97-R101 HydrophobicContact CG1-CG 4.23Å; V97-R101 WeakPolarHBondContact O-CB 3.37Å; V97-R101 WeakPolarHBondContact O-CG 3.17Å; V97-R101 PolarHBondContact O-N 3.3Å; R101-D105 WeakPolarHBondContact O-CB 3.09Å; R101-D105 PolarHBondContact O-N 2.63Å
102	L	79.6	Confident	79.3	Confident	6 Å²	6	76.4 Å²	76.4	3%	0.031	39%	0.385	C	S	.	.	H	α-helix	trans	-77.8	-29.6	-175.9	-63.7	169.1	0	0	0	111.9	F34 P39 T73 C98 R106	F34-L102 HydrophobicContact CE2-CD1 4.37Å; F34-L102 HydrophobicContact CZ-CD1 3.68Å; P39-L102 HydrophobicContact CB-CD1 4.15Å; P39-L102 HydrophobicContact CG-CB 4.38Å; T73-L102 HydrophobicContact CG2-CD1 4.39Å; C98-L102 HydrophobicContact CB-CD1 4.23Å; C98-L102 WeakPolarHBondContact O-CB 3.26Å; C98-L102 WeakPolarHBondContact O-CD1 3.48Å; C98-L102 VanDerWaalsContact O-CG 3.26Å; C98-L102 WeakPolarHBondContact O-CG 3.26Å; C98-L102 PolarHBondContact O-N 3.17Å; L102-R106 WeakPolarHBondContact O-CB 3.41Å; L102-R106 PolarHBondContact O-N 3.03Å
103	T	76.6	Confident	77.4	Confident	68 Å²	68	76.6 Å²	76.6	42%	0.417	39%	0.388	S	S	.	.	H	α-helix	trans	-70.6	-38	173.3	-53.6	0	0	0	0	110.6	L99 R106 A107	L99-T103 WeakPolarHBondContact O-CB 3.45Å; L99-T103 PolarHBondContact O-N 3.16Å; L99-T103 PolarHBondContact O-OG1 2.96Å; T103-R106 PolarHBondContact O-N 3.22Å; T103-A107 WeakPolarHBondContact O-CB 3.46Å; T103-A107 PolarHBondContact O-N 2.8Å
104	D	74	Confident	75.6	Confident	90 Å²	90	84.3 Å²	84.3	48%	0.481	43%	0.425	S	S	.	.	H	α-helix	trans	-63.6	-47.2	172.8	-169.1	66.1	0	0	0	111.6	D100 R106 A107 H108	D100-D104 WeakPolarHBondContact O-CB 3.46Å; D100-D104 PolarHBondContact O-N 3.24Å; D104-R106 VanDerWaalsContact C-N 3.3Å; D104-R106 PolarHBondContact O-N 3.17Å; D104-A107 CarbonylContact O-C 3.57Å; D104-A107 WeakPolarHBondContact O-CA 3.46Å; D104-A107 WeakPolarHBondContact O-CB 3.29Å; D104-A107 PolarHBondContact O-N 2.68Å; D104-H108 PolarHBondContact O-CD2 2.93Å; D104-H108 PolarHBondContact O-N 3.23Å; D104-H108 IonicContact OD1-CD2 3.8Å; D104-H108 IonicContact OD1-NE2 3.62Å; D104-H108 IonicContact OD2-CD2 3.17Å; D104-H108 PolarHBondContact OD2-CD2 3.18Å; D104-H108 IonicContact OD2-NE2 3.22Å; D104-H108 PolarHBondContact OD2-NE2 3.45Å
105	D	70.3	Confident	73.6	Confident	74 Å²	74	89.4 Å²	89.4	40%	0.396	46%	0.456	S	S	.	.	H	α-helix	trans	-56.6	-42.7	175.5	-171.4	-99.5	0	0	0	112	R101 H108 Q109	R101-D105 WeakPolarHBondContact O-CB 3.09Å; R101-D105 PolarHBondContact O-N 2.63Å; D105-H108 CarbonylContact O-C 3.58Å; D105-H108 WeakPolarHBondContact O-CB 3.48Å; D105-H108 PolarHBondContact O-N 2.83Å; D105-Q109 WeakPolarHBondContact O-CB 3.49Å; D105-Q109 PolarHBondContact O-N 2.85Å
106	R	67.4	Low	71.5	Confident	121 Å²	121	92.9 Å²	92.9	46%	0.457	48%	0.478	S	S	.	.	H	α-helix	trans	-63.5	-42.7	173.7	-176.2	-178.6	-176.8	155.6	7.2	112.2	T37 L102 T103 D104 H108 Q109 I110	T37-R106 PolarHBondContact O-NH1 3.26Å; L102-R106 WeakPolarHBondContact O-CB 3.41Å; L102-R106 PolarHBondContact O-N 3.03Å; T103-R106 PolarHBondContact O-N 3.22Å; D104-R106 VanDerWaalsContact C-N 3.3Å; D104-R106 PolarHBondContact O-N 3.17Å; R106-H108 VanDerWaalsContact C-N 3.26Å; R106-H108 PolarHBondContact O-N 3Å; R106-Q109 PolarHBondContact O-N 3.03Å; R106-I110 HydrophobicContact CG-CD1 4.02Å; R106-I110 VanDerWaalsContact O-CG1 3.29Å; R106-I110 WeakPolarHBondContact O-CG1 3.4Å; R106-I110 PolarHBondContact O-N 3.12Å
107	A	64.2	Low	69.5	Low	42 Å²	42	97.7 Å²	97.7	35%	0.347	49%	0.489	S	S	.	.	H	α-helix	trans	-62.3	-38	176.4	0	0	0	0	0	110.9	T103 D104 R111	T103-A107 WeakPolarHBondContact O-CB 3.46Å; T103-A107 PolarHBondContact O-N 2.8Å; D104-A107 CarbonylContact O-C 3.57Å; D104-A107 WeakPolarHBondContact O-CA 3.46Å; D104-A107 WeakPolarHBondContact O-CB 3.29Å; D104-A107 PolarHBondContact O-N 2.68Å; A107-R111 VanDerWaalsContact O-CB 3.27Å; A107-R111 WeakPolarHBondContact O-CB 3.12Å; A107-R111 WeakPolarHBondContact O-CG 3.27Å; A107-R111 PolarHBondContact O-N 3.45Å
108	H	63.5	Low	67.4	Low	103 Å²	103	103.3 Å²	103.3	48%	0.477	51%	0.514	S	S	.	.	H	α-helix	trans	-67.3	-40.5	173.1	-78.2	-68	0	0	0	112.8	D104 D105 R106 I110 R111 Q112	D104-H108 PolarHBondContact O-CD2 2.93Å; D104-H108 PolarHBondContact O-N 3.23Å; D104-H108 IonicContact OD1-CD2 3.8Å; D104-H108 IonicContact OD1-NE2 3.62Å; D104-H108 IonicContact OD2-CD2 3.17Å; D104-H108 PolarHBondContact OD2-CD2 3.18Å; D104-H108 IonicContact OD2-NE2 3.22Å; D104-H108 PolarHBondContact OD2-NE2 3.45Å; D105-H108 CarbonylContact O-C 3.58Å; D105-H108 WeakPolarHBondContact O-CB 3.48Å; D105-H108 PolarHBondContact O-N 2.83Å; R106-H108 VanDerWaalsContact C-N 3.26Å; R106-H108 PolarHBondContact O-N 3Å; H108-I110 VanDerWaalsContact C-N 3.33Å; H108-I110 PolarHBondContact O-N 3.31Å; H108-R111 CarbonylContact O-C 3.44Å; H108-R111 PolarHBondContact O-N 3.44Å; H108-Q112 PolarHBondContact O-N 3.02Å
109	Q	65	Low	65.4	Low	130 Å²	130	112.4 Å²	112.4	61%	0.607	56%	0.561	S	S	*	*	H	α-helix	trans	-64.2	-38	177.7	-159	-147.4	-84	0	0	112	D105 R106 R111	D105-Q109 WeakPolarHBondContact O-CB 3.49Å; D105-Q109 PolarHBondContact O-N 2.85Å; R106-Q109 PolarHBondContact O-N 3.03Å; Q109-R111 VanDerWaalsContact C-N 3.35Å
110	I	61.1	Low	63.5	Low	123 Å²	123	113.2 Å²	113.2	63%	0.631	57%	0.574	S	S	*	*	H	α-helix	trans	-71.7	-34	175.5	-64.5	164.7	0	0	0	110.9	R106 H108	R106-I110 HydrophobicContact CG-CD1 4.02Å; R106-I110 VanDerWaalsContact O-CG1 3.29Å; R106-I110 WeakPolarHBondContact O-CG1 3.4Å; R106-I110 PolarHBondContact O-N 3.12Å; H108-I110 VanDerWaalsContact C-N 3.33Å; H108-I110 PolarHBondContact O-N 3.31Å
111	R	61	Low	61.5	Low	194 Å²	194	110.6 Å²	110.6	73%	0.732	58%	0.575	S	S	*	*	H	α-helix	trans	-87.2	-4.2	-179.2	-69	179.2	81.2	-168.3	6.3	113.8	A107 H108 Q109 P113	A107-R111 VanDerWaalsContact O-CB 3.27Å; A107-R111 WeakPolarHBondContact O-CB 3.12Å; A107-R111 WeakPolarHBondContact O-CG 3.27Å; A107-R111 PolarHBondContact O-N 3.45Å; H108-R111 CarbonylContact O-C 3.44Å; H108-R111 PolarHBondContact O-N 3.44Å; Q109-R111 VanDerWaalsContact C-N 3.35Å; R111-P113 WeakPolarHBondContact O-CD 3.12Å
112	Q	55.4	Low	59.7	Low	150 Å²	150	115.6 Å²	115.6	70%	0.701	60%	0.602	S	S	*	*	S	Bend	trans	-56.4	110.9	163.9	-93.3	-147.2	95.6	0	0	105.2	H108 I114	H108-Q112 PolarHBondContact O-N 3.02Å; Q112-I114 PolarHBondContact O-N 2.64Å
113	P	54.6	Low	58.4	Low	84 Å²	84	119.7 Å²	119.7	55%	0.545	63%	0.629	S	S	.	*			trans	-61	149.1	-179.4	32.9	-37.3	0	0	0	105.6	R111 T115	R111-P113 WeakPolarHBondContact O-CD 3.12Å; P113-T115 WeakPolarHBondContact CB-OG1 3.09Å; P113-T115 WeakPolarHBondContact CG-OG1 3.06Å; P113-T115 PolarHBondContact O-N 3.47Å
114	I	58.4	Low	57.1	Low	179 Å²	179	122.1 Å²	122.1	92%	0.918	65%	0.647	S	S	*	*	S	Bend	trans	-67.6	61.6	166.4	-54.7	161	0	0	0	106.2	Q112	Q112-I114 PolarHBondContact O-N 2.64Å
115	T	52.5	Low	55.8	Low	108 Å²	108	123.3 Å²	123.3	66%	0.663	66%	0.662	S	S	*	*			trans	-118.2	58	-178.4	-50.8	0	0	0	0	105.5	P113	P113-T115 WeakPolarHBondContact CB-OG1 3.09Å; P113-T115 WeakPolarHBondContact CG-OG1 3.06Å; P113-T115 PolarHBondContact O-N 3.47Å
116	D	51.5	Low	55.2	Low	135 Å²	135	126.3 Å²	126.3	72%	0.722	68%	0.682	S	S	*	*	S	Bend	trans	-145.3	111.8	148.4	-149.7	-115.6	0	0	0	105.8
117	E	52.3	Low	54.8	Low	164 Å²	164	129.8 Å²	129.8	77%	0.766	70%	0.701	S	S	*	*			trans	66.6	93.5	173.5	-109.8	122.6	76.1	0	0	117.8
118	E	49.2	Very low	54.4	Low	149 Å²	149	139.5 Å²	139.5	70%	0.696	73%	0.729	S	S	*	*				74.3	94.7	80.7	-173	92.6	125.3	0	0	109.6	A120	E118-A120 VanDerWaalsContact CD-CB 3.46Å; E118-A120 HydrophobicContact CG-CB 3.31Å; E118-A120 PolarHBondContact O-N 2.81Å
119	L	49.5	Very low	54	Low	191 Å²	191	137.2 Å²	137.2	100%	1	73%	0.733	S	S	*	*	S	Bend	trans	-55.3	24.2	154.4	-155.9	85.8	0	0	0	113.2
120	A	50.1	Low	53.3	Low	60 Å²	60	134.5 Å²	134.5	50%	0.496	74%	0.74	S	S	.	*			trans	-129.6	105.3	-175.3	0	0	0	0	0	109.4	E118	E118-A120 VanDerWaalsContact CD-CB 3.46Å; E118-A120 HydrophobicContact CG-CB 3.31Å; E118-A120 PolarHBondContact O-N 2.81Å
121	G	49.3	Very low	52.9	Low	66 Å²	66	135.6 Å²	135.6	68%	0.68	75%	0.747	S	S	*	*			trans	100.2	38	144.3	0	0	0	0	0	116.7	P123	G121-P123 VanDerWaalsContact C-N 3.29Å; G121-P123 WeakPolarHBondContact O-CD 2.84Å
122	Q	47.9	Very low	53	Low	190 Å²	190	133.3 Å²	133.3	89%	0.888	75%	0.748	S	S	*	*			trans	-82	85.8	131	-173.8	150.4	-114	0	0	107.2
123	P	52	Low	52.9	Low	92 Å²	92	130.8 Å²	130.8	60%	0.597	75%	0.748	S	S	*	*			trans	-58	133	167.3	26.9	-32.5	0	0	0	106.6	G121 S125	G121-P123 VanDerWaalsContact C-N 3.29Å; G121-P123 WeakPolarHBondContact O-CD 2.84Å; P123-S125 PolarHBondContact O-N 3.08Å; P123-S125 VanDerWaalsContact O-N 3.08Å
124	P	49.6	Very low	53.3	Low	120 Å²	120	136.9 Å²	136.9	78%	0.779	76%	0.76	S	S	*	*			trans	-56.4	125.4	177.9	24.8	-32.5	0	0	0	107.7	V126	P124-V126 PolarHBondContact O-N 2.8Å
125	S	47.5	Very low	53.3	Low	114 Å²	114	136.6 Å²	136.6	80%	0.797	76%	0.755	S	S	*	*			trans	0.4	106.5	167.8	-61.1	0	0	0	0	113.8	P123 F127	P123-S125 PolarHBondContact O-N 3.08Å; P123-S125 VanDerWaalsContact O-N 3.08Å; S125-F127 PolarHBondContact O-N 3.29Å
126	V	56.8	Low	54	Low	137 Å²	137	137 Å²	137	83%	0.83	76%	0.757	S	S	*	*			trans	-44.1	101.5	169.1	-162.1	0	0	0	0	108.1	P124 R128	P124-V126 PolarHBondContact O-N 2.8Å; V126-R128 VanDerWaalsContact C-N 3.26Å; V126-R128 PolarHBondContact O-N 2.84Å
127	F	58.6	Low	54.8	Low	194 Å²	194	137.9 Å²	137.9	85%	0.851	76%	0.756	S	S	*	*			trans	-68.6	94.6	175.1	-169.2	-95.1	0	0	0	106.3	S125 G129	S125-F127 PolarHBondContact O-N 3.29Å; F127-G129 VanDerWaalsContact C-N 3.29Å; F127-G129 PolarHBondContact O-N 2.95Å
128	R	57.1	Low	55.1	Low	247 Å²	247	137.4 Å²	137.4	93%	0.932	76%	0.758	S	S	*	*			trans	-69.9	86	175.9	-171	-172.9	-75.1	-163.1	-2.9	107.8	V126	V126-R128 VanDerWaalsContact C-N 3.26Å; V126-R128 PolarHBondContact O-N 2.84Å
129	G	54.8	Low	55	Low	55 Å²	55	135.3 Å²	135.3	57%	0.567	75%	0.751	S	S	*	*			trans	-141.4	98.1	169.4	0	0	0	0	0	108.6	F127	F127-G129 VanDerWaalsContact C-N 3.29Å; F127-G129 PolarHBondContact O-N 2.95Å
130	G	49.2	Very low	55.3	Low	72 Å²	72	132 Å²	132	74%	0.742	74%	0.741	S	S	*	*				85.9	77.9	107.1	0	0	0	0	0	109.3
131	D	53.7	Low	55.9	Low	147 Å²	147	133.8 Å²	133.8	79%	0.786	75%	0.751	S	S	*	*				42	91.4	101.4	-154.2	-85.9	0	0	0	112.7
132	L	62.2	Low	56.2	Low	145 Å²	145	134.3 Å²	134.3	76%	0.759	76%	0.756	S	S	*	*			trans	-140.1	80.5	148.6	-165.7	64.4	0	0	0	108.8	R134	L132-R134 HydrophobicContact CD2-CG 4.47Å; L132-R134 HydrophobicContact CG-CG 4.17Å; L132-R134 PolarHBondContact O-N 3.01Å
133	S	53.7	Low	56.6	Low	98 Å²	98	133.9 Å²	133.9	69%	0.685	76%	0.759	S	S	*	*			trans	-56.4	100.2	156.7	-77.2	0	0	0	0	109
134	R	63.6	Low	56.3	Low	211 Å²	211	132.6 Å²	132.6	80%	0.796	76%	0.762	S	S	*	*			trans	-109.4	84.2	157.2	-80.6	-173.6	75.5	177.8	2.6	108.8	L132 V136	L132-R134 HydrophobicContact CD2-CG 4.47Å; L132-R134 HydrophobicContact CG-CG 4.17Å; L132-R134 PolarHBondContact O-N 3.01Å; R134-V136 PolarHBondContact O-N 3.21Å
135	Q	58	Low	56.3	Low	174 Å²	174	132.5 Å²	132.5	81%	0.813	76%	0.761	S	S	*	*			trans	-56.6	111.6	164.2	-170	145.7	-45.1	0	0	109.4	H137	Q135-H137 HydrophobicContact CG-CB 4.4Å
136	V	67.8	Low	56.2	Low	116 Å²	116	137.2 Å²	137.2	70%	0.703	79%	0.786	S	S	*	*			trans	-101.4	84.8	165.4	-159.3	0	0	0	0	106.3	R134 L138	R134-V136 PolarHBondContact O-N 3.21Å; V136-L138 HydrophobicContact CG1-CD1 3.52Å; V136-L138 HydrophobicContact CG1-CG 3.96Å; V136-L138 PolarHBondContact O-N 3.26Å
137	H	67.5	Low	56.2	Low	154 Å²	154	137.3 Å²	137.3	71%	0.713	78%	0.783	S	S	*	*			trans	-74.5	99.1	172	176.9	70.1	0	0	0	107.8	Q135	Q135-H137 HydrophobicContact CG-CB 4.4Å
138	L	58.9	Low	56	Low	154 Å²	154	134.3 Å²	134.3	81%	0.806	78%	0.78	S	S	*	*			trans	-123.3	83.1	172.6	-75	159.2	0	0	0	107.6	V136	V136-L138 HydrophobicContact CG1-CD1 3.52Å; V136-L138 HydrophobicContact CG1-CG 3.96Å; V136-L138 PolarHBondContact O-N 3.26Å
139	D	47.5	Very low	56	Low	104 Å²	104	128 Å²	128	56%	0.556	77%	0.771	S	S	*	*			trans	-148.3	122.5	152.4	-160.7	-89.9	0	0	0	107.6	S141	D139-S141 PolarHBondContact OD1-N 2.88Å
140	P	55.4	Low	56.1	Low	121 Å²	121	132.3 Å²	132.3	79%	0.786	78%	0.783	S	S	*	*				-139	98.7	113.5	30.3	-13.8	0	0	0	109.9	G142	P140-G142 PolarHBondContact O-N 2.84Å
141	S	62.3	Low	56.5	Low	99 Å²	99	136.1 Å²	136.1	69%	0.692	79%	0.786	S	S	*	*			trans	-68.6	81.5	158.7	-65.7	0	0	0	0	107.9	D139 L143	D139-S141 PolarHBondContact OD1-N 2.88Å; S141-L143 VanDerWaalsContact C-N 3.29Å; S141-L143 PolarHBondContact O-N 2.99Å
142	G	57.2	Low	56.7	Low	77 Å²	77	135.3 Å²	135.3	79%	0.794	79%	0.786	S	S	*	*			trans	-66.1	87.2	174.7	0	0	0	0	0	110.2	P140	P140-G142 PolarHBondContact O-N 2.84Å
143	L	55.4	Low	56.3	Low	181 Å²	181	134.6 Å²	134.6	95%	0.948	79%	0.788	S	S	*	*			trans	-76.3	113.2	167.6	-154	82.5	0	0	0	108.1	S141	S141-L143 VanDerWaalsContact C-N 3.29Å; S141-L143 PolarHBondContact O-N 2.99Å
144	G	45.4	Very low	56.5	Low	64 Å²	64	137.5 Å²	137.5	66%	0.66	80%	0.796	S	S	*	*			trans	172.4	161.8	167.2	0	0	0	0	0	113.5
145	P	49.6	Very low	55.9	Low	119 Å²	119	131.3 Å²	131.3	77%	0.773	80%	0.796	S	S	*	*			cis	-133.3	163.7	-37.6	36.4	-21.8	0	0	0	112.6
146	T	45.7	Very low	55.7	Low	213 Å²	213	127.5 Å²	127.5	100%	1.307	79%	0.794	S	S	*	*			trans	86.6	0	159.7	-16.1	0	0	0	0	117.9

Retrieved 146 of 146 residues in 55.3 ms (Link to these results)

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