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18S rRNA aminocarboxypropyltransferase

Aminocarboxypropyltransferase that catalyzes the aminocarboxypropyl transfer on pseudouridine at position 1248 (Psi1248) in 18S rRNA. It constitutes the last step in biosynthesis of the hypermodified N1-methyl-N3-(3-amino-3-carboxypropyl) pseudouridine (m1acp3-Psi) conserved in eukaryotic 18S rRNA.

AlphaFold DB , UniProt , Accession A0A060VV59, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene tsr3, Length 305 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	41.9	Very low	251 Å²	251	187.3 Å²	187.3	100%	1.236	90%	0.898	S	S	*	*				0	120.6	0	-57.1	-148.1	-79.2	0	0	107.5
2	G	41.9	Very low	41.7	Very low	78 Å²	78	182 Å²	182	80%	0.804	89%	0.89	S	S	*	*			cis	159.6	88.7	11.6	0	0	0	0	0	104
3	R	47.6	Very low	41.7	Very low	252 Å²	252	177.8 Å²	177.8	95%	0.951	88%	0.881	S	S	*	*			trans	-91.7	115.3	-178.1	-80.2	-177.7	170.2	-176.4	-3	109.5	K5	R3-K5 PolarHBondContact O-N 3.42Å
4	K	44.6	Very low	41.6	Very low	213 Å²	213	176.7 Å²	176.7	93%	0.926	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-58.3	122	171.2	-82.4	174.9	170.1	173.9	0	110.3
5	K	48.2	Very low	41.7	Very low	209 Å²	209	177.5 Å²	177.5	91%	0.909	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-98.2	126.4	162.2	-94.1	-176.9	174.6	178.8	0	108.8	R3	R3-K5 PolarHBondContact O-N 3.42Å
6	Q	43.8	Very low	41.4	Very low	197 Å²	197	170.4 Å²	170.4	92%	0.921	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-73.2	122.3	170.1	-69.9	172.9	-14.7	0	0	109
7	G	40.1	Very low	41.4	Very low	77 Å²	77	171.4 Å²	171.4	79%	0.794	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-83.7	119.9	170	0	0	0	0	0	110.2
8	K	41.4	Very low	41.4	Very low	190 Å²	190	169.9 Å²	169.9	83%	0.826	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-70.2	122.1	165.2	-82.3	178.9	172.5	-176.9	0	108.6
9	F	36.6	Very low	41.5	Very low	203 Å²	203	170.3 Å²	170.3	89%	0.89	85%	0.851	S	S	*	*			trans	-100.8	100.4	165.7	-130.4	-94.3	0	0	0	107.1
10	E	38.5	Very low	41.6	Very low	165 Å²	165	173 Å²	173	77%	0.771	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-79.5	123.4	172.7	-71.6	-177	170	0	0	109
11	R	40.5	Very low	41.7	Very low	225 Å²	225	173 Å²	173	85%	0.849	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-84.4	134	169.4	-70	-178.1	177.9	-173.7	-1	108.6	V13	R11-V13 PolarHBondContact O-N 3.03Å
12	P	39.7	Very low	41.8	Very low	124 Å²	124	170.4 Å²	170.4	81%	0.805	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-69.7	124.9	178.6	27.4	-31	0	0	0	110	N14	P12-N14 PolarHBondContact O-N 3.1Å; P12-N14 VanDerWaalsContact O-N 3.12Å
13	V	41.4	Very low	42.2	Very low	127 Å²	127	173.6 Å²	173.6	77%	0.77	83%	0.826	S	S	*	*			trans	-72.1	100.9	173	177.7	0	0	0	0	108	R11 K15	R11-V13 PolarHBondContact O-N 3.03Å; V13-K15 HydrophobicContact CG1-CG 4.44Å; V13-K15 PolarHBondContact O-N 3.31Å
14	N	40.1	Very low	42.4	Very low	163 Å²	163	171.1 Å²	171.1	87%	0.872	82%	0.822	S	S	*	*			trans	-67.8	100	169.2	-113.6	-15.2	0	0	0	108.6	P12 G16	P12-N14 PolarHBondContact O-N 3.1Å; P12-N14 VanDerWaalsContact O-N 3.12Å; N14-G16 PolarHBondContact O-N 2.93Å
15	K	42.8	Very low	43.1	Very low	189 Å²	189	163.6 Å²	163.6	82%	0.822	80%	0.804	S	S	*	*			trans	-73.5	76.8	167.9	-76.7	-176.8	176.6	176.4	0	109.1	V13 K17	V13-K15 HydrophobicContact CG1-CG 4.44Å; V13-K15 PolarHBondContact O-N 3.31Å; K15-K17 PolarHBondContact O-N 3.12Å; K15-K17 VanDerWaalsContact O-N 3.1Å
16	G	38.2	Very low	44.3	Very low	64 Å²	64	158.1 Å²	158.1	66%	0.66	78%	0.781	S	S	*	*			trans	-62.8	106.4	160.9	0	0	0	0	0	108.2	N14 D18	N14-G16 PolarHBondContact O-N 2.93Å; G16-D18 VanDerWaalsContact C-N 3.29Å; G16-D18 PolarHBondContact O-N 2.94Å
17	K	41.2	Very low	46.3	Very low	186 Å²	186	151.9 Å²	151.9	81%	0.809	76%	0.759	S	S	*	*			trans	-68.1	93.2	169.5	-73.2	177.9	178.5	175.3	0	107.3	K15 K19	K15-K17 PolarHBondContact O-N 3.12Å; K15-K17 VanDerWaalsContact O-N 3.1Å; K17-K19 PolarHBondContact O-N 2.81Å
18	D	40.3	Very low	48.6	Very low	146 Å²	146	150.9 Å²	150.9	78%	0.781	74%	0.735	S	S	*	*			trans	-59.9	89	160.8	-84	-35.5	0	0	0	108	G16 R20	G16-D18 VanDerWaalsContact C-N 3.29Å; G16-D18 PolarHBondContact O-N 2.94Å; D18-R20 PolarHBondContact O-N 2.83Å
19	K	44.5	Very low	50.9	Low	177 Å²	177	148.8 Å²	148.8	77%	0.77	73%	0.728	S	S	*	*			trans	-70.9	70.6	162	-73.2	-174.4	178.5	-179.1	0	107.4	K17 H21	K17-K19 PolarHBondContact O-N 2.81Å; K19-H21 VanDerWaalsContact C-N 3.3Å; K19-H21 PolarHBondContact O-N 2.94Å
20	R	43.7	Very low	53.4	Low	223 Å²	223	141 Å²	141	84%	0.842	70%	0.698	S	S	*	*			trans	-60.3	103	157.4	-80.3	-179.8	171.2	-173.9	-3.2	105.6	D18 K22	D18-R20 PolarHBondContact O-N 2.83Å; R20-K22 PolarHBondContact O-N 3.19Å
21	H	42.8	Very low	55.9	Low	173 Å²	173	133.3 Å²	133.3	80%	0.801	66%	0.663	S	S	*	*			trans	-57.4	88.3	161	-98.7	-103.8	0	0	0	106.6	K19 M23	K19-H21 VanDerWaalsContact C-N 3.3Å; K19-H21 PolarHBondContact O-N 2.94Å; H21-M23 PolarHBondContact O-N 2.89Å
22	K	40.8	Very low	58.4	Low	197 Å²	197	124.6 Å²	124.6	86%	0.857	63%	0.634	S	S	*	*			trans	-68.4	93.5	160.4	-172.6	174.7	-178.8	178.6	0	103.5	R20 K24	R20-K22 PolarHBondContact O-N 3.19Å; K22-K24 PolarHBondContact O-N 2.95Å
23	M	49.4	Very low	60.8	Low	146 Å²	146	124.7 Å²	124.7	72%	0.719	62%	0.624	S	S	*	*			trans	-51.9	111.2	169.6	-72.8	-170.3	76.9	0	0	105.5	H21 G25	H21-M23 PolarHBondContact O-N 2.89Å; M23-G25 PolarHBondContact O-N 2.78Å; M23-G25 VanDerWaalsContact O-N 3.11Å
24	K	52.4	Low	63.3	Low	200 Å²	200	121.5 Å²	121.5	87%	0.87	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-56.9	117.7	167.8	-147.1	177.9	-178.4	-172.2	0	103.5	K22 K26	K22-K24 PolarHBondContact O-N 2.95Å; K24-K26 PolarHBondContact O-N 2.75Å
25	G	59.7	Low	65.8	Low	54 Å²	54	114.6 Å²	114.6	56%	0.557	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-48.8	127	-173.1	0	0	0	0	0	109.5	M23	M23-G25 PolarHBondContact O-N 2.78Å; M23-G25 VanDerWaalsContact O-N 3.11Å
26	K	71.8	Confident	68.1	Low	95 Å²	95	110.6 Å²	110.6	41%	0.413	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-57.8	141.1	173.3	-63.8	-176.5	179.5	-169.7	0	107.7	K24 E34	K24-K26 PolarHBondContact O-N 2.75Å; K26-E34 IonicContact NZ-OE1 2.9Å; K26-E34 PolarHBondContact NZ-OE1 3.31Å; K26-E34 IonicContact NZ-OE2 2.8Å; K26-E34 PolarHBondContact NZ-OE2 2.94Å
27	S	87.3	Confident	70.6	Confident	66 Å²	66	112.3 Å²	112.3	46%	0.462	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-62.3	151.4	173.2	57.8	0	0	0	0	109.6	E29 C30 F31	S27-E29 PolarHBondContact O-N 2.71Å; S27-C30 PolarHBondContact O-N 3.36Å; S27-C30 WeakPolarHBondContact OG-CB 3.36Å; S27-C30 PolarHBondContact OG-N 3.27Å; S27-F31 PolarHBondContact O-N 3.11Å; S27-F31 VanDerWaalsContact O-N 3.1Å
28	L	88.5	Confident	73	Confident	56 Å²	56	103.9 Å²	103.9	29%	0.293	51%	0.506	S	S	.	.	H	α-helix	trans	-60.4	-32.6	176.9	-173.2	63.7	0	0	0	111.7	F31 T32 R111 A115 F177	L28-F31 WeakPolarHBondContact O-CB 3.45Å; L28-F31 PolarHBondContact O-N 3.1Å; L28-T32 PolarHBondContact O-N 2.92Å; L28-T32 PolarHBondContact O-OG1 3.45Å; L28-R111 HydrophobicContact CD1-CG 4.28Å; L28-A115 HydrophobicContact CD1-CB 3.98Å; L28-F177 HydrophobicContact CD1-CE1 4.12Å; L28-F177 HydrophobicContact CD1-CZ 3.81Å
29	E	88.2	Confident	75.4	Confident	145 Å²	145	98 Å²	98	68%	0.678	48%	0.475	S	S	*	.	H	α-helix	trans	-62.6	-50.1	175.6	-65.3	174.4	166	0	0	111.9	S27 F31 T32 E33	S27-E29 PolarHBondContact O-N 2.71Å; E29-F31 PolarHBondContact O-N 3.47Å; E29-T32 WeakPolarHBondContact CA-OG1 3.31Å; E29-T32 PolarHBondContact O-N 3.37Å; E29-T32 PolarHBondContact O-OG1 2.89Å; E29-E33 WeakPolarHBondContact O-CG 3.46Å; E29-E33 PolarHBondContact O-N 3.12Å
30	C	89.4	Confident	77.5	Confident	40 Å²	40	94.6 Å²	94.6	27%	0.27	46%	0.461	S	S	.	.	H	α-helix	trans	-61.2	-35.2	176.4	177.4	0	0	0	0	111.3	S27 E33 E34	S27-C30 PolarHBondContact O-N 3.36Å; S27-C30 WeakPolarHBondContact OG-CB 3.36Å; S27-C30 PolarHBondContact OG-N 3.27Å; C30-E33 PolarHBondContact O-N 3.22Å; C30-E34 WeakPolarHBondContact O-CG 3.42Å; C30-E34 PolarHBondContact O-N 3.04Å
31	F	92	Very high	79.6	Confident	4 Å²	4	86.7 Å²	86.7	2%	0.018	44%	0.444	C	S	.	.	H	α-helix	trans	-63.9	-42.4	173.8	180	-89.4	0	0	0	112.5	S27 L28 E29 M35 P57 C58 A115 F177 L180	S27-F31 PolarHBondContact O-N 3.11Å; S27-F31 VanDerWaalsContact O-N 3.1Å; L28-F31 WeakPolarHBondContact O-CB 3.45Å; L28-F31 PolarHBondContact O-N 3.1Å; E29-F31 PolarHBondContact O-N 3.47Å; F31-M35 WeakPolarHBondContact O-CB 3.38Å; F31-M35 PolarHBondContact O-N 3.02Å; F31-P57 HydrophobicContact CD2-CB 3.69Å; F31-P57 HydrophobicContact CD2-CG 4.04Å; F31-P57 HydrophobicContact CE1-CG 4.32Å; F31-P57 HydrophobicContact CE2-CB 3.53Å; F31-P57 HydrophobicContact CE2-CG 3.49Å; F31-P57 VanDerWaalsContact CE2-CG 3.49Å; F31-P57 HydrophobicContact CG-CB 4.49Å; F31-P57 HydrophobicContact CZ-CB 4.23Å; F31-P57 HydrophobicContact CZ-CG 3.67Å; F31-C58 HydrophobicContact CE2-CB 3.73Å; F31-C58 HydrophobicContact CZ-CB 4.15Å; F31-A115 HydrophobicContact CD1-CB 4.06Å; F31-A115 HydrophobicContact CD2-CB 3.99Å; F31-A115 HydrophobicContact CE1-CB 4.28Å; F31-A115 HydrophobicContact CE2-CB 4.21Å; F31-A115 HydrophobicContact CG-CB 3.91Å; F31-A115 HydrophobicContact CZ-CB 4.34Å; F31-F177 HydrophobicContact CD1-CD1 4.29Å; F31-F177 AromaticContact CD1-CE1 3.71Å; F31-F177 HydrophobicContact CD1-CE1 3.71Å; F31-F177 HydrophobicContact CD1-CE2 4.28Å; F31-F177 AromaticContact CD1-CZ 3.72Å; F31-F177 HydrophobicContact CD1-CZ 3.72Å; F31-F177 AromaticContact CE1-CD1 3.79Å; F31-F177 HydrophobicContact CE1-CD1 3.79Å; F31-F177 AromaticContact CE1-CD2 3.76Å; F31-F177 HydrophobicContact CE1-CD2 3.76Å; F31-F177 AromaticContact CE1-CE1 3.56Å; F31-F177 HydrophobicContact CE1-CE1 3.56Å; F31-F177 AromaticContact CE1-CE2 3.55Å; F31-F177 HydrophobicContact CE1-CE2 3.55Å; F31-F177 AromaticContact CE1-CG 3.89Å; F31-F177 HydrophobicContact CE1-CG 3.89Å; F31-F177 AromaticContact CE1-CZ 3.43Å; F31-F177 HydrophobicContact CE1-CZ 3.43Å; F31-F177 VanDerWaalsContact CE1-CZ 3.43Å; F31-F177 HydrophobicContact CZ-CD2 4.28Å; F31-F177 HydrophobicContact CZ-CE2 4.14Å; F31-F177 HydrophobicContact CZ-CZ 4.39Å; F31-L180 HydrophobicContact CE1-CD1 4.23Å; F31-L180 HydrophobicContact CZ-CD1 3.87Å
32	T	91.6	Very high	81.7	Confident	42 Å²	42	79.1 Å²	79.1	26%	0.258	41%	0.41	S	S	.	.	H	α-helix	trans	-69.3	-33.9	178.2	48.1	0	0	0	0	112.8	L28 E29 M35 H36 F177	L28-T32 PolarHBondContact O-N 2.92Å; L28-T32 PolarHBondContact O-OG1 3.45Å; E29-T32 WeakPolarHBondContact CA-OG1 3.31Å; E29-T32 PolarHBondContact O-N 3.37Å; E29-T32 PolarHBondContact O-OG1 2.89Å; T32-M35 WeakPolarHBondContact O-CB 3.35Å; T32-M35 PolarHBondContact O-N 3.05Å; T32-H36 PolarHBondContact O-N 3.46Å; T32-F177 HydrophobicContact CG2-CE1 4.28Å
33	E	91.7	Very high	83.9	Confident	125 Å²	125	73.1 Å²	73.1	58%	0.584	39%	0.387	S	S	*	.	H	α-helix	trans	-65	-51.5	172.6	-69.7	170.6	175.4	0	0	110.8	E29 C30 M35 H36 D37	E29-E33 WeakPolarHBondContact O-CG 3.46Å; E29-E33 PolarHBondContact O-N 3.12Å; C30-E33 PolarHBondContact O-N 3.22Å; E33-M35 PolarHBondContact O-N 3.2Å; E33-H36 PolarHBondContact O-N 2.99Å; E33-D37 PolarHBondContact O-N 3.48Å
34	E	92.3	Very high	85.3	Confident	61 Å²	61	71.8 Å²	71.8	29%	0.285	38%	0.379	S	S	.	.	H	α-helix	trans	-58.2	-34.6	176.8	-72.8	179.9	-173.5	0	0	112.2	K26 C30 A38 P57	K26-E34 IonicContact NZ-OE1 2.9Å; K26-E34 PolarHBondContact NZ-OE1 3.31Å; K26-E34 IonicContact NZ-OE2 2.8Å; K26-E34 PolarHBondContact NZ-OE2 2.94Å; C30-E34 WeakPolarHBondContact O-CG 3.42Å; C30-E34 PolarHBondContact O-N 3.04Å; E34-A38 VanDerWaalsContact O-CB 3.31Å; E34-A38 WeakPolarHBondContact O-CB 3.38Å; E34-A38 PolarHBondContact O-N 3.06Å; E34-P57 HydrophobicContact CB-CB 3.81Å
35	M	93	Very high	85.9	Confident	18 Å²	18	66 Å²	66	9%	0.089	36%	0.362	C	S	.	.	H	α-helix	trans	-64.5	-46.6	174	172.1	-171.4	81.7	0	0	111.9	F31 T32 E33 A38 L39 P57 F177 D179 L180	F31-M35 WeakPolarHBondContact O-CB 3.38Å; F31-M35 PolarHBondContact O-N 3.02Å; T32-M35 WeakPolarHBondContact O-CB 3.35Å; T32-M35 PolarHBondContact O-N 3.05Å; E33-M35 PolarHBondContact O-N 3.2Å; M35-A38 PolarHBondContact O-N 3Å; M35-L39 PolarHBondContact O-N 3.28Å; M35-P57 HydrophobicContact CB-CG 4.17Å; M35-F177 HydrophobicContact SD-CB 3.92Å; M35-F177 HydrophobicContact SD-CD1 4.16Å; M35-F177 HydrophobicContact SD-CG 4.4Å; M35-D179 HydrophobicContact CE-CB 3.87Å; M35-D179 WeakPolarHBondContact CE-OD2 3.17Å; M35-D179 HydrophobicContact CG-CB 3.64Å; M35-D179 HydrophobicContact SD-CB 3.81Å; M35-L180 HydrophobicContact CB-CD2 4.15Å; M35-L180 HydrophobicContact CB-CG 4.5Å; M35-L180 HydrophobicContact CG-CD2 3.65Å; M35-L180 HydrophobicContact CG-CG 3.72Å; M35-L180 HydrophobicContact SD-CG 3.98Å
36	H	91.5	Very high	85.7	Confident	105 Å²	105	71 Å²	71	49%	0.486	38%	0.376	S	S	.	.	H	α-helix	trans	-66.1	-42.8	-179.4	-169.7	64.7	0	0	0	111.3	T32 E33 A38 L39 Q40 D179	T32-H36 PolarHBondContact O-N 3.46Å; E33-H36 PolarHBondContact O-N 2.99Å; H36-A38 VanDerWaalsContact C-N 3.29Å; H36-A38 PolarHBondContact O-N 3.01Å; H36-L39 WeakPolarHBondContact O-CB 3.39Å; H36-L39 PolarHBondContact O-N 2.97Å; H36-L39 VanDerWaalsContact O-N 3.08Å; H36-Q40 PolarHBondContact O-N 3.32Å; H36-D179 IonicContact ND1-OD2 2.78Å
37	D	90.9	Very high	84.9	Confident	100 Å²	100	74 Å²	74	54%	0.535	40%	0.397	S	S	.	.	H	α-helix	trans	-58.3	-42.8	174	-69.8	-13.5	0	0	0	111.2	E33 L39 Q40 A41	E33-D37 PolarHBondContact O-N 3.48Å; D37-L39 VanDerWaalsContact C-N 3.32Å; D37-L39 PolarHBondContact O-N 3.44Å; D37-Q40 PolarHBondContact O-N 2.71Å; D37-A41 WeakPolarHBondContact O-CB 3.4Å; D37-A41 PolarHBondContact O-N 3.29Å
38	A	90.4	Very high	83.1	Confident	8 Å²	8	73.1 Å²	73.1	7%	0.066	39%	0.393	C	S	.	.	H	α-helix	trans	-64.4	-35.9	176.2	0	0	0	0	0	112.4	E34 M35 H36 S42 V54 I183	E34-A38 VanDerWaalsContact O-CB 3.31Å; E34-A38 WeakPolarHBondContact O-CB 3.38Å; E34-A38 PolarHBondContact O-N 3.06Å; M35-A38 PolarHBondContact O-N 3Å; H36-A38 VanDerWaalsContact C-N 3.29Å; H36-A38 PolarHBondContact O-N 3.01Å; A38-S42 PolarHBondContact O-N 3.3Å; A38-V54 HydrophobicContact CB-CG1 3.95Å; A38-V54 VanDerWaalsContact O-CG1 3.25Å; A38-V54 WeakPolarHBondContact O-CG1 3.38Å; A38-I183 HydrophobicContact CB-CD1 3.93Å
39	L	90.8	Very high	80.9	Confident	22 Å²	22	73.5 Å²	73.5	12%	0.115	41%	0.41	C	S	.	.	H	α-helix	trans	-67	-49.3	174.8	179.4	64.3	0	0	0	110.5	M35 H36 D37 A41 S42 L43 D179 V182 I183	M35-L39 PolarHBondContact O-N 3.28Å; H36-L39 WeakPolarHBondContact O-CB 3.39Å; H36-L39 PolarHBondContact O-N 2.97Å; H36-L39 VanDerWaalsContact O-N 3.08Å; D37-L39 VanDerWaalsContact C-N 3.32Å; D37-L39 PolarHBondContact O-N 3.44Å; L39-A41 VanDerWaalsContact C-N 3.31Å; L39-A41 PolarHBondContact O-N 3.1Å; L39-S42 CarbonylContact O-C 3.46Å; L39-S42 WeakPolarHBondContact O-CA 3.3Å; L39-S42 WeakPolarHBondContact O-CB 3.13Å; L39-S42 PolarHBondContact O-N 2.9Å; L39-L43 HydrophobicContact CG-CD1 4.4Å; L39-L43 WeakPolarHBondContact O-CG 3.5Å; L39-L43 PolarHBondContact O-N 2.97Å; L39-D179 HydrophobicContact CB-CB 4.17Å; L39-D179 HydrophobicContact CD2-CB 3.85Å; L39-D179 VanDerWaalsContact CD2-CG 3.44Å; L39-D179 HydrophobicContact CG-CB 4.47Å; L39-V182 HydrophobicContact CD1-CB 4.35Å; L39-V182 HydrophobicContact CD1-CG1 3.98Å; L39-I183 HydrophobicContact CB-CD1 4.14Å; L39-I183 HydrophobicContact CB-CG1 4.33Å; L39-I183 HydrophobicContact CD1-CG1 3.85Å
40	Q	89.8	Confident	78.6	Confident	106 Å²	106	76.5 Å²	76.5	50%	0.495	43%	0.425	S	S	.	.	H	α-helix	trans	-57.3	-44.9	178.3	-174.5	175.2	-10.4	0	0	111.3	H36 D37 S42 L43 H44	H36-Q40 PolarHBondContact O-N 3.32Å; D37-Q40 PolarHBondContact O-N 2.71Å; Q40-S42 PolarHBondContact O-N 3.48Å; Q40-L43 PolarHBondContact O-N 3.31Å; Q40-H44 PolarHBondContact O-N 3.13Å; Q40-H44 VanDerWaalsContact O-N 3.13Å
41	A	87.9	Confident	76.6	Confident	57 Å²	57	79.1 Å²	79.1	47%	0.471	45%	0.449	S	S	.	.	H	α-helix	trans	-61.2	-31.7	173.5	0	0	0	0	0	112.8	D37 L39	D37-A41 WeakPolarHBondContact O-CB 3.4Å; D37-A41 PolarHBondContact O-N 3.29Å; L39-A41 VanDerWaalsContact C-N 3.31Å; L39-A41 PolarHBondContact O-N 3.1Å
42	S	86.8	Confident	74.9	Confident	14 Å²	14	82 Å²	82	10%	0.098	47%	0.473	C	S	.	.	H	α-helix	trans	-77	-18.2	174.4	-169.7	0	0	0	0	114	A38 L39 Q40 K187	A38-S42 PolarHBondContact O-N 3.3Å; L39-S42 CarbonylContact O-C 3.46Å; L39-S42 WeakPolarHBondContact O-CA 3.3Å; L39-S42 WeakPolarHBondContact O-CB 3.13Å; L39-S42 PolarHBondContact O-N 2.9Å; Q40-S42 PolarHBondContact O-N 3.48Å; S42-K187 PolarHBondContact OG-NZ 3.02Å
43	L	85.8	Confident	73.8	Confident	71 Å²	71	87.1 Å²	87.1	37%	0.372	49%	0.494	S	S	.	.	H	α-helix	trans	-87.6	-34.8	179.2	-66.6	-179.2	0	0	0	112.4	L39 Q40 P45	L39-L43 HydrophobicContact CG-CD1 4.4Å; L39-L43 WeakPolarHBondContact O-CG 3.5Å; L39-L43 PolarHBondContact O-N 2.97Å; Q40-L43 PolarHBondContact O-N 3.31Å; L43-P45 VanDerWaalsContact C-CD 3.4Å; L43-P45 WeakPolarHBondContact O-CD 3.38Å
44	H	79.1	Confident	73.4	Confident	119 Å²	119	82.1 Å²	82.1	55%	0.551	47%	0.472	S	S	*	.			trans	-114.8	74.2	-177.4	-64.9	-77.2	0	0	0	111.3	Q40 D46	Q40-H44 PolarHBondContact O-N 3.13Å; Q40-H44 VanDerWaalsContact O-N 3.13Å; H44-D46 PolarHBondContact O-N 3.05Å
45	P	65	Low	73.1	Confident	79 Å²	79	87.8 Å²	87.8	51%	0.513	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-68.5	-17.7	178.3	29.6	-34.9	0	0	0	113.2	L43	L43-P45 VanDerWaalsContact C-CD 3.4Å; L43-P45 WeakPolarHBondContact O-CD 3.38Å
46	D	57.2	Low	73.1	Confident	157 Å²	157	87.9 Å²	87.9	84%	0.84	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-80.3	-18.3	-172.4	-59.1	-41	0	0	0	114	H44	H44-D46 PolarHBondContact O-N 3.05Å
47	D	53.4	Low	73.1	Confident	160 Å²	160	83.9 Å²	83.9	86%	0.856	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-89.7	-10.4	-180	-143.6	12.1	0	0	0	112.5
48	A	49.9	Very low	73.2	Confident	46 Å²	46	79.4 Å²	79.4	38%	0.38	46%	0.457	S	S	.	.	S	Bend	trans	-124.5	95.2	177.1	0	0	0	0	0	107.8	A52	A48-A52 HydrophobicContact CB-CB 3.59Å
49	G	42.9	Very low	73.4	Confident	64 Å²	64	82 Å²	82	66%	0.66	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.8	150.9	-173.2	0	0	0	0	0	115.4	A51 A52	G49-A51 PolarHBondContact O-N 2.92Å; G49-A51 VanDerWaalsContact O-N 3.1Å; G49-A52 PolarHBondContact O-N 3.31Å
50	E	40.4	Very low	73.7	Confident	209 Å²	209	81 Å²	81	98%	0.977	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-28.8	111.5	-174.9	-87.1	178.1	136.1	0	0	113.4
51	A	47.3	Very low	74	Confident	94 Å²	94	76.2 Å²	76.2	78%	0.777	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.9	22.8	175.3	0	0	0	0	0	119.2	G49 Q53	G49-A51 PolarHBondContact O-N 2.92Å; G49-A51 VanDerWaalsContact O-N 3.1Å; A51-Q53 PolarHBondContact O-N 3.03Å
52	A	54.8	Low	74.4	Confident	65 Å²	65	73.5 Å²	73.5	54%	0.537	42%	0.423	S	S	.	.			trans	-66	93.9	160.6	0	0	0	0	0	111	A48 G49 V54	A48-A52 HydrophobicContact CB-CB 3.59Å; G49-A52 PolarHBondContact O-N 3.31Å; A52-V54 PolarHBondContact O-N 3.03Å
53	Q	68.3	Low	74.7	Confident	149 Å²	149	72.9 Å²	72.9	70%	0.696	42%	0.419	S	S	*	.			trans	-67.4	115.4	173.3	-70.9	-176.6	-2.5	0	0	109.5	A51 K55	A51-Q53 PolarHBondContact O-N 3.03Å; Q53-K55 PolarHBondContact O-N 3.37Å; Q53-K55 VanDerWaalsContact O-N 3.12Å
54	V	83.8	Confident	74.9	Confident	20 Å²	20	72 Å²	72	12%	0.121	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-56.9	116.8	173.8	179.1	0	0	0	0	109	A38 A52 F83 I183	A38-V54 HydrophobicContact CB-CG1 3.95Å; A38-V54 VanDerWaalsContact O-CG1 3.25Å; A38-V54 WeakPolarHBondContact O-CG1 3.38Å; A52-V54 PolarHBondContact O-N 3.03Å; V54-F83 HydrophobicContact CB-CE1 4.3Å; V54-F83 HydrophobicContact CB-CZ 4.38Å; V54-F83 WeakPolarHBondContact O-CE1 3.2Å; V54-I183 HydrophobicContact CG1-CD1 4.44Å; V54-I183 HydrophobicContact CG1-CG2 3.97Å
55	K	87.2	Confident	75.2	Confident	181 Å²	181	67.7 Å²	67.7	79%	0.787	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-93.3	128.7	179.5	-172	176	179.5	-179.8	0	109.7	Q53	Q53-K55 PolarHBondContact O-N 3.37Å; Q53-K55 VanDerWaalsContact O-N 3.12Å
56	L	91.4	Very high	75.9	Confident	20 Å²	20	66.1 Å²	66.1	11%	0.105	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-81.5	148.2	176.2	-57.3	175.8	0	0	0	110.8	C58 L60 F83 L180 I183 L184	L56-C58 VanDerWaalsContact C-N 3.3Å; L56-C58 PolarHBondContact O-N 2.91Å; L56-L60 HydrophobicContact CD1-CD1 3.46Å; L56-L60 VanDerWaalsContact CD1-CD1 3.46Å; L56-L60 HydrophobicContact CD1-CG 4.01Å; L56-F83 HydrophobicContact CD1-CB 4.45Å; L56-F83 HydrophobicContact CD1-CD1 3.71Å; L56-F83 HydrophobicContact CD1-CE1 4.48Å; L56-F83 HydrophobicContact CD2-CD1 4.28Å; L56-F83 HydrophobicContact CD2-CE1 4.27Å; L56-F83 HydrophobicContact CG-CD1 3.8Å; L56-F83 HydrophobicContact CG-CE1 4.2Å; L56-L180 HydrophobicContact CD2-CD2 3.95Å; L56-I183 HydrophobicContact CD2-CD1 4.27Å; L56-I183 HydrophobicContact CD2-CG2 4.01Å; L56-L184 HydrophobicContact CD1-CD2 4.13Å
57	P	92.4	Very high	77.1	Confident	21 Å²	21	61.6 Å²	61.6	14%	0.136	37%	0.366	C	S	.	.	S	Bend	trans	-73.5	-19.4	-179	29.5	-36.2	0	0	0	113.7	F31 E34 M35 L180	F31-P57 HydrophobicContact CD2-CB 3.69Å; F31-P57 HydrophobicContact CD2-CG 4.04Å; F31-P57 HydrophobicContact CE1-CG 4.32Å; F31-P57 HydrophobicContact CE2-CB 3.53Å; F31-P57 HydrophobicContact CE2-CG 3.49Å; F31-P57 VanDerWaalsContact CE2-CG 3.49Å; F31-P57 HydrophobicContact CG-CB 4.49Å; F31-P57 HydrophobicContact CZ-CB 4.23Å; F31-P57 HydrophobicContact CZ-CG 3.67Å; E34-P57 HydrophobicContact CB-CB 3.81Å; M35-P57 HydrophobicContact CB-CG 4.17Å; P57-L180 HydrophobicContact CG-CD1 4.28Å; P57-L180 HydrophobicContact CG-CD2 3.91Å
58	C	92.9	Very high	78.4	Confident	6 Å²	6	55.5 Å²	55.5	4%	0.041	34%	0.335	C	S	.	.	S	Bend	trans	-119.3	153.1	173.1	59.6	0	0	0	0	112.3	F31 L56 V114	F31-C58 HydrophobicContact CE2-CB 3.73Å; F31-C58 HydrophobicContact CZ-CB 4.15Å; L56-C58 VanDerWaalsContact C-N 3.3Å; L56-C58 PolarHBondContact O-N 2.91Å; C58-V114 WeakPolarHBondContact CB-O 3.4Å
59	P	94.8	Very high	80	Confident	63 Å²	63	57 Å²	57	41%	0.409	34%	0.336	S	S	.	.			trans	-72.9	134	175.6	29.6	-33.3	0	0	0	110.9	G118 L119	P59-G118 VanDerWaalsContact O-CA 3.23Å; P59-G118 WeakPolarHBondContact O-CA 3.38Å; P59-L119 PolarHBondContact O-N 3.38Å; P59-L119 VanDerWaalsContact O-N 3.1Å
60	L	96.9	Very high	82	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.7	165.3	-59.4	-178.2	0	0	0	109.9	L56 F83 V84 H85 L119 F168 F172 L184	L56-L60 HydrophobicContact CD1-CD1 3.46Å; L56-L60 VanDerWaalsContact CD1-CD1 3.46Å; L56-L60 HydrophobicContact CD1-CG 4.01Å; L60-F83 WeakPolarHBondContact CB-O 3.23Å; L60-V84 HydrophobicContact CB-CB 4.45Å; L60-V84 HydrophobicContact CB-CG2 3.8Å; L60-V84 HydrophobicContact CD1-CG2 4.21Å; L60-V84 WeakPolarHBondContact O-CA 3.31Å; L60-H85 PolarHBondContact O-N 3.2Å; L60-H85 PolarHBondContact O-ND1 3.12Å; L60-L119 CarbonylContact C-O 3.57Å; L60-L119 WeakPolarHBondContact CA-O 3.45Å; L60-L119 HydrophobicContact CD2-CB 3.72Å; L60-L119 HydrophobicContact CD2-CD1 4.34Å; L60-L119 HydrophobicContact CD2-CG 4.33Å; L60-F168 HydrophobicContact CB-CE1 4.24Å; L60-F168 HydrophobicContact CB-CZ 4.24Å; L60-F168 HydrophobicContact CD1-CD1 4.5Å; L60-F168 HydrophobicContact CD2-CD1 3.84Å; L60-F168 HydrophobicContact CD2-CE1 3.76Å; L60-F168 HydrophobicContact CG-CE1 4.44Å; L60-F172 HydrophobicContact CD1-CE2 4.28Å; L60-F172 HydrophobicContact CD2-CE2 4.01Å; L60-F172 HydrophobicContact CD2-CZ 3.66Å; L60-L184 HydrophobicContact CD1-CD1 3.88Å; L60-L184 HydrophobicContact CD1-CD2 4.06Å
61	A	96.4	Very high	84.1	Confident	4 Å²	4	56 Å²	56	3%	0.033	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.9	-178.2	0	0	0	0	0	112.4	H85 L87 F93 L119 A120 V121 F168	A61-H85 CarbonylContact C-O 3.53Å; A61-H85 WeakPolarHBondContact CA-O 3.44Å; A61-L87 HydrophobicContact CB-CD1 3.65Å; A61-L87 HydrophobicContact CB-CD2 4.05Å; A61-L87 HydrophobicContact CB-CG 3.8Å; A61-F93 HydrophobicContact CB-CD2 3.85Å; A61-F93 HydrophobicContact CB-CE2 3.64Å; A61-F93 HydrophobicContact CB-CZ 4.33Å; A61-L119 PolarHBondContact N-O 3.08Å; A61-A120 HydrophobicContact CB-CB 4.13Å; A61-A120 WeakPolarHBondContact O-CA 3.25Å; A61-V121 PolarHBondContact O-N 3.38Å; A61-V121 VanDerWaalsContact O-N 3.07Å; A61-F168 WeakPolarHBondContact O-CZ 3.23Å
62	M	95.3	Very high	85.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	135	-178.5	174.4	178.6	84.7	0	0	110.5	E64 G75 R76 V79 V84 H85 N86 L87 V121 D123	M62-E64 HydrophobicContact CE-CB 4.16Å; M62-G75 VanDerWaalsContact SD-CA 3.53Å; M62-R76 HydrophobicContact CE-CG 4.48Å; M62-V79 HydrophobicContact CE-CG2 3.73Å; M62-V84 HydrophobicContact CB-CG1 3.52Å; M62-H85 PolarHBondContact N-O 3.26Å; M62-N86 CarbonylContact O-C 3.6Å; M62-N86 WeakPolarHBondContact O-CA 3.1Å; M62-N86 PolarHBondContact O-OD1 3.09Å; M62-L87 PolarHBondContact O-N 2.76Å; M62-V121 VanDerWaalsContact CA-O 3.25Å; M62-V121 WeakPolarHBondContact CA-O 3.5Å; M62-V121 HydrophobicContact CB-CG2 3.98Å; M62-V121 HydrophobicContact CG-CG2 3.9Å; M62-V121 HydrophobicContact SD-CG2 4.35Å; M62-D123 HydrophobicContact CE-CB 4.21Å; M62-D123 HydrophobicContact CG-CB 3.78Å; M62-D123 HydrophobicContact SD-CB 3.49Å; M62-D123 WeakPolarHBondContact SD-CB 3.3Å
63	W	93.8	Very high	87.6	Confident	1 Å²	1	58.2 Å²	58.2	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118	162.1	-68	-84.2	0	0	0	108.9	L87 R88 Q91 F93 I97 A120 V121 I122 D123 M137	W63-L87 HydrophobicContact CD2-CB 4.29Å; W63-L87 HydrophobicContact CD2-CD1 3.89Å; W63-L87 HydrophobicContact CE3-CD1 4.2Å; W63-L87 HydrophobicContact CG-CB 4.08Å; W63-L87 HydrophobicContact CH2-CD1 3.99Å; W63-L87 HydrophobicContact CZ2-CD1 3.64Å; W63-L87 HydrophobicContact CZ3-CD1 4.24Å; W63-R88 PolarHBondContact NE1-O 3.25Å; W63-Q91 WeakPolarHBondContact CZ2-O 3.27Å; W63-Q91 PolarHBondContact NE1-O 3.39Å; W63-F93 HydrophobicContact CH2-CB 3.56Å; W63-F93 HydrophobicContact CZ2-CB 3.91Å; W63-I97 HydrophobicContact CH2-CD1 3.71Å; W63-I97 HydrophobicContact CH2-CG1 4Å; W63-I97 HydrophobicContact CH2-CG2 4.37Å; W63-I97 HydrophobicContact CZ3-CD1 4.24Å; W63-I97 HydrophobicContact CZ3-CG1 4.11Å; W63-I97 HydrophobicContact CZ3-CG2 3.82Å; W63-A120 HydrophobicContact CE3-CB 4.4Å; W63-A120 HydrophobicContact CH2-CB 4.23Å; W63-A120 HydrophobicContact CZ3-CB 3.69Å; W63-V121 PolarHBondContact N-O 3Å; W63-I122 HydrophobicContact CE3-CG1 4.02Å; W63-D123 PolarHBondContact O-N 3.28Å; W63-M137 HydrophobicContact CB-CG 4.11Å; W63-M137 HydrophobicContact CB-SD 3.58Å; W63-M137 VanDerWaalsContact CB-SD 3.58Å; W63-M137 HydrophobicContact CD2-CB 4.11Å; W63-M137 HydrophobicContact CD2-CG 3.82Å; W63-M137 HydrophobicContact CD2-SD 4.13Å; W63-M137 HydrophobicContact CE3-CB 4.34Å; W63-M137 HydrophobicContact CE3-CG 4.36Å; W63-M137 HydrophobicContact CE3-SD 4.37Å; W63-M137 HydrophobicContact CG-CB 4.5Å; W63-M137 HydrophobicContact CG-CG 3.7Å; W63-M137 HydrophobicContact CG-SD 3.83Å; W63-M137 HydrophobicContact CZ2-CB 4.46Å
64	E	89.3	Confident	88.8	Confident	53 Å²	53	51.9 Å²	51.9	25%	0.248	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.5	175.8	-172.5	-178.7	157.3	0	0	110.4	M62 R76 N86	M62-E64 HydrophobicContact CE-CB 4.16Å; E64-R76 VanDerWaalsContact OE1-CD 3.24Å; E64-R76 WeakPolarHBondContact OE1-CD 3.43Å; E64-R76 IonicContact OE1-CZ 3.88Å; E64-R76 IonicContact OE1-NE 2.77Å; E64-R76 PolarHBondContact OE1-NE 3.02Å; E64-R76 IonicContact OE1-NH1 3.38Å; E64-R76 PolarHBondContact OE1-NH1 3.22Å; E64-R76 IonicContact OE1-NH2 2.78Å; E64-R76 PolarHBondContact OE1-NH2 3.48Å; E64-N86 WeakPolarHBondContact CB-ND2 3.32Å; E64-N86 PolarHBondContact OE2-ND2 3.44Å
65	L	84.8	Confident	89.2	Confident	29 Å²	29	51 Å²	51	15%	0.152	26%	0.259	C	S	.	.			trans	-98.1	-5.2	177.8	-56.2	-176.8	0	0	0	113.8	H67 L89 I122 D123 C124 T132	L65-H67 PolarHBondContact O-CD2 2.95Å; L65-H67 PolarHBondContact O-N 3.21Å; L65-L89 HydrophobicContact CD2-CD2 3.69Å; L65-I122 HydrophobicContact CD1-CG2 4.42Å; L65-D123 PolarHBondContact N-O 3.03Å; L65-C124 HydrophobicContact CD1-CB 3.71Å; L65-T132 HydrophobicContact CD1-CG2 3.29Å
66	G	81.6	Confident	89.5	Confident	45 Å²	45	44.1 Å²	44.1	46%	0.464	23%	0.229	S	C	.	.	S	Bend	trans	75.6	6.3	-179.8	0	0	0	0	0	114.8	C68	G66-C68 VanDerWaalsContact C-N 3.33Å; G66-C68 PolarHBondContact O-N 3.39Å
67	H	80.8	Confident	89.6	Confident	63 Å²	63	46.1 Å²	46.1	29%	0.292	24%	0.236	S	C	.	.			trans	-78.2	-14.6	-175	-61.6	176.2	0	0	0	114.4	L65 K128	L65-H67 PolarHBondContact O-CD2 2.95Å; L65-H67 PolarHBondContact O-N 3.21Å; H67-K128 HydrophobicContact CB-CD 4.32Å
68	C	81.2	Confident	89.7	Confident	31 Å²	31	45.1 Å²	45.1	21%	0.209	23%	0.23	C	C	.	.	S	Bend	trans	-102.6	153.3	-176.8	-61.2	0	0	0	0	111.7	G66 P70 C73 R76 D123	G66-C68 VanDerWaalsContact C-N 3.33Å; G66-C68 PolarHBondContact O-N 3.39Å; C68-P70 WeakPolarHBondContact O-CD 3.2Å; C68-C73 HydrophobicContact CB-CB 4Å; C68-R76 PolarHBondContact O-NH2 3.34Å; C68-D123 PolarHBondContact SG-OD1 3.22Å; C68-D123 VanDerWaalsContact SG-OD1 3.41Å
69	D	84.3	Confident	89.7	Confident	77 Å²	77	47 Å²	47	41%	0.412	24%	0.241	S	C	.	.			trans	-61.9	122.1	169	174.3	-5	0	0	0	110.1	K71 R72 C73	D69-K71 PolarHBondContact O-N 2.83Å; D69-K71 VanDerWaalsContact O-N 3.13Å; D69-K71 PolarHBondContact OD1-N 3.1Å; D69-R72 HydrophobicContact CB-CB 4.34Å; D69-R72 PolarHBondContact O-N 3.08Å; D69-R72 VanDerWaalsContact O-N 3.17Å; D69-R72 IonicContact OD2-NE 3.04Å; D69-C73 WeakPolarHBondContact O-CB 3.48Å; D69-C73 PolarHBondContact O-N 2.95Å
70	P	83.4	Confident	89.6	Confident	67 Å²	67	51.2 Å²	51.2	44%	0.435	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.6	-179.5	-8.6	6.6	0	0	0	115.1	C68 R76 R80	C68-P70 WeakPolarHBondContact O-CD 3.2Å; P70-R76 VanDerWaalsContact CB-NH1 3.27Å; P70-R76 VanDerWaalsContact CG-NH1 3.26Å; P70-R80 PolarHBondContact O-NH2 3.49Å
71	K	84.6	Confident	89.4	Confident	186 Å²	186	55.3 Å²	55.3	81%	0.809	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-35.8	-177.8	-67.7	-176	179.5	178.5	0	111.8	D69	D69-K71 PolarHBondContact O-N 2.83Å; D69-K71 VanDerWaalsContact O-N 3.13Å; D69-K71 PolarHBondContact OD1-N 3.1Å
72	R	86.3	Confident	89.2	Confident	196 Å²	196	57.2 Å²	57.2	74%	0.74	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-21.2	-177.4	-61.8	-178.1	-175.7	-152.3	-0.8	113.4	D69 T74	D69-R72 HydrophobicContact CB-CB 4.34Å; D69-R72 PolarHBondContact O-N 3.08Å; D69-R72 VanDerWaalsContact O-N 3.17Å; D69-R72 IonicContact OD2-NE 3.04Å; R72-T74 PolarHBondContact O-N 2.96Å
73	C	90.6	Very high	89.1	Confident	10 Å²	10	58 Å²	58	7%	0.068	29%	0.29	C	S	.	.			trans	-62.4	117.6	-179.2	177.1	0	0	0	0	111.7	C68 D69 G75 R76 K77 D123	C68-C73 HydrophobicContact CB-CB 4Å; D69-C73 WeakPolarHBondContact O-CB 3.48Å; D69-C73 PolarHBondContact O-N 2.95Å; C73-G75 VanDerWaalsContact C-N 3.34Å; C73-G75 PolarHBondContact SG-N 3.06Å; C73-G75 VanDerWaalsContact SG-N 3.41Å; C73-R76 HydrophobicContact CB-CB 4.12Å; C73-R76 HydrophobicContact CB-CG 4.14Å; C73-R76 PolarHBondContact SG-N 3.49Å; C73-K77 PolarHBondContact O-N 2.93Å; C73-K77 VanDerWaalsContact O-N 3.13Å; C73-D123 PolarHBondContact SG-OD1 3.44Å; C73-D123 VanDerWaalsContact SG-OD1 3.41Å; C73-D123 PolarHBondContact SG-OD2 3.43Å
74	T	92.6	Very high	89.2	Confident	16 Å²	16	58.2 Å²	58.2	10%	0.098	29%	0.292	C	S	.	.	H	α-helix	trans	-67.7	-36.5	178.1	58.9	0	0	0	0	111.4	R72 K77 L78 S163 C164 V165 F188 W190	R72-T74 PolarHBondContact O-N 2.96Å; T74-K77 WeakPolarHBondContact O-CB 3.22Å; T74-K77 PolarHBondContact O-N 3.14Å; T74-L78 WeakPolarHBondContact O-CG 3.37Å; T74-L78 PolarHBondContact O-N 2.95Å; T74-L78 VanDerWaalsContact O-N 3.07Å; T74-S163 WeakPolarHBondContact OG1-CB 3.45Å; T74-C164 PolarHBondContact OG1-N 3.33Å; T74-V165 HydrophobicContact CG2-CG1 3.96Å; T74-F188 HydrophobicContact CG2-CD1 4.3Å; T74-F188 HydrophobicContact CG2-CE1 3.67Å; T74-F188 HydrophobicContact CG2-CZ 4.31Å; T74-W190 HydrophobicContact CG2-CH2 4.23Å; T74-W190 HydrophobicContact CG2-CZ2 3.89Å
75	G	92.7	Very high	89.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-53.3	173.9	0	0	0	0	0	112.6	M62 C73 K77 L78 V79	M62-G75 VanDerWaalsContact SD-CA 3.53Å; C73-G75 VanDerWaalsContact C-N 3.34Å; C73-G75 PolarHBondContact SG-N 3.06Å; C73-G75 VanDerWaalsContact SG-N 3.41Å; G75-K77 VanDerWaalsContact C-N 3.25Å; G75-K77 PolarHBondContact O-N 3.38Å; G75-L78 WeakPolarHBondContact O-CB 3.36Å; G75-L78 PolarHBondContact O-N 3.43Å; G75-V79 PolarHBondContact O-N 3.36Å
76	R	92.6	Very high	90	Very high	38 Å²	38	63.5 Å²	63.5	14%	0.143	32%	0.318	C	S	.	.	H	α-helix	trans	-62.5	-30.9	176.4	-67.3	-168.2	-141.2	-172.3	-0.5	113.1	M62 E64 C68 P70 C73 L78 V79 R80	M62-R76 HydrophobicContact CE-CG 4.48Å; E64-R76 VanDerWaalsContact OE1-CD 3.24Å; E64-R76 WeakPolarHBondContact OE1-CD 3.43Å; E64-R76 IonicContact OE1-CZ 3.88Å; E64-R76 IonicContact OE1-NE 2.77Å; E64-R76 PolarHBondContact OE1-NE 3.02Å; E64-R76 IonicContact OE1-NH1 3.38Å; E64-R76 PolarHBondContact OE1-NH1 3.22Å; E64-R76 IonicContact OE1-NH2 2.78Å; E64-R76 PolarHBondContact OE1-NH2 3.48Å; C68-R76 PolarHBondContact O-NH2 3.34Å; P70-R76 VanDerWaalsContact CB-NH1 3.27Å; P70-R76 VanDerWaalsContact CG-NH1 3.26Å; C73-R76 HydrophobicContact CB-CB 4.12Å; C73-R76 HydrophobicContact CB-CG 4.14Å; C73-R76 PolarHBondContact SG-N 3.49Å; R76-L78 VanDerWaalsContact C-N 3.34Å; R76-V79 PolarHBondContact O-N 3.3Å; R76-R80 WeakPolarHBondContact O-CG 3.45Å; R76-R80 PolarHBondContact O-N 3.18Å; R76-R80 PolarHBondContact O-NE 2.97Å
77	K	93.5	Very high	90.6	Very high	61 Å²	61	62 Å²	62	27%	0.265	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-39.7	172.8	-168.4	-178.1	-176.8	-170.3	0	111.8	C73 T74 G75 R80 K81 K187 F188	C73-K77 PolarHBondContact O-N 2.93Å; C73-K77 VanDerWaalsContact O-N 3.13Å; T74-K77 WeakPolarHBondContact O-CB 3.22Å; T74-K77 PolarHBondContact O-N 3.14Å; G75-K77 VanDerWaalsContact C-N 3.25Å; G75-K77 PolarHBondContact O-N 3.38Å; K77-R80 PolarHBondContact O-N 3.27Å; K77-K81 PolarHBondContact O-N 3.44Å; K77-K81 VanDerWaalsContact O-N 3.12Å; K77-K187 PolarHBondContact NZ-O 3.16Å; K77-F188 HydrophobicContact CB-CE1 4.31Å; K77-F188 HydrophobicContact CB-CZ 4.2Å; K77-F188 HydrophobicContact CD-CD1 4.07Å; K77-F188 HydrophobicContact CD-CE1 3.45Å; K77-F188 VanDerWaalsContact CD-CE1 3.45Å; K77-F188 HydrophobicContact CD-CZ 3.79Å; K77-F188 HydrophobicContact CG-CE1 4.38Å; K77-F188 HydrophobicContact CG-CZ 4.33Å
78	L	94.6	Very high	91.1	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.2	-37.6	175.1	-67.8	178	0	0	0	112.3	T74 G75 R76 K81 G82 F83 V84 V165 F168 L184 F188	T74-L78 WeakPolarHBondContact O-CG 3.37Å; T74-L78 PolarHBondContact O-N 2.95Å; T74-L78 VanDerWaalsContact O-N 3.07Å; G75-L78 WeakPolarHBondContact O-CB 3.36Å; G75-L78 PolarHBondContact O-N 3.43Å; R76-L78 VanDerWaalsContact C-N 3.34Å; L78-K81 CarbonylContact O-C 3.54Å; L78-K81 PolarHBondContact O-N 3.25Å; L78-G82 PolarHBondContact O-N 3.17Å; L78-F83 HydrophobicContact CB-CB 4.44Å; L78-F83 HydrophobicContact CD2-CB 4.47Å; L78-F83 HydrophobicContact CD2-CD2 4.24Å; L78-F83 PolarHBondContact O-N 2.99Å; L78-V84 HydrophobicContact CB-CB 4.04Å; L78-V84 HydrophobicContact CB-CG2 3.54Å; L78-V84 HydrophobicContact CD1-CG2 3.86Å; L78-V84 HydrophobicContact CG-CG2 4.34Å; L78-V165 HydrophobicContact CD1-CB 4.03Å; L78-V165 HydrophobicContact CD1-CG2 4.12Å; L78-F168 HydrophobicContact CD1-CD2 4.01Å; L78-F168 HydrophobicContact CD1-CE2 4.26Å; L78-L184 HydrophobicContact CD2-CD2 3.91Å; L78-F188 HydrophobicContact CD2-CE2 3.94Å; L78-F188 HydrophobicContact CD2-CZ 4.3Å; L78-F188 HydrophobicContact CG-CE2 4.43Å; L78-F188 HydrophobicContact CG-CZ 4.36Å
79	V	94.3	Very high	91.3	Very high	47 Å²	47	70.8 Å²	70.8	29%	0.285	33%	0.331	S	S	.	.	H	α-helix	trans	-61	-48.5	172.5	177.2	0	0	0	0	110.9	M62 G75 R76 K81 G82 V84	M62-V79 HydrophobicContact CE-CG2 3.73Å; G75-V79 PolarHBondContact O-N 3.36Å; R76-V79 PolarHBondContact O-N 3.3Å; V79-K81 PolarHBondContact O-N 3.46Å; V79-G82 PolarHBondContact O-N 3.29Å; V79-V84 WeakPolarHBondContact CA-O 3.42Å; V79-V84 HydrophobicContact CG2-CB 4.07Å; V79-V84 HydrophobicContact CG2-CG1 4.03Å; V79-V84 WeakPolarHBondContact CG2-O 3.4Å
80	R	92.8	Very high	91.5	Very high	150 Å²	150	71.9 Å²	71.9	57%	0.566	34%	0.336	S	S	*	.	H	α-helix	trans	-59.7	-28.7	176.8	-76.7	-178.7	-81.8	119.2	-12.5	113.6	P70 R76 K77 G82	P70-R80 PolarHBondContact O-NH2 3.49Å; R76-R80 WeakPolarHBondContact O-CG 3.45Å; R76-R80 PolarHBondContact O-N 3.18Å; R76-R80 PolarHBondContact O-NE 2.97Å; K77-R80 PolarHBondContact O-N 3.27Å; R80-G82 VanDerWaalsContact C-N 3.35Å
81	K	91.5	Very high	91.9	Very high	88 Å²	88	72.2 Å²	72.2	38%	0.383	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.1	176.4	-76	-173	169.2	-74.8	0	113.8	K77 L78 V79 F83 K187	K77-K81 PolarHBondContact O-N 3.44Å; K77-K81 VanDerWaalsContact O-N 3.12Å; L78-K81 CarbonylContact O-C 3.54Å; L78-K81 PolarHBondContact O-N 3.25Å; V79-K81 PolarHBondContact O-N 3.46Å; K81-F83 VanDerWaalsContact C-N 3.33Å; K81-F83 HydrophobicContact CB-CD2 3.63Å; K81-F83 HydrophobicContact CB-CE2 3.84Å; K81-F83 HydrophobicContact CD-CE2 4.34Å; K81-F83 PolarHBondContact O-N 3.01Å; K81-K187 HydrophobicContact CD-CB 3.91Å; K81-K187 HydrophobicContact CD-CD 4.27Å; K81-K187 HydrophobicContact CD-CG 3.96Å
82	G	92.6	Very high	92.2	Very high	44 Å²	44	69 Å²	69	45%	0.454	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	7.2	178	0	0	0	0	0	115.3	L78 V79 R80	L78-G82 PolarHBondContact O-N 3.17Å; V79-G82 PolarHBondContact O-N 3.29Å; R80-G82 VanDerWaalsContact C-N 3.35Å
83	F	94.3	Very high	92.6	Very high	17 Å²	17	60.6 Å²	60.6	8%	0.075	28%	0.284	C	S	.	.	S	Bend	trans	-80.6	-38.1	-179.8	-70.3	-68.6	0	0	0	112.8	V54 L56 L60 L78 K81 I183 L184 K187	V54-F83 HydrophobicContact CB-CE1 4.3Å; V54-F83 HydrophobicContact CB-CZ 4.38Å; V54-F83 WeakPolarHBondContact O-CE1 3.2Å; L56-F83 HydrophobicContact CD1-CB 4.45Å; L56-F83 HydrophobicContact CD1-CD1 3.71Å; L56-F83 HydrophobicContact CD1-CE1 4.48Å; L56-F83 HydrophobicContact CD2-CD1 4.28Å; L56-F83 HydrophobicContact CD2-CE1 4.27Å; L56-F83 HydrophobicContact CG-CD1 3.8Å; L56-F83 HydrophobicContact CG-CE1 4.2Å; L60-F83 WeakPolarHBondContact CB-O 3.23Å; L78-F83 HydrophobicContact CB-CB 4.44Å; L78-F83 HydrophobicContact CD2-CB 4.47Å; L78-F83 HydrophobicContact CD2-CD2 4.24Å; L78-F83 PolarHBondContact O-N 2.99Å; K81-F83 VanDerWaalsContact C-N 3.33Å; K81-F83 HydrophobicContact CB-CD2 3.63Å; K81-F83 HydrophobicContact CB-CE2 3.84Å; K81-F83 HydrophobicContact CD-CE2 4.34Å; K81-F83 PolarHBondContact O-N 3.01Å; F83-I183 HydrophobicContact CE1-CG2 4.13Å; F83-I183 HydrophobicContact CZ-CG2 4.34Å; F83-L184 HydrophobicContact CB-CD2 4.12Å; F83-L184 HydrophobicContact CD1-CD2 4.22Å; F83-L184 HydrophobicContact CD2-CD2 4.49Å; F83-L184 HydrophobicContact CG-CD2 4.03Å; F83-K187 HydrophobicContact CE2-CD 4.26Å; F83-K187 HydrophobicContact CE2-CG 3.98Å
84	V	95.9	Very high	92.8	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.03	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.2	-171.5	175.4	0	0	0	0	110.3	L60 M62 L78 V79 F168	L60-V84 HydrophobicContact CB-CB 4.45Å; L60-V84 HydrophobicContact CB-CG2 3.8Å; L60-V84 HydrophobicContact CD1-CG2 4.21Å; L60-V84 WeakPolarHBondContact O-CA 3.31Å; M62-V84 HydrophobicContact CB-CG1 3.52Å; L78-V84 HydrophobicContact CB-CB 4.04Å; L78-V84 HydrophobicContact CB-CG2 3.54Å; L78-V84 HydrophobicContact CD1-CG2 3.86Å; L78-V84 HydrophobicContact CG-CG2 4.34Å; V79-V84 WeakPolarHBondContact CA-O 3.42Å; V79-V84 HydrophobicContact CG2-CB 4.07Å; V79-V84 HydrophobicContact CG2-CG1 4.03Å; V79-V84 WeakPolarHBondContact CG2-O 3.4Å; V84-F168 HydrophobicContact CG2-CE2 3.8Å; V84-F168 HydrophobicContact CG2-CZ 4.12Å
85	H	94.8	Very high	92.8	Very high	120 Å²	120	64.7 Å²	64.7	56%	0.556	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.5	176.4	-64.9	64.6	0	0	0	110.3	L60 A61 M62	L60-H85 PolarHBondContact O-N 3.2Å; L60-H85 PolarHBondContact O-ND1 3.12Å; A61-H85 CarbonylContact C-O 3.53Å; A61-H85 WeakPolarHBondContact CA-O 3.44Å; M62-H85 PolarHBondContact N-O 3.26Å
86	N	94.6	Very high	93	Very high	73 Å²	73	64.7 Å²	64.7	39%	0.39	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.7	175.7	-160.5	-25.4	0	0	0	110.5	M62 E64	M62-N86 CarbonylContact O-C 3.6Å; M62-N86 WeakPolarHBondContact O-CA 3.1Å; M62-N86 PolarHBondContact O-OD1 3.09Å; E64-N86 WeakPolarHBondContact CB-ND2 3.32Å; E64-N86 PolarHBondContact OE2-ND2 3.44Å
87	L	93.9	Very high	93.2	Very high	14 Å²	14	63.1 Å²	63.1	7%	0.073	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.7	178.6	-61.2	177.7	0	0	0	110	A61 M62 W63 Q91 F93	A61-L87 HydrophobicContact CB-CD1 3.65Å; A61-L87 HydrophobicContact CB-CD2 4.05Å; A61-L87 HydrophobicContact CB-CG 3.8Å; M62-L87 PolarHBondContact O-N 2.76Å; W63-L87 HydrophobicContact CD2-CB 4.29Å; W63-L87 HydrophobicContact CD2-CD1 3.89Å; W63-L87 HydrophobicContact CE3-CD1 4.2Å; W63-L87 HydrophobicContact CG-CB 4.08Å; W63-L87 HydrophobicContact CH2-CD1 3.99Å; W63-L87 HydrophobicContact CZ2-CD1 3.64Å; W63-L87 HydrophobicContact CZ3-CD1 4.24Å; L87-Q91 HydrophobicContact CB-CB 4.47Å; L87-Q91 HydrophobicContact CD2-CG 4.19Å; L87-Q91 VanDerWaalsContact CD2-NE2 3.31Å; L87-F93 HydrophobicContact CD1-CB 4.03Å; L87-F93 HydrophobicContact CD1-CD2 4.16Å; L87-F93 HydrophobicContact CD1-CG 4.36Å
88	R	91.1	Very high	93.3	Very high	197 Å²	197	60.9 Å²	60.9	74%	0.743	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-69.6	150.8	170.9	-64.2	-178.6	-67.8	-168.8	0.2	110.3	W63 N90 Q91	W63-R88 PolarHBondContact NE1-O 3.25Å; R88-N90 PolarHBondContact O-N 3.07Å; R88-Q91 HydrophobicContact CB-CB 4.29Å; R88-Q91 VanDerWaalsContact N-OE1 3.13Å; R88-Q91 WeakPolarHBondContact O-CB 3.48Å; R88-Q91 PolarHBondContact O-N 2.96Å
89	L	86.3	Confident	93.1	Very high	80 Å²	80	61.5 Å²	61.5	42%	0.419	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	136.2	167.8	-67.3	173.6	0	0	0	109.6	L65 Q91	L65-L89 HydrophobicContact CD2-CD2 3.69Å; L89-Q91 PolarHBondContact O-N 3.03Å
90	N	87.6	Confident	92.7	Very high	100 Å²	100	61.8 Å²	61.8	54%	0.535	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	-3.3	-171	-43.6	-56.1	0	0	0	116.5	R88 R92 K136	R88-N90 PolarHBondContact O-N 3.07Å; N90-R92 PolarHBondContact O-N 2.94Å; N90-K136 VanDerWaalsContact CA-O 3.25Å; N90-K136 WeakPolarHBondContact CA-O 3.33Å; N90-K136 PolarHBondContact N-O 3.3Å; N90-K136 VanDerWaalsContact N-O 3.07Å; N90-K136 WeakPolarHBondContact OD1-CB 3.18Å
91	Q	91.7	Very high	92.3	Very high	75 Å²	75	60.1 Å²	60.1	35%	0.35	29%	0.293	S	S	.	.			trans	-70.6	125.6	170.2	-175.3	171.6	-18.8	0	0	109.2	W63 L87 R88 L89	W63-Q91 WeakPolarHBondContact CZ2-O 3.27Å; W63-Q91 PolarHBondContact NE1-O 3.39Å; L87-Q91 HydrophobicContact CB-CB 4.47Å; L87-Q91 HydrophobicContact CD2-CG 4.19Å; L87-Q91 VanDerWaalsContact CD2-NE2 3.31Å; R88-Q91 HydrophobicContact CB-CB 4.29Å; R88-Q91 VanDerWaalsContact N-OE1 3.13Å; R88-Q91 WeakPolarHBondContact O-CB 3.48Å; R88-Q91 PolarHBondContact O-N 2.96Å; L89-Q91 PolarHBondContact O-N 3.03Å
92	R	92.6	Very high	92	Very high	118 Å²	118	56.3 Å²	56.3	45%	0.445	28%	0.279	S	S	.	.			trans	-75.9	136.8	179.2	-172.7	175.4	-176.8	104.2	5.6	111	N90 I138 S140	N90-R92 PolarHBondContact O-N 2.94Å; R92-I138 WeakPolarHBondContact CA-O 3.5Å; R92-I138 HydrophobicContact CG-CG2 4.31Å; R92-S140 PolarHBondContact NH2-OG 3.32Å
93	F	94.8	Very high	91.7	Very high	19 Å²	19	60.1 Å²	60.1	8%	0.083	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.2	165.5	-169.4	-107.9	0	0	0	110.4	A61 W63 L87 G95 I97 N117 L119 A120 I138 G139	A61-F93 HydrophobicContact CB-CD2 3.85Å; A61-F93 HydrophobicContact CB-CE2 3.64Å; A61-F93 HydrophobicContact CB-CZ 4.33Å; W63-F93 HydrophobicContact CH2-CB 3.56Å; W63-F93 HydrophobicContact CZ2-CB 3.91Å; L87-F93 HydrophobicContact CD1-CB 4.03Å; L87-F93 HydrophobicContact CD1-CD2 4.16Å; L87-F93 HydrophobicContact CD1-CG 4.36Å; F93-G95 VanDerWaalsContact CD1-N 3.31Å; F93-I97 HydrophobicContact CB-CD1 4.34Å; F93-I97 HydrophobicContact CB-CG1 4.49Å; F93-I97 HydrophobicContact CD1-CG1 3.97Å; F93-N117 VanDerWaalsContact CZ-O 3.31Å; F93-N117 WeakPolarHBondContact CZ-O 3.43Å; F93-L119 VanDerWaalsContact CE1-C 3.45Å; F93-A120 HydrophobicContact CB-CB 4.31Å; F93-A120 HydrophobicContact CD1-CB 3.39Å; F93-A120 HydrophobicContact CD2-CB 4.22Å; F93-A120 HydrophobicContact CE1-CB 3.61Å; F93-A120 HydrophobicContact CE2-CB 4.42Å; F93-A120 HydrophobicContact CG-CB 3.72Å; F93-A120 HydrophobicContact CZ-CB 4.13Å; F93-I138 PolarHBondContact N-O 2.72Å; F93-I138 VanDerWaalsContact N-O 3.14Å; F93-G139 WeakPolarHBondContact O-CA 3.25Å
94	H	93	Very high	91.7	Very high	112 Å²	112	64.3 Å²	64.3	52%	0.519	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-13.4	-174	-68.6	-76.1	0	0	0	113.8	N117	H94-N117 PolarHBondContact O-ND2 3.39Å
95	G	94.5	Very high	91.7	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-159.8	176.9	0	0	0	0	0	113.2	F93 G118	F93-G95 VanDerWaalsContact CD1-N 3.31Å; G95-G118 WeakPolarHBondContact CA-O 3.39Å
96	L	96.3	Very high	91.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.7	179.8	-175.5	152.5	0	0	0	110.3	L98 V106 D110 I113 V114 G118 L119 A120 R143 T171	L96-L98 HydrophobicContact CD2-CD2 3.45Å; L96-L98 VanDerWaalsContact CD2-CD2 3.45Å; L96-L98 HydrophobicContact CD2-CG 4.23Å; L96-V106 HydrophobicContact CD2-CG2 4.22Å; L96-D110 HydrophobicContact CD1-CB 3.37Å; L96-D110 VanDerWaalsContact CD1-CG 3.44Å; L96-I113 HydrophobicContact CB-CG2 4.19Å; L96-V114 HydrophobicContact CB-CG2 4.47Å; L96-V114 HydrophobicContact CD1-CG2 4.31Å; L96-G118 PolarHBondContact N-O 3.07Å; L96-G118 VanDerWaalsContact N-O 3.08Å; L96-L119 HydrophobicContact CB-CD2 3.78Å; L96-L119 HydrophobicContact CD2-CD2 3.73Å; L96-L119 HydrophobicContact CG-CD2 4.26Å; L96-L119 CarbonylContact O-C 3.46Å; L96-L119 WeakPolarHBondContact O-CA 3.22Å; L96-A120 PolarHBondContact O-N 2.89Å; L96-R143 HydrophobicContact CD1-CG 3.75Å; L96-R143 HydrophobicContact CD2-CB 4.15Å; L96-R143 HydrophobicContact CD2-CG 4.1Å; L96-R143 HydrophobicContact CG-CB 4.34Å; L96-R143 HydrophobicContact CG-CG 3.76Å; L96-T171 HydrophobicContact CD2-CG2 4.26Å
97	I	96.1	Very high	91.8	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.2	-174.7	-62.9	164.7	0	0	0	108.8	W63 F93 S99 A120 G139 H141 P142 R143	W63-I97 HydrophobicContact CH2-CD1 3.71Å; W63-I97 HydrophobicContact CH2-CG1 4Å; W63-I97 HydrophobicContact CH2-CG2 4.37Å; W63-I97 HydrophobicContact CZ3-CD1 4.24Å; W63-I97 HydrophobicContact CZ3-CG1 4.11Å; W63-I97 HydrophobicContact CZ3-CG2 3.82Å; F93-I97 HydrophobicContact CB-CD1 4.34Å; F93-I97 HydrophobicContact CB-CG1 4.49Å; F93-I97 HydrophobicContact CD1-CG1 3.97Å; I97-S99 PolarHBondContact O-N 2.87Å; I97-A120 WeakPolarHBondContact CA-O 3.4Å; I97-A120 HydrophobicContact CG1-CB 4.26Å; I97-G139 VanDerWaalsContact CD1-CA 3.41Å; I97-H141 PolarHBondContact N-O 2.87Å; I97-P142 CarbonylContact O-C 3.6Å; I97-P142 WeakPolarHBondContact O-CA 3.45Å; I97-R143 PolarHBondContact O-N 3.07Å
98	L	95.6	Very high	91.9	Very high	14 Å²	14	58.8 Å²	58.8	7%	0.073	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	110.2	171.4	-52.9	-178	0	0	0	108.2	L96 V106 A120 V121 R143 L145 A167 T171	L96-L98 HydrophobicContact CD2-CD2 3.45Å; L96-L98 VanDerWaalsContact CD2-CD2 3.45Å; L96-L98 HydrophobicContact CD2-CG 4.23Å; L98-V106 HydrophobicContact CD2-CG2 3.59Å; L98-A120 PolarHBondContact N-O 3.45Å; L98-V121 HydrophobicContact CB-CG1 4.16Å; L98-V121 HydrophobicContact CD1-CG1 3.83Å; L98-V121 HydrophobicContact CG-CG1 4.25Å; L98-R143 WeakPolarHBondContact CA-O 3.43Å; L98-L145 HydrophobicContact CD1-CD1 4.18Å; L98-L145 HydrophobicContact CD1-CG 4.45Å; L98-L145 HydrophobicContact CD2-CD2 4.38Å; L98-L145 HydrophobicContact CD2-CG 4.34Å; L98-A167 HydrophobicContact CD1-CB 3.85Å; L98-A167 WeakPolarHBondContact CD1-O 3.29Å; L98-T171 WeakPolarHBondContact CD1-OG1 3.4Å; L98-T171 WeakPolarHBondContact CD2-OG1 3.49Å
99	S	91.4	Very high	92.1	Very high	14 Å²	14	52.6 Å²	52.6	10%	0.098	28%	0.275	C	S	.	.			trans	-139.4	135.9	-176.7	176.5	0	0	0	0	109.9	I97 M101 G102 R143 L144	I97-S99 PolarHBondContact O-N 2.87Å; S99-M101 PolarHBondContact O-N 3.41Å; S99-M101 VanDerWaalsContact O-N 3.08Å; S99-M101 PolarHBondContact OG-N 2.96Å; S99-G102 PolarHBondContact O-N 3.18Å; S99-R143 PolarHBondContact N-O 2.82Å; S99-L144 VanDerWaalsContact O-CD2 3.3Å; S99-L144 WeakPolarHBondContact O-CD2 3.42Å
100	P	84.8	Confident	92.5	Very high	52 Å²	52	49 Å²	49	34%	0.338	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-12	173.4	29.8	-35.9	0	0	0	112.7	L129 F134	P100-L129 HydrophobicContact CG-CD2 4.25Å; P100-F134 HydrophobicContact CG-CD1 4.29Å; P100-F134 HydrophobicContact CG-CE1 3.44Å; P100-F134 VanDerWaalsContact CG-CE1 3.44Å; P100-F134 HydrophobicContact CG-CE2 4.21Å; P100-F134 HydrophobicContact CG-CZ 3.4Å; P100-F134 VanDerWaalsContact CG-CZ 3.4Å
101	M	84	Confident	92.8	Very high	116 Å²	116	48.6 Å²	48.6	57%	0.571	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	4.8	174.5	-54.2	-71	83.9	0	0	112.9	S99 F134	S99-M101 PolarHBondContact O-N 3.41Å; S99-M101 VanDerWaalsContact O-N 3.08Å; S99-M101 PolarHBondContact OG-N 2.96Å; M101-F134 HydrophobicContact CG-CB 3.71Å; M101-F134 HydrophobicContact CG-CD1 4.06Å; M101-F134 HydrophobicContact CG-CD2 3.65Å; M101-F134 HydrophobicContact CG-CE2 4.28Å; M101-F134 HydrophobicContact CG-CG 3.54Å; M101-F134 HydrophobicContact SD-CD2 4.02Å; M101-F134 HydrophobicContact SD-CE2 4.49Å; M101-F134 HydrophobicContact SD-CG 4.47Å
102	G	86.4	Confident	92.9	Very high	7 Å²	7	49.2 Å²	49.2	7%	0.072	25%	0.253	C	S	.	.			trans	-61	144.8	172.2	0	0	0	0	0	110.7	S99 L144	S99-G102 PolarHBondContact O-N 3.18Å; G102-L144 WeakPolarHBondContact O-CD1 3.34Å; G102-L144 VanDerWaalsContact O-CG 3.23Å; G102-L144 WeakPolarHBondContact O-CG 3.37Å
103	T	86.9	Confident	93	Very high	124 Å²	124	45.3 Å²	45.3	76%	0.761	24%	0.24	S	C	*	.	S	Bend	trans	-100	-18.5	174.4	51.2	0	0	0	0	112.7
104	K	93.9	Very high	93.1	Very high	106 Å²	106	44.4 Å²	44.4	46%	0.461	24%	0.236	S	C	.	.	S	Bend	trans	-112.5	145.2	-179.7	-64.6	-168.1	174.5	-158.4	0	111	R143 L144 E211	K104-R143 CarbonylContact O-C 3.51Å; K104-R143 WeakPolarHBondContact O-CA 3.11Å; K104-R143 WeakPolarHBondContact O-CD 3.35Å; K104-L144 PolarHBondContact O-N 3.21Å; K104-E211 WeakPolarHBondContact CA-OE1 3.47Å
105	Y	95.7	Very high	93.2	Very high	61 Å²	61	39.9 Å²	39.9	24%	0.239	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-80.1	148.8	172.9	-71.1	-95.5	0	0	0	111.9	S107 R143 L144 P146 E211 L215	Y105-S107 PolarHBondContact O-N 2.78Å; Y105-R143 WeakPolarHBondContact O-CD 3.48Å; Y105-L144 CarbonylContact C-O 3.42Å; Y105-L144 VanDerWaalsContact CA-O 3.31Å; Y105-L144 WeakPolarHBondContact CA-O 3.23Å; Y105-L144 HydrophobicContact CD1-CB 3.95Å; Y105-L144 HydrophobicContact CE1-CB 3.98Å; Y105-L144 HydrophobicContact CE2-CD1 4.41Å; Y105-L144 HydrophobicContact CG-CB 4.38Å; Y105-P146 HydrophobicContact CD1-CB 4.22Å; Y105-E211 WeakPolarHBondContact CD2-OE1 3.48Å; Y105-E211 PolarHBondContact N-OE1 3.07Å; Y105-L215 HydrophobicContact CD2-CD1 4.28Å; Y105-L215 HydrophobicContact CD2-CD2 3.84Å; Y105-L215 HydrophobicContact CD2-CG 4.31Å; Y105-L215 HydrophobicContact CE1-CD2 4.42Å; Y105-L215 HydrophobicContact CE2-CD1 4.43Å; Y105-L215 HydrophobicContact CE2-CD2 3.7Å; Y105-L215 HydrophobicContact CG-CD2 4.27Å
106	V	96.2	Very high	93.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.			trans	-59.1	127.6	167.6	174.8	0	0	0	0	107.8	L96 L98 R143 L144 L145 T171 I174 V175 L214	L96-V106 HydrophobicContact CD2-CG2 4.22Å; L98-V106 HydrophobicContact CD2-CG2 3.59Å; V106-R143 HydrophobicContact CG2-CB 3.54Å; V106-R143 HydrophobicContact CG2-CG 4.19Å; V106-L144 WeakPolarHBondContact CG2-O 3.45Å; V106-L144 PolarHBondContact N-O 3.34Å; V106-L145 HydrophobicContact CB-CD2 4.41Å; V106-L145 HydrophobicContact CG2-CD2 4.03Å; V106-T171 HydrophobicContact CG1-CG2 3.92Å; V106-I174 HydrophobicContact CG1-CB 4.17Å; V106-I174 HydrophobicContact CG1-CD1 4.29Å; V106-I174 HydrophobicContact CG1-CG2 3.91Å; V106-V175 HydrophobicContact CG1-CG1 4.32Å; V106-L214 WeakPolarHBondContact O-CD1 3.43Å
107	S	95.8	Very high	93	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.063	26%	0.26	C	S	.	.			trans	-135	165.5	177.1	62.4	0	0	0	0	110.7	Y105 A109 D110	Y105-S107 PolarHBondContact O-N 2.78Å; S107-A109 PolarHBondContact O-N 2.9Å; S107-D110 PolarHBondContact N-OD2 3.05Å; S107-D110 WeakPolarHBondContact O-CB 3.5Å; S107-D110 PolarHBondContact O-N 2.77Å
108	P	95.6	Very high	93	Very high	26 Å²	26	48.2 Å²	48.2	17%	0.169	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-58.5	-21.1	176.7	-29.4	41.1	0	0	0	114	D110 R111 I174 Y205 C208	P108-D110 PolarHBondContact O-N 3.04Å; P108-R111 WeakPolarHBondContact O-CB 3.41Å; P108-R111 PolarHBondContact O-N 3.36Å; P108-I174 HydrophobicContact CG-CG2 4.4Å; P108-I174 WeakPolarHBondContact CG-O 3.41Å; P108-Y205 WeakPolarHBondContact CG-O 3.47Å; P108-C208 WeakPolarHBondContact CB-O 3.42Å; P108-C208 WeakPolarHBondContact CG-O 3.17Å
109	A	94	Very high	93	Very high	67 Å²	67	47.5 Å²	47.5	55%	0.554	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-63.3	-19.4	173.1	0	0	0	0	0	114	S107 R111	S107-A109 PolarHBondContact O-N 2.9Å; A109-R111 PolarHBondContact O-N 3.38Å
110	D	95.3	Very high	93.3	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.027	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-80.3	-3.4	178.2	-69	-50.2	0	0	0	113.1	L96 S107 P108 D112 I113 V114 R143 V175	L96-D110 HydrophobicContact CD1-CB 3.37Å; L96-D110 VanDerWaalsContact CD1-CG 3.44Å; S107-D110 PolarHBondContact N-OD2 3.05Å; S107-D110 WeakPolarHBondContact O-CB 3.5Å; S107-D110 PolarHBondContact O-N 2.77Å; P108-D110 PolarHBondContact O-N 3.04Å; D110-D112 VanDerWaalsContact C-N 3.33Å; D110-D112 PolarHBondContact O-N 3.07Å; D110-I113 WeakPolarHBondContact O-CB 3.35Å; D110-I113 PolarHBondContact O-N 3.33Å; D110-V114 WeakPolarHBondContact O-CG2 3.5Å; D110-V114 PolarHBondContact O-N 2.88Å; D110-R143 IonicContact OD1-CZ 3.69Å; D110-R143 IonicContact OD1-NE 3.74Å; D110-R143 PolarHBondContact OD1-NE 3.16Å; D110-R143 VanDerWaalsContact OD1-NE 3.16Å; D110-R143 IonicContact OD1-NH2 4Å; D110-R143 PolarHBondContact OD1-NH2 2.97Å; D110-R143 IonicContact OD2-CZ 2.71Å; D110-R143 IonicContact OD2-NE 3.4Å; D110-R143 PolarHBondContact OD2-NE 3.4Å; D110-V175 HydrophobicContact CB-CG1 4.34Å
111	R	94.8	Very high	93.8	Very high	90 Å²	90	44.6 Å²	44.6	34%	0.34	24%	0.236	S	C	.	.	H	α-helix	trans	-50.5	-45.4	-175.7	-173.5	177.3	-175.1	-169.2	-1.9	114.1	L28 P108 A109 I113 V114 A115 V175 F177	L28-R111 HydrophobicContact CD1-CG 4.28Å; P108-R111 WeakPolarHBondContact O-CB 3.41Å; P108-R111 PolarHBondContact O-N 3.36Å; A109-R111 PolarHBondContact O-N 3.38Å; R111-I113 PolarHBondContact O-N 2.78Å; R111-V114 PolarHBondContact O-N 3Å; R111-A115 PolarHBondContact O-N 3.21Å; R111-V175 HydrophobicContact CB-CB 4.21Å; R111-V175 WeakPolarHBondContact CD-O 3.2Å; R111-V175 WeakPolarHBondContact CG-O 3.45Å; R111-F177 HydrophobicContact CG-CE1 3.93Å; R111-F177 HydrophobicContact CG-CE2 3.84Å; R111-F177 HydrophobicContact CG-CZ 3.33Å
112	D	94.4	Very high	94.2	Very high	88 Å²	88	39.9 Å²	39.9	47%	0.471	21%	0.213	S	C	.	.	H	α-helix	trans	-67.3	-37	-180	-71	-32.9	0	0	0	112.5	D110 V114 A115 Q116	D110-D112 VanDerWaalsContact C-N 3.33Å; D110-D112 PolarHBondContact O-N 3.07Å; D112-V114 VanDerWaalsContact C-N 3.31Å; D112-A115 PolarHBondContact O-N 3.47Å; D112-Q116 WeakPolarHBondContact O-CB 3.25Å; D112-Q116 VanDerWaalsContact O-CG 3.3Å; D112-Q116 WeakPolarHBondContact O-CG 3.18Å; D112-Q116 PolarHBondContact O-N 2.98Å
113	I	94.6	Very high	94.4	Very high	36 Å²	36	39.7 Å²	39.7	19%	0.185	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-43	177.5	-57.2	173.1	0	0	0	109.2	L96 D110 R111 N117 G118	L96-I113 HydrophobicContact CB-CG2 4.19Å; D110-I113 WeakPolarHBondContact O-CB 3.35Å; D110-I113 PolarHBondContact O-N 3.33Å; R111-I113 PolarHBondContact O-N 2.78Å; I113-N117 WeakPolarHBondContact O-CA 3.42Å; I113-N117 WeakPolarHBondContact O-CB 3.43Å; I113-N117 PolarHBondContact O-N 2.92Å; I113-G118 PolarHBondContact O-N 3.41Å
114	V	95.8	Very high	94.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-46.1	177.9	177.1	0	0	0	0	111.4	C58 L96 D110 R111 D112 Q116 G118 L119 F172 V175 F177	C58-V114 WeakPolarHBondContact CB-O 3.4Å; L96-V114 HydrophobicContact CB-CG2 4.47Å; L96-V114 HydrophobicContact CD1-CG2 4.31Å; D110-V114 WeakPolarHBondContact O-CG2 3.5Å; D110-V114 PolarHBondContact O-N 2.88Å; R111-V114 PolarHBondContact O-N 3Å; D112-V114 VanDerWaalsContact C-N 3.31Å; V114-Q116 PolarHBondContact O-N 3.38Å; V114-G118 WeakPolarHBondContact O-CA 3.25Å; V114-G118 PolarHBondContact O-N 3.02Å; V114-L119 HydrophobicContact CB-CD2 4.29Å; V114-L119 HydrophobicContact CG1-CD1 4.2Å; V114-L119 HydrophobicContact CG1-CD2 4.05Å; V114-L119 HydrophobicContact CG1-CG 3.92Å; V114-L119 HydrophobicContact CG2-CD2 3.48Å; V114-L119 VanDerWaalsContact CG2-CD2 3.48Å; V114-L119 HydrophobicContact CG2-CG 4.29Å; V114-F172 HydrophobicContact CG1-CD1 4.21Å; V114-F172 HydrophobicContact CG1-CE1 3.8Å; V114-V175 HydrophobicContact CG1-CG2 4.41Å; V114-V175 HydrophobicContact CG2-CG1 4.21Å; V114-V175 HydrophobicContact CG2-CG2 4.42Å; V114-F177 HydrophobicContact CB-CE2 4.12Å; V114-F177 HydrophobicContact CG1-CD2 3.96Å; V114-F177 HydrophobicContact CG1-CE2 3.93Å
115	A	94.9	Very high	93.7	Very high	17 Å²	17	31 Å²	31	14%	0.14	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-40.9	-179.4	0	0	0	0	0	112.6	L28 F31 R111 D112 F177	L28-A115 HydrophobicContact CD1-CB 3.98Å; F31-A115 HydrophobicContact CD1-CB 4.06Å; F31-A115 HydrophobicContact CD2-CB 3.99Å; F31-A115 HydrophobicContact CE1-CB 4.28Å; F31-A115 HydrophobicContact CE2-CB 4.21Å; F31-A115 HydrophobicContact CG-CB 3.91Å; F31-A115 HydrophobicContact CZ-CB 4.34Å; R111-A115 PolarHBondContact O-N 3.21Å; D112-A115 PolarHBondContact O-N 3.47Å; A115-F177 HydrophobicContact CB-CE2 4.32Å; A115-F177 HydrophobicContact CB-CZ 4.09Å
116	Q	92.9	Very high	92.9	Very high	121 Å²	121	33 Å²	33	57%	0.565	18%	0.175	S	C	*	.	H	α-helix	trans	-83.7	-41.8	-175.5	-65.9	176.9	20.7	0	0	113.2	D112 V114	D112-Q116 WeakPolarHBondContact O-CB 3.25Å; D112-Q116 VanDerWaalsContact O-CG 3.3Å; D112-Q116 WeakPolarHBondContact O-CG 3.18Å; D112-Q116 PolarHBondContact O-N 2.98Å; V114-Q116 PolarHBondContact O-N 3.38Å
117	N	94.3	Very high	92.1	Very high	59 Å²	59	37.7 Å²	37.7	32%	0.316	21%	0.214	S	C	.	.	H	α-helix	trans	-119.6	-11.6	-166.4	-65.2	28.9	0	0	0	113.4	F93 H94 I113	F93-N117 VanDerWaalsContact CZ-O 3.31Å; F93-N117 WeakPolarHBondContact CZ-O 3.43Å; H94-N117 PolarHBondContact O-ND2 3.39Å; I113-N117 WeakPolarHBondContact O-CA 3.42Å; I113-N117 WeakPolarHBondContact O-CB 3.43Å; I113-N117 PolarHBondContact O-N 2.92Å
118	G	95.5	Very high	91.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.228	C	C	.	.			trans	79.4	-165.3	177.3	0	0	0	0	0	115.3	P59 G95 L96 I113 V114	P59-G118 VanDerWaalsContact O-CA 3.23Å; P59-G118 WeakPolarHBondContact O-CA 3.38Å; G95-G118 WeakPolarHBondContact CA-O 3.39Å; L96-G118 PolarHBondContact N-O 3.07Å; L96-G118 VanDerWaalsContact N-O 3.08Å; I113-G118 PolarHBondContact O-N 3.41Å; V114-G118 WeakPolarHBondContact O-CA 3.25Å; V114-G118 PolarHBondContact O-N 3.02Å
119	L	96.9	Very high	90.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.5	-173.8	-62.6	178.1	0	0	0	111.8	P59 L60 A61 F93 L96 V114 F168 T171 F172	P59-L119 PolarHBondContact O-N 3.38Å; P59-L119 VanDerWaalsContact O-N 3.1Å; L60-L119 CarbonylContact C-O 3.57Å; L60-L119 WeakPolarHBondContact CA-O 3.45Å; L60-L119 HydrophobicContact CD2-CB 3.72Å; L60-L119 HydrophobicContact CD2-CD1 4.34Å; L60-L119 HydrophobicContact CD2-CG 4.33Å; A61-L119 PolarHBondContact N-O 3.08Å; F93-L119 VanDerWaalsContact CE1-C 3.45Å; L96-L119 HydrophobicContact CB-CD2 3.78Å; L96-L119 HydrophobicContact CD2-CD2 3.73Å; L96-L119 HydrophobicContact CG-CD2 4.26Å; L96-L119 CarbonylContact O-C 3.46Å; L96-L119 WeakPolarHBondContact O-CA 3.22Å; V114-L119 HydrophobicContact CB-CD2 4.29Å; V114-L119 HydrophobicContact CG1-CD1 4.2Å; V114-L119 HydrophobicContact CG1-CD2 4.05Å; V114-L119 HydrophobicContact CG1-CG 3.92Å; V114-L119 HydrophobicContact CG2-CD2 3.48Å; V114-L119 VanDerWaalsContact CG2-CD2 3.48Å; V114-L119 HydrophobicContact CG2-CG 4.29Å; L119-F168 HydrophobicContact CB-CD1 3.9Å; L119-F168 HydrophobicContact CB-CE1 3.78Å; L119-F168 HydrophobicContact CD1-CD1 4.15Å; L119-T171 HydrophobicContact CD1-CG2 3.69Å; L119-T171 HydrophobicContact CD2-CG2 3.68Å; L119-T171 HydrophobicContact CG-CG2 4.36Å; L119-F172 HydrophobicContact CD1-CD1 3.91Å; L119-F172 HydrophobicContact CD1-CD2 4.31Å; L119-F172 HydrophobicContact CD1-CE1 3.58Å; L119-F172 HydrophobicContact CD1-CE2 4.01Å; L119-F172 HydrophobicContact CD1-CG 4.28Å; L119-F172 HydrophobicContact CD1-CZ 3.66Å; L119-F172 HydrophobicContact CG-CE1 4.37Å; L119-F172 HydrophobicContact CG-CZ 4.48Å
120	A	96.9	Very high	89.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146	168.7	0	0	0	0	0	112.8	A61 W63 F93 L96 I97 L98	A61-A120 HydrophobicContact CB-CB 4.13Å; A61-A120 WeakPolarHBondContact O-CA 3.25Å; W63-A120 HydrophobicContact CE3-CB 4.4Å; W63-A120 HydrophobicContact CH2-CB 4.23Å; W63-A120 HydrophobicContact CZ3-CB 3.69Å; F93-A120 HydrophobicContact CB-CB 4.31Å; F93-A120 HydrophobicContact CD1-CB 3.39Å; F93-A120 HydrophobicContact CD2-CB 4.22Å; F93-A120 HydrophobicContact CE1-CB 3.61Å; F93-A120 HydrophobicContact CE2-CB 4.42Å; F93-A120 HydrophobicContact CG-CB 3.72Å; F93-A120 HydrophobicContact CZ-CB 4.13Å; L96-A120 PolarHBondContact O-N 2.89Å; I97-A120 WeakPolarHBondContact CA-O 3.4Å; I97-A120 HydrophobicContact CG1-CB 4.26Å; L98-A120 PolarHBondContact N-O 3.45Å
121	V	95.3	Very high	89.1	Confident	4 Å²	4	55 Å²	55	2%	0.024	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	163.9	174.5	-60.7	0	0	0	0	111.3	A61 M62 W63 L98 C164 A167 F168	A61-V121 PolarHBondContact O-N 3.38Å; A61-V121 VanDerWaalsContact O-N 3.07Å; M62-V121 VanDerWaalsContact CA-O 3.25Å; M62-V121 WeakPolarHBondContact CA-O 3.5Å; M62-V121 HydrophobicContact CB-CG2 3.98Å; M62-V121 HydrophobicContact CG-CG2 3.9Å; M62-V121 HydrophobicContact SD-CG2 4.35Å; W63-V121 PolarHBondContact N-O 3Å; L98-V121 HydrophobicContact CB-CG1 4.16Å; L98-V121 HydrophobicContact CD1-CG1 3.83Å; L98-V121 HydrophobicContact CG-CG1 4.25Å; V121-C164 HydrophobicContact CG2-CB 4.1Å; V121-A167 HydrophobicContact CG1-CB 4.44Å; V121-F168 HydrophobicContact CB-CE1 4.45Å; V121-F168 HydrophobicContact CB-CE2 4.26Å; V121-F168 HydrophobicContact CB-CZ 4.03Å; V121-F168 HydrophobicContact CG1-CD1 3.86Å; V121-F168 HydrophobicContact CG1-CD2 4.09Å; V121-F168 HydrophobicContact CG1-CE1 3.56Å; V121-F168 HydrophobicContact CG1-CE2 3.81Å; V121-F168 HydrophobicContact CG1-CG 4.12Å; V121-F168 HydrophobicContact CG1-CZ 3.54Å; V121-F168 HydrophobicContact CG2-CD2 4.34Å; V121-F168 HydrophobicContact CG2-CE1 4.31Å; V121-F168 HydrophobicContact CG2-CE2 3.44Å; V121-F168 VanDerWaalsContact CG2-CE2 3.44Å; V121-F168 HydrophobicContact CG2-CZ 3.43Å; V121-F168 VanDerWaalsContact CG2-CZ 3.43Å
122	I	92.8	Very high	88.5	Confident	17 Å²	17	51.1 Å²	51.1	9%	0.087	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.3	176.1	-58.4	173.7	0	0	0	107.8	W63 L65 C124 F134 M137	W63-I122 HydrophobicContact CE3-CG1 4.02Å; L65-I122 HydrophobicContact CD1-CG2 4.42Å; I122-C124 HydrophobicContact CG2-CB 4.37Å; I122-C124 PolarHBondContact O-N 3.46Å; I122-F134 HydrophobicContact CD1-CD1 3.87Å; I122-F134 HydrophobicContact CD1-CE1 4.1Å; I122-F134 HydrophobicContact CG2-CE1 4.27Å; I122-M137 HydrophobicContact CB-SD 4.06Å; I122-M137 HydrophobicContact CD1-CB 4.35Å; I122-M137 HydrophobicContact CD1-CE 3.9Å; I122-M137 HydrophobicContact CD1-SD 3.68Å; I122-M137 HydrophobicContact CG1-CE 4.33Å; I122-M137 HydrophobicContact CG1-SD 3.58Å; I122-M137 VanDerWaalsContact CG1-SD 3.58Å; I122-M137 HydrophobicContact CG2-CE 3.6Å; I122-M137 HydrophobicContact CG2-SD 3.43Å; I122-M137 WeakPolarHBondContact CG2-SD 3.38Å
123	D	89.1	Confident	87.9	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	95.2	176.1	179.3	35.4	0	0	0	109.8	M62 W63 L65 C68 C73	M62-D123 HydrophobicContact CE-CB 4.21Å; M62-D123 HydrophobicContact CG-CB 3.78Å; M62-D123 HydrophobicContact SD-CB 3.49Å; M62-D123 WeakPolarHBondContact SD-CB 3.3Å; W63-D123 PolarHBondContact O-N 3.28Å; L65-D123 PolarHBondContact N-O 3.03Å; C68-D123 PolarHBondContact SG-OD1 3.22Å; C68-D123 VanDerWaalsContact SG-OD1 3.41Å; C73-D123 PolarHBondContact SG-OD1 3.44Å; C73-D123 VanDerWaalsContact SG-OD1 3.41Å; C73-D123 PolarHBondContact SG-OD2 3.43Å
124	C	84.4	Confident	87.4	Confident	22 Å²	22	48.8 Å²	48.8	15%	0.149	26%	0.255	C	S	.	.			trans	-130.6	150.5	175.1	61.8	0	0	0	0	109.4	L65 I122 L129	L65-C124 HydrophobicContact CD1-CB 3.71Å; I122-C124 HydrophobicContact CG2-CB 4.37Å; I122-C124 PolarHBondContact O-N 3.46Å; C124-L129 VanDerWaalsContact SG-CD2 3.58Å
125	S	82.6	Confident	86.9	Confident	24 Å²	24	56.3 Å²	56.3	17%	0.168	30%	0.295	C	S	.	.			trans	-74.5	141	171.7	66.9	0	0	0	0	109.3	A127 K128	S125-A127 PolarHBondContact O-N 3.37Å; S125-K128 PolarHBondContact O-N 3.23Å
126	W	78.3	Confident	86.4	Confident	105 Å²	105	60.2 Å²	60.2	40%	0.398	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-56.4	-25.3	176.6	-74.6	104.1	0	0	0	113.5	K128 L129 C160 K161 L162	W126-K128 VanDerWaalsContact C-N 3.34Å; W126-L129 HydrophobicContact CE3-CD1 3.51Å; W126-L129 HydrophobicContact CE3-CG 4.39Å; W126-L129 HydrophobicContact CZ3-CD1 3.81Å; W126-C160 WeakPolarHBondContact CH2-O 3.49Å; W126-C160 WeakPolarHBondContact CZ2-O 3.49Å; W126-K161 HydrophobicContact CD2-CD 3.51Å; W126-K161 HydrophobicContact CE3-CD 3.62Å; W126-K161 HydrophobicContact CG-CD 4Å; W126-K161 HydrophobicContact CH2-CD 4.23Å; W126-K161 HydrophobicContact CZ2-CD 4.14Å; W126-K161 HydrophobicContact CZ3-CD 3.98Å; W126-L162 PolarHBondContact NE1-O 3.4Å
127	A	79.3	Confident	86.1	Confident	98 Å²	98	55.4 Å²	55.4	81%	0.81	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-75.7	-18.5	178.3	0	0	0	0	0	113.9	S125	S125-A127 PolarHBondContact O-N 3.37Å
128	K	79.8	Confident	85.6	Confident	86 Å²	86	56 Å²	56	37%	0.374	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-120.4	30.1	-174.3	-63	-169.4	175.7	-165.3	0	112.8	H67 S125 W126 T132	H67-K128 HydrophobicContact CB-CD 4.32Å; S125-K128 PolarHBondContact O-N 3.23Å; W126-K128 VanDerWaalsContact C-N 3.34Å; K128-T132 PolarHBondContact O-N 3.41Å; K128-T132 PolarHBondContact O-OG1 3.26Å
129	L	79.7	Confident	85.2	Confident	41 Å²	41	57.1 Å²	57.1	22%	0.215	30%	0.301	C	S	.	.	S	Bend	trans	-62.7	-43.8	178	-76.8	174.8	0	0	0	111.5	P100 C124 W126 E131 T132 F134	P100-L129 HydrophobicContact CG-CD2 4.25Å; C124-L129 VanDerWaalsContact SG-CD2 3.58Å; W126-L129 HydrophobicContact CE3-CD1 3.51Å; W126-L129 HydrophobicContact CE3-CG 4.39Å; W126-L129 HydrophobicContact CZ3-CD1 3.81Å; L129-E131 VanDerWaalsContact C-N 3.31Å; L129-E131 PolarHBondContact O-N 3.25Å; L129-T132 WeakPolarHBondContact O-CB 3.45Å; L129-T132 PolarHBondContact O-N 3.13Å; L129-T132 VanDerWaalsContact O-N 3.14Å; L129-F134 HydrophobicContact CD2-CZ 3.98Å; L129-F134 WeakPolarHBondContact O-CE2 3.48Å
130	E	78.1	Confident	84.6	Confident	203 Å²	203	59.3 Å²	59.3	95%	0.949	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-33.2	-177	-62	-178.2	-178.2	0	0	112.9	T132	E130-T132 VanDerWaalsContact C-N 3.27Å; E130-T132 PolarHBondContact O-N 3.27Å
131	E	80.2	Confident	84.4	Confident	140 Å²	140	62.1 Å²	62.1	65%	0.654	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.5	178	-61.1	177.4	178.2	0	0	112.9	L129	L129-E131 VanDerWaalsContact C-N 3.31Å; L129-E131 PolarHBondContact O-N 3.25Å
132	T	81.9	Confident	84.4	Confident	8 Å²	8	64.4 Å²	64.4	5%	0.049	34%	0.344	C	S	.	.	S	Bend	trans	-76.3	125.2	-172.8	-71	0	0	0	0	111	L65 K128 L129 E130 F134 M137	L65-T132 HydrophobicContact CD1-CG2 3.29Å; K128-T132 PolarHBondContact O-N 3.41Å; K128-T132 PolarHBondContact O-OG1 3.26Å; L129-T132 WeakPolarHBondContact O-CB 3.45Å; L129-T132 PolarHBondContact O-N 3.13Å; L129-T132 VanDerWaalsContact O-N 3.14Å; E130-T132 VanDerWaalsContact C-N 3.27Å; E130-T132 PolarHBondContact O-N 3.27Å; T132-F134 VanDerWaalsContact C-N 3.26Å; T132-F134 HydrophobicContact CG2-CD1 3.85Å; T132-F134 HydrophobicContact CG2-CD2 4.14Å; T132-F134 HydrophobicContact CG2-CE1 3.52Å; T132-F134 HydrophobicContact CG2-CE2 3.86Å; T132-F134 HydrophobicContact CG2-CG 4.12Å; T132-F134 HydrophobicContact CG2-CZ 3.52Å; T132-F134 VanDerWaalsContact O-CD2 3.28Å; T132-F134 WeakPolarHBondContact O-CD2 3.35Å; T132-F134 PolarHBondContact O-N 3.29Å; T132-M137 HydrophobicContact CG2-CE 3.56Å
133	P	83.8	Confident	84.5	Confident	46 Å²	46	65 Å²	65	30%	0.299	35%	0.345	S	S	.	.			trans	-79.1	70.3	-177.4	33.3	-37	0	0	0	111.8	N135 K136	P133-N135 PolarHBondContact O-N 3.41Å; P133-N135 VanDerWaalsContact O-N 3.11Å; P133-K136 HydrophobicContact CB-CD 4.05Å; P133-K136 HydrophobicContact CB-CG 4.21Å; P133-K136 HydrophobicContact CG-CD 4.37Å; P133-K136 WeakPolarHBondContact O-CB 3.33Å; P133-K136 PolarHBondContact O-N 3.24Å
134	F	83.5	Confident	84.8	Confident	29 Å²	29	66.8 Å²	66.8	13%	0.127	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-54.8	-31.3	179.5	-64.9	-70.5	0	0	0	113.4	P100 M101 I122 L129 T132 K136 M137	P100-F134 HydrophobicContact CG-CD1 4.29Å; P100-F134 HydrophobicContact CG-CE1 3.44Å; P100-F134 VanDerWaalsContact CG-CE1 3.44Å; P100-F134 HydrophobicContact CG-CE2 4.21Å; P100-F134 HydrophobicContact CG-CZ 3.4Å; P100-F134 VanDerWaalsContact CG-CZ 3.4Å; M101-F134 HydrophobicContact CG-CB 3.71Å; M101-F134 HydrophobicContact CG-CD1 4.06Å; M101-F134 HydrophobicContact CG-CD2 3.65Å; M101-F134 HydrophobicContact CG-CE2 4.28Å; M101-F134 HydrophobicContact CG-CG 3.54Å; M101-F134 HydrophobicContact SD-CD2 4.02Å; M101-F134 HydrophobicContact SD-CE2 4.49Å; M101-F134 HydrophobicContact SD-CG 4.47Å; I122-F134 HydrophobicContact CD1-CD1 3.87Å; I122-F134 HydrophobicContact CD1-CE1 4.1Å; I122-F134 HydrophobicContact CG2-CE1 4.27Å; L129-F134 HydrophobicContact CD2-CZ 3.98Å; L129-F134 WeakPolarHBondContact O-CE2 3.48Å; T132-F134 VanDerWaalsContact C-N 3.26Å; T132-F134 HydrophobicContact CG2-CD1 3.85Å; T132-F134 HydrophobicContact CG2-CD2 4.14Å; T132-F134 HydrophobicContact CG2-CE1 3.52Å; T132-F134 HydrophobicContact CG2-CE2 3.86Å; T132-F134 HydrophobicContact CG2-CG 4.12Å; T132-F134 HydrophobicContact CG2-CZ 3.52Å; T132-F134 VanDerWaalsContact O-CD2 3.28Å; T132-F134 WeakPolarHBondContact O-CD2 3.35Å; T132-F134 PolarHBondContact O-N 3.29Å; F134-K136 PolarHBondContact O-N 3.46Å; F134-K136 VanDerWaalsContact O-N 3.11Å; F134-M137 HydrophobicContact CD1-CE 3.7Å; F134-M137 HydrophobicContact CE1-CE 4.24Å; F134-M137 HydrophobicContact CG-CE 4.34Å; F134-M137 PolarHBondContact O-N 3.12Å
135	N	84.1	Confident	85.4	Confident	159 Å²	159	67.4 Å²	67.4	85%	0.85	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-61.1	-21.6	177.4	-61.2	-24.6	0	0	0	113.9	P133	P133-N135 PolarHBondContact O-N 3.41Å; P133-N135 VanDerWaalsContact O-N 3.11Å
136	K	85.1	Confident	86	Confident	99 Å²	99	66.4 Å²	66.4	43%	0.43	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-87.6	-10.6	177.7	-64.7	-174.9	-178.6	175.3	0	113	N90 P133 F134 I138	N90-K136 VanDerWaalsContact CA-O 3.25Å; N90-K136 WeakPolarHBondContact CA-O 3.33Å; N90-K136 PolarHBondContact N-O 3.3Å; N90-K136 VanDerWaalsContact N-O 3.07Å; N90-K136 WeakPolarHBondContact OD1-CB 3.18Å; P133-K136 HydrophobicContact CB-CD 4.05Å; P133-K136 HydrophobicContact CB-CG 4.21Å; P133-K136 HydrophobicContact CG-CD 4.37Å; P133-K136 WeakPolarHBondContact O-CB 3.33Å; P133-K136 PolarHBondContact O-N 3.24Å; F134-K136 PolarHBondContact O-N 3.46Å; F134-K136 VanDerWaalsContact O-N 3.11Å; K136-I138 PolarHBondContact O-N 2.93Å
137	M	87.4	Confident	86.9	Confident	19 Å²	19	63.7 Å²	63.7	9%	0.094	34%	0.338	C	S	.	.	S	Bend	trans	-96.9	84.2	180	-69	178.3	-82.7	0	0	108.6	W63 I122 T132 F134	W63-M137 HydrophobicContact CB-CG 4.11Å; W63-M137 HydrophobicContact CB-SD 3.58Å; W63-M137 VanDerWaalsContact CB-SD 3.58Å; W63-M137 HydrophobicContact CD2-CB 4.11Å; W63-M137 HydrophobicContact CD2-CG 3.82Å; W63-M137 HydrophobicContact CD2-SD 4.13Å; W63-M137 HydrophobicContact CE3-CB 4.34Å; W63-M137 HydrophobicContact CE3-CG 4.36Å; W63-M137 HydrophobicContact CE3-SD 4.37Å; W63-M137 HydrophobicContact CG-CB 4.5Å; W63-M137 HydrophobicContact CG-CG 3.7Å; W63-M137 HydrophobicContact CG-SD 3.83Å; W63-M137 HydrophobicContact CZ2-CB 4.46Å; I122-M137 HydrophobicContact CB-SD 4.06Å; I122-M137 HydrophobicContact CD1-CB 4.35Å; I122-M137 HydrophobicContact CD1-CE 3.9Å; I122-M137 HydrophobicContact CD1-SD 3.68Å; I122-M137 HydrophobicContact CG1-CE 4.33Å; I122-M137 HydrophobicContact CG1-SD 3.58Å; I122-M137 VanDerWaalsContact CG1-SD 3.58Å; I122-M137 HydrophobicContact CG2-CE 3.6Å; I122-M137 HydrophobicContact CG2-SD 3.43Å; I122-M137 WeakPolarHBondContact CG2-SD 3.38Å; T132-M137 HydrophobicContact CG2-CE 3.56Å; F134-M137 HydrophobicContact CD1-CE 3.7Å; F134-M137 HydrophobicContact CE1-CE 4.24Å; F134-M137 HydrophobicContact CG-CE 4.34Å; F134-M137 PolarHBondContact O-N 3.12Å
138	I	83.8	Confident	87.7	Confident	72 Å²	72	59 Å²	59	37%	0.369	30%	0.3	S	S	.	.			trans	-88.6	131.7	-170.4	-56.4	171.7	0	0	0	109.8	R92 F93 K136	R92-I138 WeakPolarHBondContact CA-O 3.5Å; R92-I138 HydrophobicContact CG-CG2 4.31Å; F93-I138 PolarHBondContact N-O 2.72Å; F93-I138 VanDerWaalsContact N-O 3.14Å; K136-I138 PolarHBondContact O-N 2.93Å
139	G	85.3	Confident	88.5	Confident	24 Å²	24	55.7 Å²	55.7	25%	0.247	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-169	161.3	0	0	0	0	0	114	F93 I97	F93-G139 WeakPolarHBondContact O-CA 3.25Å; I97-G139 VanDerWaalsContact CD1-CA 3.41Å
140	S	85.9	Confident	89.3	Confident	45 Å²	45	53.8 Å²	53.8	32%	0.315	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-33.4	-163.6	-58.8	0	0	0	0	113.6	R92	R92-S140 PolarHBondContact NH2-OG 3.32Å
141	H	93.1	Very high	90.2	Very high	60 Å²	60	44.2 Å²	44.2	28%	0.278	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	73.4	-168.8	-53.1	-66.9	0	0	0	111.5	I97	I97-H141 PolarHBondContact N-O 2.87Å
142	P	94.3	Very high	90.8	Very high	51 Å²	51	38.1 Å²	38.1	33%	0.331	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	136.6	171.9	30.4	-34	0	0	0	110.4	I97	I97-P142 CarbonylContact O-C 3.6Å; I97-P142 WeakPolarHBondContact O-CA 3.45Å
143	R	95.8	Very high	91.3	Very high	31 Å²	31	42.2 Å²	42.2	12%	0.117	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.4	178.8	-64.4	-67.1	-174.6	-90.7	-4.3	112.1	L96 I97 L98 S99 K104 Y105 V106 D110	L96-R143 HydrophobicContact CD1-CG 3.75Å; L96-R143 HydrophobicContact CD2-CB 4.15Å; L96-R143 HydrophobicContact CD2-CG 4.1Å; L96-R143 HydrophobicContact CG-CB 4.34Å; L96-R143 HydrophobicContact CG-CG 3.76Å; I97-R143 PolarHBondContact O-N 3.07Å; L98-R143 WeakPolarHBondContact CA-O 3.43Å; S99-R143 PolarHBondContact N-O 2.82Å; K104-R143 CarbonylContact O-C 3.51Å; K104-R143 WeakPolarHBondContact O-CA 3.11Å; K104-R143 WeakPolarHBondContact O-CD 3.35Å; Y105-R143 WeakPolarHBondContact O-CD 3.48Å; V106-R143 HydrophobicContact CG2-CB 3.54Å; V106-R143 HydrophobicContact CG2-CG 4.19Å; D110-R143 IonicContact OD1-CZ 3.69Å; D110-R143 IonicContact OD1-NE 3.74Å; D110-R143 PolarHBondContact OD1-NE 3.16Å; D110-R143 VanDerWaalsContact OD1-NE 3.16Å; D110-R143 IonicContact OD1-NH2 4Å; D110-R143 PolarHBondContact OD1-NH2 2.97Å; D110-R143 IonicContact OD2-CZ 2.71Å; D110-R143 IonicContact OD2-NE 3.4Å; D110-R143 PolarHBondContact OD2-NE 3.4Å
144	L	95.4	Very high	91.6	Very high	40 Å²	40	44.8 Å²	44.8	21%	0.209	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-94.3	147.3	167.2	-72.3	171.3	0	0	0	110.3	S99 G102 K104 Y105 V106	S99-L144 VanDerWaalsContact O-CD2 3.3Å; S99-L144 WeakPolarHBondContact O-CD2 3.42Å; G102-L144 WeakPolarHBondContact O-CD1 3.34Å; G102-L144 VanDerWaalsContact O-CG 3.23Å; G102-L144 WeakPolarHBondContact O-CG 3.37Å; K104-L144 PolarHBondContact O-N 3.21Å; Y105-L144 CarbonylContact C-O 3.42Å; Y105-L144 VanDerWaalsContact CA-O 3.31Å; Y105-L144 WeakPolarHBondContact CA-O 3.23Å; Y105-L144 HydrophobicContact CD1-CB 3.95Å; Y105-L144 HydrophobicContact CE1-CB 3.98Å; Y105-L144 HydrophobicContact CE2-CD1 4.41Å; Y105-L144 HydrophobicContact CG-CB 4.38Å; V106-L144 WeakPolarHBondContact CG2-O 3.45Å; V106-L144 PolarHBondContact N-O 3.34Å
145	L	95.7	Very high	92.1	Very high	36 Å²	36	44.5 Å²	44.5	19%	0.188	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-83.7	141.4	166.8	-75.9	171.1	0	0	0	109.5	L98 V106 L162 A167 A170 T171 I174	L98-L145 HydrophobicContact CD1-CD1 4.18Å; L98-L145 HydrophobicContact CD1-CG 4.45Å; L98-L145 HydrophobicContact CD2-CD2 4.38Å; L98-L145 HydrophobicContact CD2-CG 4.34Å; V106-L145 HydrophobicContact CB-CD2 4.41Å; V106-L145 HydrophobicContact CG2-CD2 4.03Å; L145-L162 HydrophobicContact CD1-CD1 3.75Å; L145-A167 HydrophobicContact CD1-CB 3.66Å; L145-A170 HydrophobicContact CD1-CB 4.32Å; L145-A170 HydrophobicContact CD2-CB 3.97Å; L145-T171 WeakPolarHBondContact CD2-OG1 3.39Å; L145-I174 HydrophobicContact CD2-CD1 4.26Å
146	P	95.5	Very high	92.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.013	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-67.3	173.9	171	28.9	-33.5	0	0	0	111.7	Y105 L148 I174 Y205 L214 E218	Y105-P146 HydrophobicContact CD1-CB 4.22Å; P146-L148 PolarHBondContact O-N 3.32Å; P146-L148 VanDerWaalsContact O-N 3.15Å; P146-I174 HydrophobicContact CG-CD1 3.69Å; P146-Y205 HydrophobicContact CB-CD2 4.5Å; P146-Y205 HydrophobicContact CB-CE1 4.39Å; P146-Y205 HydrophobicContact CB-CE2 3.86Å; P146-Y205 HydrophobicContact CG-CD2 3.87Å; P146-Y205 HydrophobicContact CG-CE2 3.64Å; P146-Y205 HydrophobicContact CG-CG 4.48Å; P146-L214 HydrophobicContact CB-CD2 3.63Å; P146-L214 HydrophobicContact CG-CD2 4.03Å; P146-E218 WeakPolarHBondContact CA-OE2 3.36Å; P146-E218 VanDerWaalsContact CB-OE2 3.29Å; P146-E218 WeakPolarHBondContact CB-OE2 3.43Å
147	Y	96.2	Very high	93	Very high	48 Å²	48	41 Å²	41	19%	0.188	23%	0.232	C	C	.	.	S	Bend	trans	-53.1	119.8	175.4	179.8	-87.2	0	0	0	111.5	V149 P159 L201 Y205 E218 Y221 L222	Y147-V149 HydrophobicContact CE1-CG2 4.02Å; Y147-P159 HydrophobicContact CD2-CB 4.08Å; Y147-P159 HydrophobicContact CE2-CB 3.29Å; Y147-P159 HydrophobicContact CE2-CG 4.37Å; Y147-L201 HydrophobicContact CD1-CD1 3.89Å; Y147-L201 HydrophobicContact CE1-CD1 4.2Å; Y147-Y205 PolarHBondContact O-OH 3.15Å; Y147-E218 VanDerWaalsContact CB-CD 3.44Å; Y147-E218 PolarHBondContact N-OE2 2.89Å; Y147-Y221 HydrophobicContact CD1-CD1 4.36Å; Y147-Y221 HydrophobicContact CD1-CE1 4.5Å; Y147-Y221 HydrophobicContact CE1-CD1 4.15Å; Y147-Y221 AromaticContact CE1-CE1 3.93Å; Y147-Y221 HydrophobicContact CE1-CE1 3.93Å; Y147-L222 HydrophobicContact CD1-CD2 4.23Å; Y147-L222 HydrophobicContact CD2-CD2 3.88Å; Y147-L222 HydrophobicContact CE1-CD2 4.06Å; Y147-L222 HydrophobicContact CE2-CD2 3.64Å; Y147-L222 HydrophobicContact CG-CD2 4.15Å
148	L	97	Very high	93.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	C	.	.			trans	-146.7	152.5	173.9	-69.8	170.2	0	0	0	108.7	P146 C160 L162 A170 F194 N198 L201 L202 Y205	P146-L148 PolarHBondContact O-N 3.32Å; P146-L148 VanDerWaalsContact O-N 3.15Å; L148-C160 PolarHBondContact O-N 3.5Å; L148-L162 HydrophobicContact CB-CD1 4.15Å; L148-L162 HydrophobicContact CB-CD2 4.23Å; L148-L162 HydrophobicContact CD1-CD1 4.21Å; L148-A170 HydrophobicContact CD1-CB 3.44Å; L148-A170 VanDerWaalsContact CD1-CB 3.44Å; L148-F194 HydrophobicContact CD1-CZ 4.27Å; L148-N198 HydrophobicContact CD2-CB 3.89Å; L148-L201 HydrophobicContact CD2-CB 4.21Å; L148-L201 HydrophobicContact CD2-CD1 4.42Å; L148-L202 HydrophobicContact CD1-CD2 4.12Å; L148-L202 HydrophobicContact CD2-CD2 3.84Å; L148-L202 HydrophobicContact CD2-CG 4.22Å; L148-Y205 HydrophobicContact CD2-CD2 4.42Å; L148-Y205 HydrophobicContact CD2-CE2 4.02Å; L148-Y205 HydrophobicContact CG-CE2 4.45Å
149	V	96.8	Very high	93.8	Very high	17 Å²	17	44.9 Å²	44.9	10%	0.103	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-99.1	131.4	-178.9	-171.5	0	0	0	0	109.5	Y147 G157 L197 N198	Y147-V149 HydrophobicContact CE1-CG2 4.02Å; V149-G157 VanDerWaalsContact CG1-C 3.45Å; V149-G157 VanDerWaalsContact CG1-CA 3.47Å; V149-G157 WeakPolarHBondContact CG1-O 3.14Å; V149-L197 HydrophobicContact CB-CD2 3.94Å; V149-L197 HydrophobicContact CB-CG 4.28Å; V149-L197 HydrophobicContact CG1-CD2 3.78Å; V149-L197 HydrophobicContact CG1-CG 4.43Å; V149-N198 PolarHBondContact N-OD1 2.87Å; V149-N198 PolarHBondContact O-ND2 3.38Å
150	A	96.9	Very high	94.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.261	C	S	.	.			trans	-74.2	139.4	179.9	0	0	0	0	0	111.5	N152 N155 Y156 G157 K158 L162	A150-N152 WeakPolarHBondContact CB-OD1 3.49Å; A150-N155 HydrophobicContact CB-CB 4.3Å; A150-Y156 CarbonylContact O-C 3.58Å; A150-Y156 WeakPolarHBondContact O-CA 3.49Å; A150-G157 PolarHBondContact O-N 2.79Å; A150-K158 PolarHBondContact N-O 3.15Å; A150-K158 VanDerWaalsContact N-O 3.12Å; A150-L162 HydrophobicContact CB-CD2 4.01Å
151	A	96.6	Very high	94.6	Very high	3 Å²	3	48 Å²	48	3%	0.025	26%	0.261	C	S	.	.			trans	-108.5	0.2	172.8	0	0	0	0	0	112.4	Y156 E166 V193 F194 L197	A151-Y156 HydrophobicContact CB-CD2 4.49Å; A151-Y156 HydrophobicContact CB-CE2 4.45Å; A151-E166 WeakPolarHBondContact CA-OE1 3.28Å; A151-E166 PolarHBondContact N-OE1 2.64Å; A151-V193 HydrophobicContact CB-CB 4.24Å; A151-V193 HydrophobicContact CB-CG1 4.18Å; A151-F194 VanDerWaalsContact CB-CA 3.46Å; A151-F194 HydrophobicContact CB-CB 3.83Å; A151-F194 HydrophobicContact CB-CD2 4.33Å; A151-L197 HydrophobicContact CB-CD2 4.13Å
152	N	93.3	Very high	94.6	Very high	11 Å²	11	46 Å²	46	6%	0.059	25%	0.252	C	S	.	.	S	Bend	trans	-64.7	146.6	176.3	67.3	-19.3	0	0	0	112.1	A150 V154 N155 Y156 E166 W190	A150-N152 WeakPolarHBondContact CB-OD1 3.49Å; N152-V154 PolarHBondContact O-N 3.26Å; N152-N155 PolarHBondContact O-N 3.49Å; N152-N155 WeakPolarHBondContact OD1-CA 3.41Å; N152-N155 WeakPolarHBondContact OD1-CB 3.22Å; N152-N155 PolarHBondContact OD1-N 3.43Å; N152-Y156 WeakPolarHBondContact O-CA 3.09Å; N152-Y156 WeakPolarHBondContact O-CB 3.12Å; N152-Y156 PolarHBondContact O-N 2.77Å; N152-E166 WeakPolarHBondContact CB-OE2 3.24Å; N152-E166 PolarHBondContact N-OE1 3.11Å; N152-W190 HydrophobicContact CB-CE3 4.44Å; N152-W190 HydrophobicContact CB-CH2 3.67Å; N152-W190 HydrophobicContact CB-CZ2 4.09Å; N152-W190 HydrophobicContact CB-CZ3 3.86Å
153	P	92.3	Very high	94.7	Very high	95 Å²	95	44.2 Å²	44.2	62%	0.617	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.2	-177.4	-27.1	34.1	0	0	0	115.4	W190	P153-W190 VanDerWaalsContact CD-CE2 3.42Å; P153-W190 VanDerWaalsContact CG-CD1 3.46Å; P153-W190 HydrophobicContact CG-CD2 4.34Å; P153-W190 HydrophobicContact CG-CG 3.95Å
154	V	90.6	Very high	94.6	Very high	99 Å²	99	43.5 Å²	43.5	60%	0.6	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-36.9	-176.4	-178.2	0	0	0	0	112	N152	N152-V154 PolarHBondContact O-N 3.26Å
155	N	92.2	Very high	94.7	Very high	23 Å²	23	41.6 Å²	41.6	12%	0.123	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	25.8	-174.7	-65.5	-44.2	0	0	0	112.2	A150 N152 G157 K158 K161	A150-N155 HydrophobicContact CB-CB 4.3Å; N152-N155 PolarHBondContact O-N 3.49Å; N152-N155 WeakPolarHBondContact OD1-CA 3.41Å; N152-N155 WeakPolarHBondContact OD1-CB 3.22Å; N152-N155 PolarHBondContact OD1-N 3.43Å; N155-G157 PolarHBondContact O-N 3.38Å; N155-K158 HydrophobicContact CB-CB 4.24Å; N155-K158 HydrophobicContact CB-CD 4.03Å; N155-K158 HydrophobicContact CB-CG 4.43Å; N155-K158 VanDerWaalsContact O-CB 3.23Å; N155-K158 WeakPolarHBondContact O-CB 3.36Å; N155-K158 WeakPolarHBondContact O-CG 3.44Å; N155-K158 PolarHBondContact O-N 2.92Å; N155-K161 HydrophobicContact CB-CB 3.88Å; N155-K161 PolarHBondContact ND2-O 2.8Å
156	Y	95.5	Very high	94.8	Very high	142 Å²	142	39.9 Å²	39.9	56%	0.557	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.3	130.6	-178.3	-173.5	-93.1	0	0	0	111.8	A150 A151 N152 K158 V193	A150-Y156 CarbonylContact O-C 3.58Å; A150-Y156 WeakPolarHBondContact O-CA 3.49Å; A151-Y156 HydrophobicContact CB-CD2 4.49Å; A151-Y156 HydrophobicContact CB-CE2 4.45Å; N152-Y156 WeakPolarHBondContact O-CA 3.09Å; N152-Y156 WeakPolarHBondContact O-CB 3.12Å; N152-Y156 PolarHBondContact O-N 2.77Å; Y156-K158 PolarHBondContact O-N 3.28Å; Y156-V193 HydrophobicContact CE2-CG1 4.19Å
157	G	94.1	Very high	94.8	Very high	43 Å²	43	40.3 Å²	40.3	44%	0.443	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-5.7	-179.5	0	0	0	0	0	114.9	V149 A150 N155	V149-G157 VanDerWaalsContact CG1-C 3.45Å; V149-G157 VanDerWaalsContact CG1-CA 3.47Å; V149-G157 WeakPolarHBondContact CG1-O 3.14Å; A150-G157 PolarHBondContact O-N 2.79Å; N155-G157 PolarHBondContact O-N 3.38Å
158	K	94.3	Very high	94.9	Very high	106 Å²	106	38 Å²	38	46%	0.461	22%	0.217	S	C	.	.			trans	-83.4	130	179.7	-61.6	-177.8	-176.4	168.8	0	110.7	A150 N155 Y156 K161	A150-K158 PolarHBondContact N-O 3.15Å; A150-K158 VanDerWaalsContact N-O 3.12Å; N155-K158 HydrophobicContact CB-CB 4.24Å; N155-K158 HydrophobicContact CB-CD 4.03Å; N155-K158 HydrophobicContact CB-CG 4.43Å; N155-K158 VanDerWaalsContact O-CB 3.23Å; N155-K158 WeakPolarHBondContact O-CB 3.36Å; N155-K158 WeakPolarHBondContact O-CG 3.44Å; N155-K158 PolarHBondContact O-N 2.92Å; Y156-K158 PolarHBondContact O-N 3.28Å; K158-K161 HydrophobicContact CB-CB 3.99Å; K158-K161 HydrophobicContact CB-CG 4.1Å
159	P	94	Very high	94.9	Very high	66 Å²	66	38 Å²	38	43%	0.429	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-69.8	142.2	178.2	29.5	-35.2	0	0	0	111.2	Y147 K161	Y147-P159 HydrophobicContact CD2-CB 4.08Å; Y147-P159 HydrophobicContact CE2-CB 3.29Å; Y147-P159 HydrophobicContact CE2-CG 4.37Å; P159-K161 PolarHBondContact O-N 3.33Å
160	C	92.9	Very high	95	Very high	62 Å²	62	37.2 Å²	37.2	42%	0.419	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	15.1	174.7	-52.5	0	0	0	0	115.1	W126 L148	W126-C160 WeakPolarHBondContact CH2-O 3.49Å; W126-C160 WeakPolarHBondContact CZ2-O 3.49Å; L148-C160 PolarHBondContact O-N 3.5Å
161	K	93.3	Very high	95	Very high	73 Å²	73	37.2 Å²	37.2	32%	0.317	21%	0.212	S	C	.	.			trans	-104.3	40.7	179.2	-66.9	-62.8	-177.8	-175.8	0	112.6	W126 N155 K158 P159	W126-K161 HydrophobicContact CD2-CD 3.51Å; W126-K161 HydrophobicContact CE3-CD 3.62Å; W126-K161 HydrophobicContact CG-CD 4Å; W126-K161 HydrophobicContact CH2-CD 4.23Å; W126-K161 HydrophobicContact CZ2-CD 4.14Å; W126-K161 HydrophobicContact CZ3-CD 3.98Å; N155-K161 HydrophobicContact CB-CB 3.88Å; N155-K161 PolarHBondContact ND2-O 2.8Å; K158-K161 HydrophobicContact CB-CB 3.99Å; K158-K161 HydrophobicContact CB-CG 4.1Å; P159-K161 PolarHBondContact O-N 3.33Å
162	L	94.7	Very high	95.1	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.089	21%	0.21	C	C	.	.			trans	-63.1	148.8	-178.4	-54	-176.9	0	0	0	111.8	W126 L145 L148 A150 E166 A170 F194	W126-L162 PolarHBondContact NE1-O 3.4Å; L145-L162 HydrophobicContact CD1-CD1 3.75Å; L148-L162 HydrophobicContact CB-CD1 4.15Å; L148-L162 HydrophobicContact CB-CD2 4.23Å; L148-L162 HydrophobicContact CD1-CD1 4.21Å; A150-L162 HydrophobicContact CB-CD2 4.01Å; L162-E166 HydrophobicContact CB-CB 4.07Å; L162-E166 HydrophobicContact CD2-CB 4.36Å; L162-A170 HydrophobicContact CD1-CB 4.48Å; L162-F194 HydrophobicContact CD2-CE2 3.7Å; L162-F194 HydrophobicContact CD2-CZ 4.4Å
163	S	94.9	Very high	95.3	Very high	15 Å²	15	37 Å²	37	11%	0.105	21%	0.21	C	C	.	.			trans	-83.7	166.6	167.2	69.6	0	0	0	0	111.5	T74 V165 E166 A167	T74-S163 WeakPolarHBondContact OG1-CB 3.45Å; S163-V165 VanDerWaalsContact C-N 3.28Å; S163-V165 PolarHBondContact O-N 3.36Å; S163-V165 WeakPolarHBondContact OG-CG1 3.47Å; S163-E166 WeakPolarHBondContact CB-OE2 3.35Å; S163-E166 PolarHBondContact N-OE2 3.28Å; S163-E166 PolarHBondContact O-N 2.86Å; S163-E166 VanDerWaalsContact O-N 3.12Å; S163-E166 WeakPolarHBondContact OG-CG 3.49Å; S163-E166 PolarHBondContact OG-OE2 3.28Å; S163-A167 WeakPolarHBondContact O-CB 3.17Å; S163-A167 PolarHBondContact O-N 3.34Å
164	C	94.8	Very high	95.5	Very high	15 Å²	15	32.4 Å²	32.4	10%	0.101	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-39.3	-178.5	-58.2	0	0	0	0	113.4	T74 V121 A167 F168	T74-C164 PolarHBondContact OG1-N 3.33Å; V121-C164 HydrophobicContact CG2-CB 4.1Å; C164-A167 PolarHBondContact O-N 2.81Å; C164-F168 WeakPolarHBondContact O-CD2 3.36Å; C164-F168 PolarHBondContact O-N 3.24Å; C164-F168 VanDerWaalsContact O-N 3.12Å
165	V	96.8	Very high	95.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.1	-41.3	177.2	64.4	0	0	0	0	112.1	T74 L78 S163 A167 F168 A169 L184 L185 F188 W190	T74-V165 HydrophobicContact CG2-CG1 3.96Å; L78-V165 HydrophobicContact CD1-CB 4.03Å; L78-V165 HydrophobicContact CD1-CG2 4.12Å; S163-V165 VanDerWaalsContact C-N 3.28Å; S163-V165 PolarHBondContact O-N 3.36Å; S163-V165 WeakPolarHBondContact OG-CG1 3.47Å; V165-A167 VanDerWaalsContact C-N 3.3Å; V165-A167 PolarHBondContact O-N 3.33Å; V165-F168 PolarHBondContact O-N 3.03Å; V165-A169 WeakPolarHBondContact O-CB 3.38Å; V165-A169 PolarHBondContact O-N 3.11Å; V165-L184 HydrophobicContact CG2-CB 4.16Å; V165-L185 HydrophobicContact CG2-CD2 4.09Å; V165-F188 HydrophobicContact CB-CE2 3.93Å; V165-F188 HydrophobicContact CB-CZ 4.11Å; V165-F188 HydrophobicContact CG1-CD2 4.28Å; V165-F188 HydrophobicContact CG1-CE1 4.37Å; V165-F188 HydrophobicContact CG1-CE2 4.02Å; V165-F188 HydrophobicContact CG1-CZ 4.05Å; V165-F188 HydrophobicContact CG2-CD2 3.99Å; V165-F188 HydrophobicContact CG2-CE2 3.56Å; V165-F188 HydrophobicContact CG2-CZ 4.25Å; V165-W190 HydrophobicContact CG1-CH2 3.8Å; V165-W190 HydrophobicContact CG1-CZ2 4.5Å
166	E	97.4	Very high	95.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-37	176.6	-69.5	164.7	128.9	0	0	110.6	A151 N152 L162 S163 A169 A170 W190 F194	A151-E166 WeakPolarHBondContact CA-OE1 3.28Å; A151-E166 PolarHBondContact N-OE1 2.64Å; N152-E166 WeakPolarHBondContact CB-OE2 3.24Å; N152-E166 PolarHBondContact N-OE1 3.11Å; L162-E166 HydrophobicContact CB-CB 4.07Å; L162-E166 HydrophobicContact CD2-CB 4.36Å; S163-E166 WeakPolarHBondContact CB-OE2 3.35Å; S163-E166 PolarHBondContact N-OE2 3.28Å; S163-E166 PolarHBondContact O-N 2.86Å; S163-E166 VanDerWaalsContact O-N 3.12Å; S163-E166 WeakPolarHBondContact OG-CG 3.49Å; S163-E166 PolarHBondContact OG-OE2 3.28Å; E166-A169 PolarHBondContact O-N 2.97Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 3.2Å; E166-W190 HydrophobicContact CG-CH2 4.29Å; E166-W190 HydrophobicContact CG-CZ3 3.95Å; E166-F194 HydrophobicContact CB-CD2 4.04Å; E166-F194 HydrophobicContact CB-CE1 4.48Å; E166-F194 HydrophobicContact CB-CE2 3.94Å; E166-F194 HydrophobicContact CB-CG 4.37Å; E166-F194 HydrophobicContact CB-CZ 4.16Å; E166-F194 HydrophobicContact CG-CB 4.37Å; E166-F194 HydrophobicContact CG-CD1 4.49Å; E166-F194 HydrophobicContact CG-CD2 3.71Å; E166-F194 HydrophobicContact CG-CE2 4.15Å; E166-F194 HydrophobicContact CG-CG 3.91Å
167	A	97.1	Very high	96	Very high	12 Å²	12	22 Å²	22	10%	0.099	14%	0.141	C	C	.	.	H	α-helix	trans	-62.1	-46.4	175.6	0	0	0	0	0	111.9	L98 V121 L145 S163 C164 V165 T171	L98-A167 HydrophobicContact CD1-CB 3.85Å; L98-A167 WeakPolarHBondContact CD1-O 3.29Å; V121-A167 HydrophobicContact CG1-CB 4.44Å; L145-A167 HydrophobicContact CD1-CB 3.66Å; S163-A167 WeakPolarHBondContact O-CB 3.17Å; S163-A167 PolarHBondContact O-N 3.34Å; C164-A167 PolarHBondContact O-N 2.81Å; V165-A167 VanDerWaalsContact C-N 3.3Å; V165-A167 PolarHBondContact O-N 3.33Å; A167-T171 PolarHBondContact O-N 2.9Å; A167-T171 VanDerWaalsContact O-N 3.11Å; A167-T171 PolarHBondContact O-OG1 3.33Å
168	F	97.7	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60	-48.6	172.7	-76.4	-59.9	0	0	0	111.9	L60 A61 L78 V84 L119 V121 C164 V165 A170 T171 F172 L184	L60-F168 HydrophobicContact CB-CE1 4.24Å; L60-F168 HydrophobicContact CB-CZ 4.24Å; L60-F168 HydrophobicContact CD1-CD1 4.5Å; L60-F168 HydrophobicContact CD2-CD1 3.84Å; L60-F168 HydrophobicContact CD2-CE1 3.76Å; L60-F168 HydrophobicContact CG-CE1 4.44Å; A61-F168 WeakPolarHBondContact O-CZ 3.23Å; L78-F168 HydrophobicContact CD1-CD2 4.01Å; L78-F168 HydrophobicContact CD1-CE2 4.26Å; V84-F168 HydrophobicContact CG2-CE2 3.8Å; V84-F168 HydrophobicContact CG2-CZ 4.12Å; L119-F168 HydrophobicContact CB-CD1 3.9Å; L119-F168 HydrophobicContact CB-CE1 3.78Å; L119-F168 HydrophobicContact CD1-CD1 4.15Å; V121-F168 HydrophobicContact CB-CE1 4.45Å; V121-F168 HydrophobicContact CB-CE2 4.26Å; V121-F168 HydrophobicContact CB-CZ 4.03Å; V121-F168 HydrophobicContact CG1-CD1 3.86Å; V121-F168 HydrophobicContact CG1-CD2 4.09Å; V121-F168 HydrophobicContact CG1-CE1 3.56Å; V121-F168 HydrophobicContact CG1-CE2 3.81Å; V121-F168 HydrophobicContact CG1-CG 4.12Å; V121-F168 HydrophobicContact CG1-CZ 3.54Å; V121-F168 HydrophobicContact CG2-CD2 4.34Å; V121-F168 HydrophobicContact CG2-CE1 4.31Å; V121-F168 HydrophobicContact CG2-CE2 3.44Å; V121-F168 VanDerWaalsContact CG2-CE2 3.44Å; V121-F168 HydrophobicContact CG2-CZ 3.43Å; V121-F168 VanDerWaalsContact CG2-CZ 3.43Å; C164-F168 WeakPolarHBondContact O-CD2 3.36Å; C164-F168 PolarHBondContact O-N 3.24Å; C164-F168 VanDerWaalsContact O-N 3.12Å; V165-F168 PolarHBondContact O-N 3.03Å; F168-A170 PolarHBondContact O-N 2.78Å; F168-T171 PolarHBondContact O-N 2.79Å; F168-F172 HydrophobicContact CB-CE2 4.48Å; F168-F172 WeakPolarHBondContact O-CD2 3.5Å; F168-F172 WeakPolarHBondContact O-CG 3.23Å; F168-F172 PolarHBondContact O-N 3Å; F168-L184 HydrophobicContact CB-CD1 3.77Å; F168-L184 HydrophobicContact CG-CD1 4.45Å
169	A	97.8	Very high	96.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-45.3	-178.7	0	0	0	0	0	112.1	V165 E166 T171 F172 C173 A181 L185 F194	V165-A169 WeakPolarHBondContact O-CB 3.38Å; V165-A169 PolarHBondContact O-N 3.11Å; E166-A169 PolarHBondContact O-N 2.97Å; A169-T171 PolarHBondContact O-N 3.11Å; A169-F172 PolarHBondContact O-N 2.93Å; A169-C173 PolarHBondContact O-N 3.09Å; A169-C173 PolarHBondContact O-SG 3.41Å; A169-C173 VanDerWaalsContact O-SG 3.38Å; A169-A181 HydrophobicContact CB-CB 3.86Å; A169-A181 WeakPolarHBondContact O-CB 3.46Å; A169-L185 HydrophobicContact CB-CD1 3.64Å; A169-L185 HydrophobicContact CB-CD2 3.97Å; A169-L185 HydrophobicContact CB-CG 3.74Å; A169-F194 HydrophobicContact CB-CD1 4.36Å; A169-F194 HydrophobicContact CB-CE1 4.27Å
170	A	97.8	Very high	96.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55.8	-50.4	175.4	0	0	0	0	0	111.4	L145 L148 L162 E166 F168 F172 C173 I174 F194	L145-A170 HydrophobicContact CD1-CB 4.32Å; L145-A170 HydrophobicContact CD2-CB 3.97Å; L148-A170 HydrophobicContact CD1-CB 3.44Å; L148-A170 VanDerWaalsContact CD1-CB 3.44Å; L162-A170 HydrophobicContact CD1-CB 4.48Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 3.2Å; F168-A170 PolarHBondContact O-N 2.78Å; A170-F172 VanDerWaalsContact C-N 3.33Å; A170-F172 PolarHBondContact O-N 3.35Å; A170-C173 PolarHBondContact O-N 3.27Å; A170-I174 WeakPolarHBondContact O-CD1 3.4Å; A170-I174 VanDerWaalsContact O-CG1 3.23Å; A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 3.33Å; A170-F194 HydrophobicContact CB-CE1 4.22Å; A170-F194 HydrophobicContact CB-CZ 3.99Å
171	T	97.7	Very high	96.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.4	-45.9	177.3	-62.1	0	0	0	0	111.5	L96 L98 V106 L119 L145 A167 F168 A169 C173 I174 V175	L96-T171 HydrophobicContact CD2-CG2 4.26Å; L98-T171 WeakPolarHBondContact CD1-OG1 3.4Å; L98-T171 WeakPolarHBondContact CD2-OG1 3.49Å; V106-T171 HydrophobicContact CG1-CG2 3.92Å; L119-T171 HydrophobicContact CD1-CG2 3.69Å; L119-T171 HydrophobicContact CD2-CG2 3.68Å; L119-T171 HydrophobicContact CG-CG2 4.36Å; L145-T171 WeakPolarHBondContact CD2-OG1 3.39Å; A167-T171 PolarHBondContact O-N 2.9Å; A167-T171 VanDerWaalsContact O-N 3.11Å; A167-T171 PolarHBondContact O-OG1 3.33Å; F168-T171 PolarHBondContact O-N 2.79Å; A169-T171 PolarHBondContact O-N 3.11Å; T171-C173 VanDerWaalsContact C-N 3.35Å; T171-C173 PolarHBondContact O-N 2.96Å; T171-I174 PolarHBondContact O-N 3.24Å; T171-V175 HydrophobicContact CG2-CG1 4.45Å; T171-V175 WeakPolarHBondContact O-CG2 3.26Å; T171-V175 PolarHBondContact O-N 3.45Å
172	F	97.9	Very high	96.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.6	-42.3	178	-78	-47.4	0	0	0	112.9	L60 V114 L119 F168 A169 A170 G176 F177 L180 A181 L184	L60-F172 HydrophobicContact CD1-CE2 4.28Å; L60-F172 HydrophobicContact CD2-CE2 4.01Å; L60-F172 HydrophobicContact CD2-CZ 3.66Å; V114-F172 HydrophobicContact CG1-CD1 4.21Å; V114-F172 HydrophobicContact CG1-CE1 3.8Å; L119-F172 HydrophobicContact CD1-CD1 3.91Å; L119-F172 HydrophobicContact CD1-CD2 4.31Å; L119-F172 HydrophobicContact CD1-CE1 3.58Å; L119-F172 HydrophobicContact CD1-CE2 4.01Å; L119-F172 HydrophobicContact CD1-CG 4.28Å; L119-F172 HydrophobicContact CD1-CZ 3.66Å; L119-F172 HydrophobicContact CG-CE1 4.37Å; L119-F172 HydrophobicContact CG-CZ 4.48Å; F168-F172 HydrophobicContact CB-CE2 4.48Å; F168-F172 WeakPolarHBondContact O-CD2 3.5Å; F168-F172 WeakPolarHBondContact O-CG 3.23Å; F168-F172 PolarHBondContact O-N 3Å; A169-F172 PolarHBondContact O-N 2.93Å; A170-F172 VanDerWaalsContact C-N 3.33Å; A170-F172 PolarHBondContact O-N 3.35Å; F172-G176 PolarHBondContact O-N 2.91Å; F172-F177 HydrophobicContact CB-CB 4.44Å; F172-F177 HydrophobicContact CD1-CB 4.03Å; F172-F177 HydrophobicContact CD1-CD2 4.26Å; F172-F177 CarbonylContact O-C 3.51Å; F172-F177 WeakPolarHBondContact O-CA 3.33Å; F172-F177 PolarHBondContact O-N 2.91Å; F172-L180 HydrophobicContact CB-CB 4.41Å; F172-L180 HydrophobicContact CD1-CB 4Å; F172-L180 HydrophobicContact CD1-CD1 3.77Å; F172-L180 HydrophobicContact CD1-CG 4.49Å; F172-L180 HydrophobicContact CD2-CB 3.84Å; F172-L180 HydrophobicContact CE1-CB 4.12Å; F172-L180 HydrophobicContact CE1-CD1 3.4Å; F172-L180 HydrophobicContact CE1-CG 4.4Å; F172-L180 HydrophobicContact CE2-CB 3.96Å; F172-L180 HydrophobicContact CG-CB 3.84Å; F172-L180 HydrophobicContact CG-CD1 4.47Å; F172-L180 HydrophobicContact CZ-CB 4.07Å; F172-L180 HydrophobicContact CZ-CD1 3.81Å; F172-A181 HydrophobicContact CB-CB 4.01Å; F172-L184 HydrophobicContact CD2-CD1 4.08Å; F172-L184 HydrophobicContact CE2-CD1 3.76Å
173	C	97.5	Very high	96.6	Very high	8 Å²	8	12.7 Å²	12.7	5%	0.054	8%	0.08	C	C	.	.	H	α-helix	trans	-62	-48.6	173.9	-71.3	0	0	0	0	111.7	A169 A170 T171 V175 G176 L195 L202	A169-C173 PolarHBondContact O-N 3.09Å; A169-C173 PolarHBondContact O-SG 3.41Å; A169-C173 VanDerWaalsContact O-SG 3.38Å; A170-C173 PolarHBondContact O-N 3.27Å; T171-C173 VanDerWaalsContact C-N 3.35Å; T171-C173 PolarHBondContact O-N 2.96Å; C173-V175 VanDerWaalsContact C-N 3.33Å; C173-V175 PolarHBondContact O-N 3.18Å; C173-G176 PolarHBondContact O-N 3.46Å; C173-L195 VanDerWaalsContact SG-CD2 3.56Å; C173-L202 HydrophobicContact CB-CB 4.37Å; C173-L202 HydrophobicContact CB-CD1 4.23Å; C173-L202 HydrophobicContact CB-CD2 3.9Å; C173-L202 HydrophobicContact CB-CG 4.39Å
174	I	97.3	Very high	96.6	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.3	-42.6	-179.2	-65.2	162.6	0	0	0	110.9	V106 P108 L145 P146 A170 T171 G176 L202 Y205 L214	V106-I174 HydrophobicContact CG1-CB 4.17Å; V106-I174 HydrophobicContact CG1-CD1 4.29Å; V106-I174 HydrophobicContact CG1-CG2 3.91Å; P108-I174 HydrophobicContact CG-CG2 4.4Å; P108-I174 WeakPolarHBondContact CG-O 3.41Å; L145-I174 HydrophobicContact CD2-CD1 4.26Å; P146-I174 HydrophobicContact CG-CD1 3.69Å; A170-I174 WeakPolarHBondContact O-CD1 3.4Å; A170-I174 VanDerWaalsContact O-CG1 3.23Å; A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 3.33Å; T171-I174 PolarHBondContact O-N 3.24Å; I174-G176 PolarHBondContact O-N 3.3Å; I174-L202 HydrophobicContact CG1-CD2 4.43Å; I174-Y205 HydrophobicContact CG1-CD2 4.43Å; I174-L214 HydrophobicContact CG2-CD1 4.18Å
175	V	96.3	Very high	96.7	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.012	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	2	179.5	-54.6	0	0	0	0	114.5	V106 D110 R111 V114 T171 C173 F177	V106-V175 HydrophobicContact CG1-CG1 4.32Å; D110-V175 HydrophobicContact CB-CG1 4.34Å; R111-V175 HydrophobicContact CB-CB 4.21Å; R111-V175 WeakPolarHBondContact CD-O 3.2Å; R111-V175 WeakPolarHBondContact CG-O 3.45Å; V114-V175 HydrophobicContact CG1-CG2 4.41Å; V114-V175 HydrophobicContact CG2-CG1 4.21Å; V114-V175 HydrophobicContact CG2-CG2 4.42Å; T171-V175 HydrophobicContact CG2-CG1 4.45Å; T171-V175 WeakPolarHBondContact O-CG2 3.26Å; T171-V175 PolarHBondContact O-N 3.45Å; C173-V175 VanDerWaalsContact C-N 3.33Å; C173-V175 PolarHBondContact O-N 3.18Å; V175-F177 HydrophobicContact CG2-CB 4.33Å; V175-F177 HydrophobicContact CG2-CD2 3.37Å; V175-F177 HydrophobicContact CG2-CE2 3.88Å; V175-F177 HydrophobicContact CG2-CG 4.02Å
176	G	95.1	Very high	96.6	Very high	42 Å²	42	17.2 Å²	17.2	43%	0.433	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	21.7	177.9	0	0	0	0	0	115.6	F172 C173 I174	F172-G176 PolarHBondContact O-N 2.91Å; C173-G176 PolarHBondContact O-N 3.46Å; I174-G176 PolarHBondContact O-N 3.3Å
177	F	96.1	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.			trans	-108.6	50	174.7	-58.4	-38.6	0	0	0	111.9	L28 F31 T32 M35 R111 V114 A115 F172 V175 D179 L180	L28-F177 HydrophobicContact CD1-CE1 4.12Å; L28-F177 HydrophobicContact CD1-CZ 3.81Å; F31-F177 HydrophobicContact CD1-CD1 4.29Å; F31-F177 AromaticContact CD1-CE1 3.71Å; F31-F177 HydrophobicContact CD1-CE1 3.71Å; F31-F177 HydrophobicContact CD1-CE2 4.28Å; F31-F177 AromaticContact CD1-CZ 3.72Å; F31-F177 HydrophobicContact CD1-CZ 3.72Å; F31-F177 AromaticContact CE1-CD1 3.79Å; F31-F177 HydrophobicContact CE1-CD1 3.79Å; F31-F177 AromaticContact CE1-CD2 3.76Å; F31-F177 HydrophobicContact CE1-CD2 3.76Å; F31-F177 AromaticContact CE1-CE1 3.56Å; F31-F177 HydrophobicContact CE1-CE1 3.56Å; F31-F177 AromaticContact CE1-CE2 3.55Å; F31-F177 HydrophobicContact CE1-CE2 3.55Å; F31-F177 AromaticContact CE1-CG 3.89Å; F31-F177 HydrophobicContact CE1-CG 3.89Å; F31-F177 AromaticContact CE1-CZ 3.43Å; F31-F177 HydrophobicContact CE1-CZ 3.43Å; F31-F177 VanDerWaalsContact CE1-CZ 3.43Å; F31-F177 HydrophobicContact CZ-CD2 4.28Å; F31-F177 HydrophobicContact CZ-CE2 4.14Å; F31-F177 HydrophobicContact CZ-CZ 4.39Å; T32-F177 HydrophobicContact CG2-CE1 4.28Å; M35-F177 HydrophobicContact SD-CB 3.92Å; M35-F177 HydrophobicContact SD-CD1 4.16Å; M35-F177 HydrophobicContact SD-CG 4.4Å; R111-F177 HydrophobicContact CG-CE1 3.93Å; R111-F177 HydrophobicContact CG-CE2 3.84Å; R111-F177 HydrophobicContact CG-CZ 3.33Å; V114-F177 HydrophobicContact CB-CE2 4.12Å; V114-F177 HydrophobicContact CG1-CD2 3.96Å; V114-F177 HydrophobicContact CG1-CE2 3.93Å; A115-F177 HydrophobicContact CB-CE2 4.32Å; A115-F177 HydrophobicContact CB-CZ 4.09Å; F172-F177 HydrophobicContact CB-CB 4.44Å; F172-F177 HydrophobicContact CD1-CB 4.03Å; F172-F177 HydrophobicContact CD1-CD2 4.26Å; F172-F177 CarbonylContact O-C 3.51Å; F172-F177 WeakPolarHBondContact O-CA 3.33Å; F172-F177 PolarHBondContact O-N 2.91Å; V175-F177 HydrophobicContact CG2-CB 4.33Å; V175-F177 HydrophobicContact CG2-CD2 3.37Å; V175-F177 HydrophobicContact CG2-CE2 3.88Å; V175-F177 HydrophobicContact CG2-CG 4.02Å; F177-D179 PolarHBondContact O-N 3.4Å; F177-D179 VanDerWaalsContact O-N 3.17Å; F177-L180 HydrophobicContact CB-CD1 4.01Å; F177-L180 HydrophobicContact CB-CG 4.31Å; F177-L180 HydrophobicContact CG-CD1 4.49Å; F177-L180 PolarHBondContact O-N 3.27Å; F177-L180 VanDerWaalsContact O-N 3.09Å
178	Q	95.6	Very high	96.3	Very high	99 Å²	99	19.5 Å²	19.5	46%	0.463	10%	0.101	S	C	.	.	H	α-helix	trans	-56.1	-34.6	-173	-172.9	173.3	16.1	0	0	113.6	L180 A181 V182	Q178-L180 VanDerWaalsContact C-N 3.27Å; Q178-L180 PolarHBondContact O-N 3.28Å; Q178-A181 WeakPolarHBondContact O-CA 3.48Å; Q178-A181 VanDerWaalsContact O-CB 3.25Å; Q178-A181 WeakPolarHBondContact O-CB 3.49Å; Q178-A181 PolarHBondContact O-N 2.95Å; Q178-V182 WeakPolarHBondContact O-CG2 3.21Å; Q178-V182 PolarHBondContact O-N 3.44Å
179	D	95.9	Very high	96.1	Very high	39 Å²	39	29.9 Å²	29.9	21%	0.209	15%	0.146	C	C	.	.	H	α-helix	trans	-58.6	-38.6	178.7	-68.4	-0.3	0	0	0	112.1	M35 H36 L39 F177 A181 V182 I183	M35-D179 HydrophobicContact CE-CB 3.87Å; M35-D179 WeakPolarHBondContact CE-OD2 3.17Å; M35-D179 HydrophobicContact CG-CB 3.64Å; M35-D179 HydrophobicContact SD-CB 3.81Å; H36-D179 IonicContact ND1-OD2 2.78Å; L39-D179 HydrophobicContact CB-CB 4.17Å; L39-D179 HydrophobicContact CD2-CB 3.85Å; L39-D179 VanDerWaalsContact CD2-CG 3.44Å; L39-D179 HydrophobicContact CG-CB 4.47Å; F177-D179 PolarHBondContact O-N 3.4Å; F177-D179 VanDerWaalsContact O-N 3.17Å; D179-A181 VanDerWaalsContact C-N 3.33Å; D179-A181 PolarHBondContact O-N 2.91Å; D179-V182 PolarHBondContact O-N 2.86Å; D179-I183 VanDerWaalsContact O-CG1 3.27Å; D179-I183 WeakPolarHBondContact O-CG1 3.31Å; D179-I183 PolarHBondContact O-N 3.26Å
180	L	96.2	Very high	96	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.9	-38.3	175.5	-59.4	-178.8	0	0	0	111.7	F31 M35 L56 P57 F172 F177 Q178 I183 L184	F31-L180 HydrophobicContact CE1-CD1 4.23Å; F31-L180 HydrophobicContact CZ-CD1 3.87Å; M35-L180 HydrophobicContact CB-CD2 4.15Å; M35-L180 HydrophobicContact CB-CG 4.5Å; M35-L180 HydrophobicContact CG-CD2 3.65Å; M35-L180 HydrophobicContact CG-CG 3.72Å; M35-L180 HydrophobicContact SD-CG 3.98Å; L56-L180 HydrophobicContact CD2-CD2 3.95Å; P57-L180 HydrophobicContact CG-CD1 4.28Å; P57-L180 HydrophobicContact CG-CD2 3.91Å; F172-L180 HydrophobicContact CB-CB 4.41Å; F172-L180 HydrophobicContact CD1-CB 4Å; F172-L180 HydrophobicContact CD1-CD1 3.77Å; F172-L180 HydrophobicContact CD1-CG 4.49Å; F172-L180 HydrophobicContact CD2-CB 3.84Å; F172-L180 HydrophobicContact CE1-CB 4.12Å; F172-L180 HydrophobicContact CE1-CD1 3.4Å; F172-L180 HydrophobicContact CE1-CG 4.4Å; F172-L180 HydrophobicContact CE2-CB 3.96Å; F172-L180 HydrophobicContact CG-CB 3.84Å; F172-L180 HydrophobicContact CG-CD1 4.47Å; F172-L180 HydrophobicContact CZ-CB 4.07Å; F172-L180 HydrophobicContact CZ-CD1 3.81Å; F177-L180 HydrophobicContact CB-CD1 4.01Å; F177-L180 HydrophobicContact CB-CG 4.31Å; F177-L180 HydrophobicContact CG-CD1 4.49Å; F177-L180 PolarHBondContact O-N 3.27Å; F177-L180 VanDerWaalsContact O-N 3.09Å; Q178-L180 VanDerWaalsContact C-N 3.27Å; Q178-L180 PolarHBondContact O-N 3.28Å; L180-I183 HydrophobicContact CD2-CD1 4.31Å; L180-I183 PolarHBondContact O-N 2.83Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 3.13Å
181	A	96.7	Very high	95.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-45.6	174.6	0	0	0	0	0	110.9	A169 F172 Q178 D179 I183 L184 L185	A169-A181 HydrophobicContact CB-CB 3.86Å; A169-A181 WeakPolarHBondContact O-CB 3.46Å; F172-A181 HydrophobicContact CB-CB 4.01Å; Q178-A181 WeakPolarHBondContact O-CA 3.48Å; Q178-A181 VanDerWaalsContact O-CB 3.25Å; Q178-A181 WeakPolarHBondContact O-CB 3.49Å; Q178-A181 PolarHBondContact O-N 2.95Å; D179-A181 VanDerWaalsContact C-N 3.33Å; D179-A181 PolarHBondContact O-N 2.91Å; A181-I183 PolarHBondContact O-N 2.89Å; A181-L184 PolarHBondContact O-N 2.88Å; A181-L185 WeakPolarHBondContact O-CB 3.39Å; A181-L185 VanDerWaalsContact O-CG 3.3Å; A181-L185 WeakPolarHBondContact O-CG 3.42Å; A181-L185 PolarHBondContact O-N 3.38Å
182	V	96.4	Very high	95.6	Very high	34 Å²	34	35.7 Å²	35.7	21%	0.206	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-45.6	178	174.5	0	0	0	0	111.2	L39 Q178 D179 L184 L185 R186 L195	L39-V182 HydrophobicContact CD1-CB 4.35Å; L39-V182 HydrophobicContact CD1-CG1 3.98Å; Q178-V182 WeakPolarHBondContact O-CG2 3.21Å; Q178-V182 PolarHBondContact O-N 3.44Å; D179-V182 PolarHBondContact O-N 2.86Å; V182-L184 VanDerWaalsContact C-N 3.31Å; V182-L184 PolarHBondContact O-N 3.17Å; V182-L185 PolarHBondContact O-N 3.18Å; V182-R186 HydrophobicContact CG1-CG 4.15Å; V182-R186 WeakPolarHBondContact O-CB 3.43Å; V182-R186 WeakPolarHBondContact O-CG 3.3Å; V182-R186 PolarHBondContact O-N 3.08Å; V182-L195 HydrophobicContact CG2-CD1 3.83Å
183	I	95.4	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.1	-45.1	178.2	-66.9	164.1	0	0	0	111.2	A38 L39 V54 L56 F83 D179 L180 A181 K187	A38-I183 HydrophobicContact CB-CD1 3.93Å; L39-I183 HydrophobicContact CB-CD1 4.14Å; L39-I183 HydrophobicContact CB-CG1 4.33Å; L39-I183 HydrophobicContact CD1-CG1 3.85Å; V54-I183 HydrophobicContact CG1-CD1 4.44Å; V54-I183 HydrophobicContact CG1-CG2 3.97Å; L56-I183 HydrophobicContact CD2-CD1 4.27Å; L56-I183 HydrophobicContact CD2-CG2 4.01Å; F83-I183 HydrophobicContact CE1-CG2 4.13Å; F83-I183 HydrophobicContact CZ-CG2 4.34Å; D179-I183 VanDerWaalsContact O-CG1 3.27Å; D179-I183 WeakPolarHBondContact O-CG1 3.31Å; D179-I183 PolarHBondContact O-N 3.26Å; L180-I183 HydrophobicContact CD2-CD1 4.31Å; L180-I183 PolarHBondContact O-N 2.83Å; A181-I183 PolarHBondContact O-N 2.89Å; I183-K187 WeakPolarHBondContact O-CE 3.23Å
184	L	95.6	Very high	95.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.6	-48.1	180	-70.6	-178.6	0	0	0	112.2	L56 L60 L78 F83 V165 F168 F172 L180 A181 V182 R186 K187	L56-L184 HydrophobicContact CD1-CD2 4.13Å; L60-L184 HydrophobicContact CD1-CD1 3.88Å; L60-L184 HydrophobicContact CD1-CD2 4.06Å; L78-L184 HydrophobicContact CD2-CD2 3.91Å; F83-L184 HydrophobicContact CB-CD2 4.12Å; F83-L184 HydrophobicContact CD1-CD2 4.22Å; F83-L184 HydrophobicContact CD2-CD2 4.49Å; F83-L184 HydrophobicContact CG-CD2 4.03Å; V165-L184 HydrophobicContact CG2-CB 4.16Å; F168-L184 HydrophobicContact CB-CD1 3.77Å; F168-L184 HydrophobicContact CG-CD1 4.45Å; F172-L184 HydrophobicContact CD2-CD1 4.08Å; F172-L184 HydrophobicContact CE2-CD1 3.76Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 3.13Å; A181-L184 PolarHBondContact O-N 2.88Å; V182-L184 VanDerWaalsContact C-N 3.31Å; V182-L184 PolarHBondContact O-N 3.17Å; L184-R186 PolarHBondContact O-N 3.41Å; L184-K187 WeakPolarHBondContact O-CB 3.06Å; L184-K187 PolarHBondContact O-N 2.87Å
185	L	96.2	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.2	-34.1	-175	-71.5	172.1	0	0	0	112.4	V165 A169 A181 V182 K187 F188 F194 L195	V165-L185 HydrophobicContact CG2-CD2 4.09Å; A169-L185 HydrophobicContact CB-CD1 3.64Å; A169-L185 HydrophobicContact CB-CD2 3.97Å; A169-L185 HydrophobicContact CB-CG 3.74Å; A181-L185 WeakPolarHBondContact O-CB 3.39Å; A181-L185 VanDerWaalsContact O-CG 3.3Å; A181-L185 WeakPolarHBondContact O-CG 3.42Å; A181-L185 PolarHBondContact O-N 3.38Å; V182-L185 PolarHBondContact O-N 3.18Å; L185-K187 PolarHBondContact O-N 3.12Å; L185-F188 PolarHBondContact O-N 2.87Å; L185-F194 HydrophobicContact CD1-CB 4.44Å; L185-F194 HydrophobicContact CD1-CD1 4Å; L185-F194 HydrophobicContact CD2-CB 4.42Å; L185-L195 HydrophobicContact CD1-CD1 3.9Å; L185-L195 HydrophobicContact CD1-CD2 3.75Å; L185-L195 HydrophobicContact CD1-CG 3.54Å
186	R	94.9	Very high	95.6	Very high	126 Å²	126	44.2 Å²	44.2	48%	0.475	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.6	174.9	-75.7	175.2	75.6	122.2	-3.2	113.9	V182 L184 F188	V182-R186 HydrophobicContact CG1-CG 4.15Å; V182-R186 WeakPolarHBondContact O-CB 3.43Å; V182-R186 WeakPolarHBondContact O-CG 3.3Å; V182-R186 PolarHBondContact O-N 3.08Å; L184-R186 PolarHBondContact O-N 3.41Å; R186-F188 PolarHBondContact O-N 2.64Å
187	K	93.5	Very high	95.6	Very high	50 Å²	50	45.2 Å²	45.2	22%	0.217	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-3.1	173.2	-51.3	-48.8	177	-166.7	0	112.7	S42 K77 K81 F83 I183 L184 L185	S42-K187 PolarHBondContact OG-NZ 3.02Å; K77-K187 PolarHBondContact NZ-O 3.16Å; K81-K187 HydrophobicContact CD-CB 3.91Å; K81-K187 HydrophobicContact CD-CD 4.27Å; K81-K187 HydrophobicContact CD-CG 3.96Å; F83-K187 HydrophobicContact CE2-CD 4.26Å; F83-K187 HydrophobicContact CE2-CG 3.98Å; I183-K187 WeakPolarHBondContact O-CE 3.23Å; L184-K187 WeakPolarHBondContact O-CB 3.06Å; L184-K187 PolarHBondContact O-N 2.87Å; L185-K187 PolarHBondContact O-N 3.12Å
188	F	94.6	Very high	95.7	Very high	10 Å²	10	45.3 Å²	45.3	4%	0.044	22%	0.218	C	C	.	.	S	Bend	trans	-127.7	129.5	-179.9	-58.2	-98.5	0	0	0	109	T74 K77 L78 V165 L185 R186 W190 G191	T74-F188 HydrophobicContact CG2-CD1 4.3Å; T74-F188 HydrophobicContact CG2-CE1 3.67Å; T74-F188 HydrophobicContact CG2-CZ 4.31Å; K77-F188 HydrophobicContact CB-CE1 4.31Å; K77-F188 HydrophobicContact CB-CZ 4.2Å; K77-F188 HydrophobicContact CD-CD1 4.07Å; K77-F188 HydrophobicContact CD-CE1 3.45Å; K77-F188 VanDerWaalsContact CD-CE1 3.45Å; K77-F188 HydrophobicContact CD-CZ 3.79Å; K77-F188 HydrophobicContact CG-CE1 4.38Å; K77-F188 HydrophobicContact CG-CZ 4.33Å; L78-F188 HydrophobicContact CD2-CE2 3.94Å; L78-F188 HydrophobicContact CD2-CZ 4.3Å; L78-F188 HydrophobicContact CG-CE2 4.43Å; L78-F188 HydrophobicContact CG-CZ 4.36Å; V165-F188 HydrophobicContact CB-CE2 3.93Å; V165-F188 HydrophobicContact CB-CZ 4.11Å; V165-F188 HydrophobicContact CG1-CD2 4.28Å; V165-F188 HydrophobicContact CG1-CE1 4.37Å; V165-F188 HydrophobicContact CG1-CE2 4.02Å; V165-F188 HydrophobicContact CG1-CZ 4.05Å; V165-F188 HydrophobicContact CG2-CD2 3.99Å; V165-F188 HydrophobicContact CG2-CE2 3.56Å; V165-F188 HydrophobicContact CG2-CZ 4.25Å; L185-F188 PolarHBondContact O-N 2.87Å; R186-F188 PolarHBondContact O-N 2.64Å; F188-W190 HydrophobicContact CB-CD2 4.29Å; F188-W190 HydrophobicContact CB-CZ2 4.22Å; F188-W190 AromaticContact CD1-CZ2 3.76Å; F188-W190 HydrophobicContact CD1-CZ2 3.76Å; F188-W190 HydrophobicContact CE1-CZ2 4.47Å; F188-W190 HydrophobicContact CG-CZ2 4.19Å; F188-W190 PolarHBondContact O-N 3.45Å; F188-G191 PolarHBondContact O-N 3.45Å
189	K	94.1	Very high	95.7	Very high	218 Å²	218	46.5 Å²	46.5	95%	0.948	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.6	-177.3	-65.9	-175	176.6	-174.8	0	112.8
190	W	94.7	Very high	95.6	Very high	55 Å²	55	48.5 Å²	48.5	21%	0.208	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.7	177	54.6	-100.3	0	0	0	113.2	T74 N152 P153 V165 E166 F188 T192 V193	T74-W190 HydrophobicContact CG2-CH2 4.23Å; T74-W190 HydrophobicContact CG2-CZ2 3.89Å; N152-W190 HydrophobicContact CB-CE3 4.44Å; N152-W190 HydrophobicContact CB-CH2 3.67Å; N152-W190 HydrophobicContact CB-CZ2 4.09Å; N152-W190 HydrophobicContact CB-CZ3 3.86Å; P153-W190 VanDerWaalsContact CD-CE2 3.42Å; P153-W190 VanDerWaalsContact CG-CD1 3.46Å; P153-W190 HydrophobicContact CG-CD2 4.34Å; P153-W190 HydrophobicContact CG-CG 3.95Å; V165-W190 HydrophobicContact CG1-CH2 3.8Å; V165-W190 HydrophobicContact CG1-CZ2 4.5Å; E166-W190 HydrophobicContact CG-CH2 4.29Å; E166-W190 HydrophobicContact CG-CZ3 3.95Å; F188-W190 HydrophobicContact CB-CD2 4.29Å; F188-W190 HydrophobicContact CB-CZ2 4.22Å; F188-W190 AromaticContact CD1-CZ2 3.76Å; F188-W190 HydrophobicContact CD1-CZ2 3.76Å; F188-W190 HydrophobicContact CE1-CZ2 4.47Å; F188-W190 HydrophobicContact CG-CZ2 4.19Å; F188-W190 PolarHBondContact O-N 3.45Å; W190-T192 PolarHBondContact O-N 3.41Å; W190-V193 VanDerWaalsContact O-CB 3.28Å; W190-V193 WeakPolarHBondContact O-CB 3.48Å; W190-V193 WeakPolarHBondContact O-CG2 3.33Å; W190-V193 PolarHBondContact O-N 3.02Å
191	G	94.3	Very high	95.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-37	-166.3	0	0	0	0	0	113.7	F188 V193 F194	F188-G191 PolarHBondContact O-N 3.45Å; G191-V193 VanDerWaalsContact C-N 3.25Å; G191-V193 PolarHBondContact O-N 2.97Å; G191-F194 VanDerWaalsContact O-CB 3.29Å; G191-F194 WeakPolarHBondContact O-CB 3.2Å; G191-F194 PolarHBondContact O-N 3.44Å
192	T	94.1	Very high	95.6	Very high	66 Å²	66	48.8 Å²	48.8	41%	0.405	24%	0.236	S	C	.	.	H	α-helix	trans	-64.8	-31.2	179.8	51.6	0	0	0	0	112.5	W190 F194 L195 D196	W190-T192 PolarHBondContact O-N 3.41Å; T192-F194 PolarHBondContact O-N 3.4Å; T192-F194 VanDerWaalsContact O-N 3.09Å; T192-L195 PolarHBondContact O-N 2.93Å; T192-D196 PolarHBondContact O-N 3.12Å
193	V	96.7	Very high	95.6	Very high	54 Å²	54	51 Å²	51	33%	0.327	25%	0.247	S	C	.	.	H	α-helix	trans	-56.7	-29.6	176.3	-174.9	0	0	0	0	111.4	A151 Y156 W190 G191 L195 D196 L197	A151-V193 HydrophobicContact CB-CB 4.24Å; A151-V193 HydrophobicContact CB-CG1 4.18Å; Y156-V193 HydrophobicContact CE2-CG1 4.19Å; W190-V193 VanDerWaalsContact O-CB 3.28Å; W190-V193 WeakPolarHBondContact O-CB 3.48Å; W190-V193 WeakPolarHBondContact O-CG2 3.33Å; W190-V193 PolarHBondContact O-N 3.02Å; G191-V193 VanDerWaalsContact C-N 3.25Å; G191-V193 PolarHBondContact O-N 2.97Å; V193-L195 VanDerWaalsContact C-N 3.35Å; V193-L195 PolarHBondContact O-N 3.21Å; V193-D196 PolarHBondContact O-N 2.82Å; V193-L197 WeakPolarHBondContact O-CB 3.38Å; V193-L197 PolarHBondContact O-N 3.12Å
194	F	97.8	Very high	95.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-42.2	175.6	177.9	-104.5	0	0	0	112.9	L148 A151 L162 E166 A169 A170 L185 G191 T192 N198 L202	L148-F194 HydrophobicContact CD1-CZ 4.27Å; A151-F194 VanDerWaalsContact CB-CA 3.46Å; A151-F194 HydrophobicContact CB-CB 3.83Å; A151-F194 HydrophobicContact CB-CD2 4.33Å; L162-F194 HydrophobicContact CD2-CE2 3.7Å; L162-F194 HydrophobicContact CD2-CZ 4.4Å; E166-F194 HydrophobicContact CB-CD2 4.04Å; E166-F194 HydrophobicContact CB-CE1 4.48Å; E166-F194 HydrophobicContact CB-CE2 3.94Å; E166-F194 HydrophobicContact CB-CG 4.37Å; E166-F194 HydrophobicContact CB-CZ 4.16Å; E166-F194 HydrophobicContact CG-CB 4.37Å; E166-F194 HydrophobicContact CG-CD1 4.49Å; E166-F194 HydrophobicContact CG-CD2 3.71Å; E166-F194 HydrophobicContact CG-CE2 4.15Å; E166-F194 HydrophobicContact CG-CG 3.91Å; A169-F194 HydrophobicContact CB-CD1 4.36Å; A169-F194 HydrophobicContact CB-CE1 4.27Å; A170-F194 HydrophobicContact CB-CE1 4.22Å; A170-F194 HydrophobicContact CB-CZ 3.99Å; L185-F194 HydrophobicContact CD1-CB 4.44Å; L185-F194 HydrophobicContact CD1-CD1 4Å; L185-F194 HydrophobicContact CD2-CB 4.42Å; G191-F194 VanDerWaalsContact O-CB 3.29Å; G191-F194 WeakPolarHBondContact O-CB 3.2Å; G191-F194 PolarHBondContact O-N 3.44Å; T192-F194 PolarHBondContact O-N 3.4Å; T192-F194 VanDerWaalsContact O-N 3.09Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.22Å; F194-N198 PolarHBondContact O-N 3.2Å; F194-N198 PolarHBondContact O-ND2 3.31Å; F194-L202 HydrophobicContact CE1-CD1 4.43Å
195	L	96.8	Very high	95.7	Very high	23 Å²	23	55.7 Å²	55.7	12%	0.12	27%	0.265	C	S	.	.	H	α-helix	trans	-70.2	-42.6	179.3	-62.6	177.7	0	0	0	110.4	C173 V182 L185 T192 V193 N198 K199 L202	C173-L195 VanDerWaalsContact SG-CD2 3.56Å; V182-L195 HydrophobicContact CG2-CD1 3.83Å; L185-L195 HydrophobicContact CD1-CD1 3.9Å; L185-L195 HydrophobicContact CD1-CD2 3.75Å; L185-L195 HydrophobicContact CD1-CG 3.54Å; T192-L195 PolarHBondContact O-N 2.93Å; V193-L195 VanDerWaalsContact C-N 3.35Å; V193-L195 PolarHBondContact O-N 3.21Å; L195-N198 CarbonylContact O-C 3.57Å; L195-N198 PolarHBondContact O-N 3.08Å; L195-K199 VanDerWaalsContact O-CA 3.23Å; L195-K199 WeakPolarHBondContact O-CA 3.28Å; L195-K199 WeakPolarHBondContact O-CB 3.47Å; L195-K199 PolarHBondContact O-N 2.94Å; L195-L202 HydrophobicContact CD2-CD1 4.06Å
196	D	96.3	Very high	95.7	Very high	113 Å²	113	57.7 Å²	57.7	60%	0.604	28%	0.281	S	S	*	.	H	α-helix	trans	-65	-46.3	179.9	-59.5	-34.1	0	0	0	111.1	T192 V193 N198 K199	T192-D196 PolarHBondContact O-N 3.12Å; V193-D196 PolarHBondContact O-N 2.82Å; D196-N198 VanDerWaalsContact C-N 3.28Å; D196-N198 PolarHBondContact O-N 2.83Å; D196-K199 PolarHBondContact O-N 2.71Å
197	L	95.9	Very high	95.8	Very high	63 Å²	63	55.4 Å²	55.4	33%	0.33	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-36	179.9	-178.8	63.7	0	0	0	112.8	V149 A151 V193	V149-L197 HydrophobicContact CB-CD2 3.94Å; V149-L197 HydrophobicContact CB-CG 4.28Å; V149-L197 HydrophobicContact CG1-CD2 3.78Å; V149-L197 HydrophobicContact CG1-CG 4.43Å; A151-L197 HydrophobicContact CB-CD2 4.13Å; V193-L197 WeakPolarHBondContact O-CB 3.38Å; V193-L197 PolarHBondContact O-N 3.12Å
198	N	97	Very high	95.8	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.011	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	12.1	-175.6	-62.5	-82.8	0	0	0	113.2	L148 V149 F194 L195 D196 T200 L201 L202	L148-N198 HydrophobicContact CD2-CB 3.89Å; V149-N198 PolarHBondContact N-OD1 2.87Å; V149-N198 PolarHBondContact O-ND2 3.38Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.22Å; F194-N198 PolarHBondContact O-N 3.2Å; F194-N198 PolarHBondContact O-ND2 3.31Å; L195-N198 CarbonylContact O-C 3.57Å; L195-N198 PolarHBondContact O-N 3.08Å; D196-N198 VanDerWaalsContact C-N 3.28Å; D196-N198 PolarHBondContact O-N 2.83Å; N198-T200 PolarHBondContact O-N 3.29Å; N198-L201 PolarHBondContact O-N 3.19Å; N198-L202 HydrophobicContact CB-CD1 3.9Å; N198-L202 HydrophobicContact CB-CG 3.95Å; N198-L202 WeakPolarHBondContact O-CG 3.33Å; N198-L202 PolarHBondContact O-N 2.75Å
199	K	96.3	Very high	95.6	Very high	123 Å²	123	60.6 Å²	60.6	54%	0.535	32%	0.316	S	S	.	.	H	α-helix	trans	-51.8	-53.5	-169.9	-175.7	178.1	177.5	-176.8	0	112.5	L195 D196 L201 L202 D203	L195-K199 VanDerWaalsContact O-CA 3.23Å; L195-K199 WeakPolarHBondContact O-CA 3.28Å; L195-K199 WeakPolarHBondContact O-CB 3.47Å; L195-K199 PolarHBondContact O-N 2.94Å; D196-K199 PolarHBondContact O-N 2.71Å; K199-L201 VanDerWaalsContact C-N 3.3Å; K199-L201 PolarHBondContact O-N 3.31Å; K199-L202 PolarHBondContact O-N 3.27Å; K199-D203 WeakPolarHBondContact O-CB 3.11Å; K199-D203 PolarHBondContact O-N 3.37Å
200	T	94.9	Very high	95.5	Very high	81 Å²	81	51.9 Å²	51.9	50%	0.497	28%	0.282	S	S	.	.	H	α-helix	trans	-58.1	-40.8	-179.6	-51.4	0	0	0	0	112.6	N198 R204	N198-T200 PolarHBondContact O-N 3.29Å; T200-R204 WeakPolarHBondContact O-CB 3.48Å; T200-R204 VanDerWaalsContact O-CG 3.23Å; T200-R204 WeakPolarHBondContact O-CG 3.45Å; T200-R204 PolarHBondContact O-N 2.78Å
201	L	95.6	Very high	95.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-71.3	-47.6	178.5	-82.1	175.4	0	0	0	111.6	Y147 L148 N198 K199 D203 R204 Y205 Y221	Y147-L201 HydrophobicContact CD1-CD1 3.89Å; Y147-L201 HydrophobicContact CE1-CD1 4.2Å; L148-L201 HydrophobicContact CD2-CB 4.21Å; L148-L201 HydrophobicContact CD2-CD1 4.42Å; N198-L201 PolarHBondContact O-N 3.19Å; K199-L201 VanDerWaalsContact C-N 3.3Å; K199-L201 PolarHBondContact O-N 3.31Å; L201-D203 VanDerWaalsContact C-N 3.34Å; L201-D203 PolarHBondContact O-N 3.06Å; L201-R204 PolarHBondContact O-N 2.74Å; L201-Y205 HydrophobicContact CB-CD2 4.38Å; L201-Y205 HydrophobicContact CB-CE2 4.01Å; L201-Y205 HydrophobicContact CD2-CE1 4.42Å; L201-Y205 HydrophobicContact CD2-CE2 4.21Å; L201-Y205 WeakPolarHBondContact O-CB 3.34Å; L201-Y205 VanDerWaalsContact O-CD2 3.26Å; L201-Y205 WeakPolarHBondContact O-CD2 3.45Å; L201-Y205 PolarHBondContact O-N 2.93Å; L201-Y221 HydrophobicContact CD1-CD1 3.91Å; L201-Y221 HydrophobicContact CD1-CD2 4.42Å; L201-Y221 HydrophobicContact CD1-CE1 3.72Å; L201-Y221 HydrophobicContact CD1-CE2 4.24Å; L201-Y221 HydrophobicContact CD1-CG 4.26Å; L201-Y221 HydrophobicContact CD2-CD1 3.91Å; L201-Y221 HydrophobicContact CD2-CD2 3.58Å; L201-Y221 HydrophobicContact CD2-CE1 4.43Å; L201-Y221 HydrophobicContact CD2-CE2 4.12Å; L201-Y221 HydrophobicContact CD2-CG 3.45Å; L201-Y221 VanDerWaalsContact CD2-CG 3.45Å; L201-Y221 HydrophobicContact CG-CD1 4.19Å; L201-Y221 HydrophobicContact CG-CD2 3.85Å; L201-Y221 HydrophobicContact CG-CE1 4.2Å; L201-Y221 HydrophobicContact CG-CE2 3.84Å; L201-Y221 HydrophobicContact CG-CG 4.01Å
202	L	97.1	Very high	95.3	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-42.2	-179.1	-69.3	173.9	0	0	0	111.6	L148 C173 I174 F194 L195 N198 K199 Y205 A206	L148-L202 HydrophobicContact CD1-CD2 4.12Å; L148-L202 HydrophobicContact CD2-CD2 3.84Å; L148-L202 HydrophobicContact CD2-CG 4.22Å; C173-L202 HydrophobicContact CB-CB 4.37Å; C173-L202 HydrophobicContact CB-CD1 4.23Å; C173-L202 HydrophobicContact CB-CD2 3.9Å; C173-L202 HydrophobicContact CB-CG 4.39Å; I174-L202 HydrophobicContact CG1-CD2 4.43Å; F194-L202 HydrophobicContact CE1-CD1 4.43Å; L195-L202 HydrophobicContact CD2-CD1 4.06Å; N198-L202 HydrophobicContact CB-CD1 3.9Å; N198-L202 HydrophobicContact CB-CG 3.95Å; N198-L202 WeakPolarHBondContact O-CG 3.33Å; N198-L202 PolarHBondContact O-N 2.75Å; K199-L202 PolarHBondContact O-N 3.27Å; L202-Y205 PolarHBondContact O-N 2.84Å; L202-A206 WeakPolarHBondContact O-CB 3.04Å; L202-A206 PolarHBondContact O-N 2.82Å
203	D	96.3	Very high	95.3	Very high	80 Å²	80	58.5 Å²	58.5	43%	0.428	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-43.7	177.4	-69.1	-14.8	0	0	0	111.1	K199 L201 A207	K199-D203 WeakPolarHBondContact O-CB 3.11Å; K199-D203 PolarHBondContact O-N 3.37Å; L201-D203 VanDerWaalsContact C-N 3.34Å; L201-D203 PolarHBondContact O-N 3.06Å; D203-A207 PolarHBondContact O-N 3.24Å
204	R	96.4	Very high	95.2	Very high	99 Å²	99	55.9 Å²	55.9	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-41.8	176.3	-70.4	178.3	-176.8	-149.7	3.4	112.1	T200 L201 A207 C208 V217 E220	T200-R204 WeakPolarHBondContact O-CB 3.48Å; T200-R204 VanDerWaalsContact O-CG 3.23Å; T200-R204 WeakPolarHBondContact O-CG 3.45Å; T200-R204 PolarHBondContact O-N 2.78Å; L201-R204 PolarHBondContact O-N 2.74Å; R204-A207 PolarHBondContact O-N 3.46Å; R204-C208 PolarHBondContact O-N 2.96Å; R204-C208 PolarHBondContact O-SG 3.32Å; R204-V217 HydrophobicContact CB-CG1 3.63Å; R204-V217 HydrophobicContact CG-CG1 4.44Å; R204-E220 IonicContact CZ-OE1 3.16Å; R204-E220 IonicContact NH1-OE1 3.33Å; R204-E220 PolarHBondContact NH1-OE1 3.12Å
205	Y	97.1	Very high	95	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-38.5	177.6	-66.8	-30	0	0	0	112.5	P108 P146 Y147 L148 I174 L201 L202 A207 C208 L214 V217 E218	P108-Y205 WeakPolarHBondContact CG-O 3.47Å; P146-Y205 HydrophobicContact CB-CD2 4.5Å; P146-Y205 HydrophobicContact CB-CE1 4.39Å; P146-Y205 HydrophobicContact CB-CE2 3.86Å; P146-Y205 HydrophobicContact CG-CD2 3.87Å; P146-Y205 HydrophobicContact CG-CE2 3.64Å; P146-Y205 HydrophobicContact CG-CG 4.48Å; Y147-Y205 PolarHBondContact O-OH 3.15Å; L148-Y205 HydrophobicContact CD2-CD2 4.42Å; L148-Y205 HydrophobicContact CD2-CE2 4.02Å; L148-Y205 HydrophobicContact CG-CE2 4.45Å; I174-Y205 HydrophobicContact CG1-CD2 4.43Å; L201-Y205 HydrophobicContact CB-CD2 4.38Å; L201-Y205 HydrophobicContact CB-CE2 4.01Å; L201-Y205 HydrophobicContact CD2-CE1 4.42Å; L201-Y205 HydrophobicContact CD2-CE2 4.21Å; L201-Y205 WeakPolarHBondContact O-CB 3.34Å; L201-Y205 VanDerWaalsContact O-CD2 3.26Å; L201-Y205 WeakPolarHBondContact O-CD2 3.45Å; L201-Y205 PolarHBondContact O-N 2.93Å; L202-Y205 PolarHBondContact O-N 2.84Å; Y205-A207 PolarHBondContact O-N 2.99Å; Y205-C208 WeakPolarHBondContact O-CB 3.46Å; Y205-C208 PolarHBondContact O-N 2.84Å; Y205-L214 HydrophobicContact CD1-CD1 4.27Å; Y205-L214 HydrophobicContact CD1-CD2 4.45Å; Y205-L214 HydrophobicContact CD1-CG 3.7Å; Y205-L214 HydrophobicContact CE1-CD2 4.37Å; Y205-L214 HydrophobicContact CE1-CG 4.06Å; Y205-L214 HydrophobicContact CG-CD1 4.38Å; Y205-L214 HydrophobicContact CG-CG 4.28Å; Y205-V217 HydrophobicContact CD1-CB 4.28Å; Y205-V217 HydrophobicContact CD1-CG1 3.85Å; Y205-V217 HydrophobicContact CE1-CB 4.1Å; Y205-V217 HydrophobicContact CE1-CG1 3.69Å; Y205-E218 HydrophobicContact CE1-CB 4.3Å; Y205-E218 WeakPolarHBondContact OH-CB 3.35Å
206	A	95.9	Very high	94.9	Very high	42 Å²	42	60.5 Å²	60.5	35%	0.347	33%	0.328	S	S	.	.	H	α-helix	trans	-66.8	-26.9	176	0	0	0	0	0	112.9	L202	L202-A206 WeakPolarHBondContact O-CB 3.04Å; L202-A206 PolarHBondContact O-N 2.82Å
207	A	95.8	Very high	94.9	Very high	79 Å²	79	56.2 Å²	56.2	65%	0.653	31%	0.306	S	S	*	.	H	α-helix	trans	-81.1	-12.7	176.8	0	0	0	0	0	114.2	D203 R204 Y205	D203-A207 PolarHBondContact O-N 3.24Å; R204-A207 PolarHBondContact O-N 3.46Å; Y205-A207 PolarHBondContact O-N 2.99Å
208	C	94.8	Very high	94.8	Very high	11 Å²	11	54.7 Å²	54.7	7%	0.074	30%	0.296	C	S	.	.			trans	-71	156.5	178.5	-64.3	0	0	0	0	111.5	P108 R204 Y205 E213 L214	P108-C208 WeakPolarHBondContact CB-O 3.42Å; P108-C208 WeakPolarHBondContact CG-O 3.17Å; R204-C208 PolarHBondContact O-N 2.96Å; R204-C208 PolarHBondContact O-SG 3.32Å; Y205-C208 WeakPolarHBondContact O-CB 3.46Å; Y205-C208 PolarHBondContact O-N 2.84Å; C208-E213 HydrophobicContact CB-CB 4.12Å; C208-L214 HydrophobicContact CB-CB 4.27Å
209	Q	90.4	Very high	94.7	Very high	157 Å²	157	61.5 Å²	61.5	73%	0.734	33%	0.326	S	S	*	.			trans	-109.3	-25.5	174.8	-67.1	176.4	51.5	0	0	112.4	E213	Q209-E213 PolarHBondContact N-OE2 3.46Å
210	S	91.3	Very high	94.6	Very high	35 Å²	35	60.4 Å²	60.4	25%	0.245	32%	0.323	C	S	.	.	S	Bend	trans	-131.3	166.5	-176.7	88.7	0	0	0	0	113.2	E212 E213 L214	S210-E212 VanDerWaalsContact C-N 3.29Å; S210-E212 WeakPolarHBondContact CB-OE2 3.41Å; S210-E212 PolarHBondContact OG-N 3.44Å; S210-E212 PolarHBondContact OG-OE2 2.95Å; S210-E213 PolarHBondContact OG-N 2.86Å; S210-L214 PolarHBondContact O-N 3.34Å
211	E	91.6	Very high	94.5	Very high	41 Å²	41	60.5 Å²	60.5	19%	0.192	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-36.4	175	174.7	169.5	-164.7	0	0	111.6	K104 Y105 L214 L215	K104-E211 WeakPolarHBondContact CA-OE1 3.47Å; Y105-E211 WeakPolarHBondContact CD2-OE1 3.48Å; Y105-E211 PolarHBondContact N-OE1 3.07Å; E211-L214 PolarHBondContact O-N 2.98Å; E211-L215 HydrophobicContact CG-CD1 4.26Å; E211-L215 WeakPolarHBondContact O-CG 3.39Å; E211-L215 PolarHBondContact O-N 3.33Å
212	E	93.4	Very high	94.3	Very high	131 Å²	131	64.9 Å²	64.9	61%	0.612	34%	0.338	S	S	*	.	H	α-helix	trans	-67.5	-41.5	-179.9	-57.2	78	-168.5	0	0	112.1	S210 L214 L215 A216	S210-E212 VanDerWaalsContact C-N 3.29Å; S210-E212 WeakPolarHBondContact CB-OE2 3.41Å; S210-E212 PolarHBondContact OG-N 3.44Å; S210-E212 PolarHBondContact OG-OE2 2.95Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L215 PolarHBondContact O-N 3.46Å; E212-A216 PolarHBondContact O-N 2.97Å
213	E	94.3	Very high	94	Very high	88 Å²	88	70 Å²	70	41%	0.411	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-42.7	175.2	-70.5	179.3	175.2	0	0	111.3	C208 Q209 S210 L215 A216 V217	C208-E213 HydrophobicContact CB-CB 4.12Å; Q209-E213 PolarHBondContact N-OE2 3.46Å; S210-E213 PolarHBondContact OG-N 2.86Å; E213-L215 VanDerWaalsContact C-N 3.35Å; E213-L215 PolarHBondContact O-N 3.14Å; E213-A216 WeakPolarHBondContact O-CB 3.39Å; E213-A216 PolarHBondContact O-N 3.41Å; E213-A216 VanDerWaalsContact O-N 3.12Å; E213-V217 WeakPolarHBondContact O-CG2 3.45Å; E213-V217 PolarHBondContact O-N 3.29Å
214	L	94.3	Very high	93.5	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63	-41.1	178.7	-179.6	152.7	0	0	0	111.9	V106 P146 I174 Y205 C208 S210 E211 E212 A216 V217 E218	V106-L214 WeakPolarHBondContact O-CD1 3.43Å; P146-L214 HydrophobicContact CB-CD2 3.63Å; P146-L214 HydrophobicContact CG-CD2 4.03Å; I174-L214 HydrophobicContact CG2-CD1 4.18Å; Y205-L214 HydrophobicContact CD1-CD1 4.27Å; Y205-L214 HydrophobicContact CD1-CD2 4.45Å; Y205-L214 HydrophobicContact CD1-CG 3.7Å; Y205-L214 HydrophobicContact CE1-CD2 4.37Å; Y205-L214 HydrophobicContact CE1-CG 4.06Å; Y205-L214 HydrophobicContact CG-CD1 4.38Å; Y205-L214 HydrophobicContact CG-CG 4.28Å; C208-L214 HydrophobicContact CB-CB 4.27Å; S210-L214 PolarHBondContact O-N 3.34Å; E211-L214 PolarHBondContact O-N 2.98Å; E212-L214 VanDerWaalsContact C-N 3.34Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-V217 PolarHBondContact O-N 3.07Å; L214-E218 PolarHBondContact O-N 3.29Å
215	L	93.9	Very high	92.3	Very high	62 Å²	62	70 Å²	70	33%	0.325	38%	0.381	S	S	.	.	H	α-helix	trans	-67.8	-32.8	173	-72	172.7	0	0	0	112.9	Y105 E211 E212 E213 E218 K219	Y105-L215 HydrophobicContact CD2-CD1 4.28Å; Y105-L215 HydrophobicContact CD2-CD2 3.84Å; Y105-L215 HydrophobicContact CD2-CG 4.31Å; Y105-L215 HydrophobicContact CE1-CD2 4.42Å; Y105-L215 HydrophobicContact CE2-CD1 4.43Å; Y105-L215 HydrophobicContact CE2-CD2 3.7Å; Y105-L215 HydrophobicContact CG-CD2 4.27Å; E211-L215 HydrophobicContact CG-CD1 4.26Å; E211-L215 WeakPolarHBondContact O-CG 3.39Å; E211-L215 PolarHBondContact O-N 3.33Å; E212-L215 PolarHBondContact O-N 3.46Å; E213-L215 VanDerWaalsContact C-N 3.35Å; E213-L215 PolarHBondContact O-N 3.14Å; L215-E218 PolarHBondContact O-N 3.24Å; L215-K219 WeakPolarHBondContact O-CB 3.41Å; L215-K219 PolarHBondContact O-N 3.38Å
216	A	95.1	Very high	90.9	Very high	58 Å²	58	75.6 Å²	75.6	48%	0.479	42%	0.417	S	S	.	.	H	α-helix	trans	-65.5	-44.4	174.1	0	0	0	0	0	111.2	E212 E213 L214 K219 E220	E212-A216 PolarHBondContact O-N 2.97Å; E213-A216 WeakPolarHBondContact O-CB 3.39Å; E213-A216 PolarHBondContact O-N 3.41Å; E213-A216 VanDerWaalsContact O-N 3.12Å; L214-A216 VanDerWaalsContact C-N 3.34Å; A216-K219 PolarHBondContact O-N 2.96Å; A216-E220 WeakPolarHBondContact O-CB 3.44Å; A216-E220 PolarHBondContact O-N 3.42Å
217	V	95.3	Very high	89.3	Confident	23 Å²	23	82.4 Å²	82.4	14%	0.139	44%	0.442	C	S	.	.	H	α-helix	trans	-59.8	-45.3	173.8	169.2	0	0	0	0	111.2	R204 Y205 E213 L214 K219 E220 Y221	R204-V217 HydrophobicContact CB-CG1 3.63Å; R204-V217 HydrophobicContact CG-CG1 4.44Å; Y205-V217 HydrophobicContact CD1-CB 4.28Å; Y205-V217 HydrophobicContact CD1-CG1 3.85Å; Y205-V217 HydrophobicContact CE1-CB 4.1Å; Y205-V217 HydrophobicContact CE1-CG1 3.69Å; E213-V217 WeakPolarHBondContact O-CG2 3.45Å; E213-V217 PolarHBondContact O-N 3.29Å; L214-V217 PolarHBondContact O-N 3.07Å; V217-K219 VanDerWaalsContact C-N 3.34Å; V217-K219 PolarHBondContact O-N 2.92Å; V217-E220 PolarHBondContact O-N 3.25Å; V217-Y221 WeakPolarHBondContact O-CB 3.5Å; V217-Y221 PolarHBondContact O-N 2.87Å
218	E	93.9	Very high	87.5	Confident	30 Å²	30	88 Å²	88	14%	0.14	45%	0.452	C	S	.	.	H	α-helix	trans	-58.2	-47.7	176.6	177.3	170.7	140.4	0	0	111.5	P146 Y147 Y205 L214 L215 E220 Y221 L222	P146-E218 WeakPolarHBondContact CA-OE2 3.36Å; P146-E218 VanDerWaalsContact CB-OE2 3.29Å; P146-E218 WeakPolarHBondContact CB-OE2 3.43Å; Y147-E218 VanDerWaalsContact CB-CD 3.44Å; Y147-E218 PolarHBondContact N-OE2 2.89Å; Y205-E218 HydrophobicContact CE1-CB 4.3Å; Y205-E218 WeakPolarHBondContact OH-CB 3.35Å; L214-E218 PolarHBondContact O-N 3.29Å; L215-E218 PolarHBondContact O-N 3.24Å; E218-E220 PolarHBondContact O-N 2.75Å; E218-Y221 PolarHBondContact O-N 3.33Å; E218-L222 HydrophobicContact CG-CD1 4.15Å; E218-L222 WeakPolarHBondContact O-CG 3.23Å; E218-L222 PolarHBondContact O-N 3.18Å
219	K	94.6	Very high	85.8	Confident	145 Å²	145	95.9 Å²	95.9	63%	0.63	49%	0.487	S	S	*	.	H	α-helix	trans	-64.9	-40.7	179.4	-174	176.6	-179.3	-176.5	0	112	L215 A216 V217 N223	L215-K219 WeakPolarHBondContact O-CB 3.41Å; L215-K219 PolarHBondContact O-N 3.38Å; A216-K219 PolarHBondContact O-N 2.96Å; V217-K219 VanDerWaalsContact C-N 3.34Å; V217-K219 PolarHBondContact O-N 2.92Å; K219-N223 WeakPolarHBondContact CG-ND2 3.46Å; K219-N223 PolarHBondContact O-N 2.74Å; K219-N223 PolarHBondContact O-ND2 3.05Å
220	E	95.1	Very high	84.1	Confident	100 Å²	100	97.7 Å²	97.7	47%	0.467	50%	0.495	S	S	.	.	H	α-helix	trans	-60	-47.5	175.6	-174.9	-167.5	134.8	0	0	110.7	R204 A216 V217 E218 L222 N223 T224	R204-E220 IonicContact CZ-OE1 3.16Å; R204-E220 IonicContact NH1-OE1 3.33Å; R204-E220 PolarHBondContact NH1-OE1 3.12Å; A216-E220 WeakPolarHBondContact O-CB 3.44Å; A216-E220 PolarHBondContact O-N 3.42Å; V217-E220 PolarHBondContact O-N 3.25Å; E218-E220 PolarHBondContact O-N 2.75Å; E220-L222 PolarHBondContact O-N 2.88Å; E220-N223 PolarHBondContact O-N 3.24Å; E220-T224 PolarHBondContact O-N 3.35Å; E220-T224 PolarHBondContact O-OG1 3.23Å
221	Y	92.3	Very high	82.6	Confident	84 Å²	84	103.6 Å²	103.6	33%	0.329	52%	0.517	S	S	.	.	H	α-helix	trans	-60.2	-44.9	-179.9	-174.2	-93.9	0	0	0	112.1	Y147 L201 V217 E218 N223 T224	Y147-Y221 HydrophobicContact CD1-CD1 4.36Å; Y147-Y221 HydrophobicContact CD1-CE1 4.5Å; Y147-Y221 HydrophobicContact CE1-CD1 4.15Å; Y147-Y221 AromaticContact CE1-CE1 3.93Å; Y147-Y221 HydrophobicContact CE1-CE1 3.93Å; L201-Y221 HydrophobicContact CD1-CD1 3.91Å; L201-Y221 HydrophobicContact CD1-CD2 4.42Å; L201-Y221 HydrophobicContact CD1-CE1 3.72Å; L201-Y221 HydrophobicContact CD1-CE2 4.24Å; L201-Y221 HydrophobicContact CD1-CG 4.26Å; L201-Y221 HydrophobicContact CD2-CD1 3.91Å; L201-Y221 HydrophobicContact CD2-CD2 3.58Å; L201-Y221 HydrophobicContact CD2-CE1 4.43Å; L201-Y221 HydrophobicContact CD2-CE2 4.12Å; L201-Y221 HydrophobicContact CD2-CG 3.45Å; L201-Y221 VanDerWaalsContact CD2-CG 3.45Å; L201-Y221 HydrophobicContact CG-CD1 4.19Å; L201-Y221 HydrophobicContact CG-CD2 3.85Å; L201-Y221 HydrophobicContact CG-CE1 4.2Å; L201-Y221 HydrophobicContact CG-CE2 3.84Å; L201-Y221 HydrophobicContact CG-CG 4.01Å; V217-Y221 WeakPolarHBondContact O-CB 3.5Å; V217-Y221 PolarHBondContact O-N 2.87Å; E218-Y221 PolarHBondContact O-N 3.33Å; Y221-N223 VanDerWaalsContact C-N 3.27Å; Y221-N223 PolarHBondContact O-N 3.49Å; Y221-T224 PolarHBondContact O-N 3Å
222	L	90.7	Very high	81.3	Confident	92 Å²	92	105.9 Å²	105.9	48%	0.482	53%	0.531	S	S	.	.	H	α-helix	trans	-67.6	-25.2	179.2	-68.1	174.9	0	0	0	113.8	Y147 E218 E220	Y147-L222 HydrophobicContact CD1-CD2 4.23Å; Y147-L222 HydrophobicContact CD2-CD2 3.88Å; Y147-L222 HydrophobicContact CE1-CD2 4.06Å; Y147-L222 HydrophobicContact CE2-CD2 3.64Å; Y147-L222 HydrophobicContact CG-CD2 4.15Å; E218-L222 HydrophobicContact CG-CD1 4.15Å; E218-L222 WeakPolarHBondContact O-CG 3.23Å; E218-L222 PolarHBondContact O-N 3.18Å; E220-L222 PolarHBondContact O-N 2.88Å
223	N	91.3	Very high	79.9	Confident	114 Å²	114	104.2 Å²	104.2	61%	0.61	53%	0.531	S	S	*	.	H	α-helix	trans	-91.1	-12.5	177.2	-70.3	-53.3	0	0	0	113.1	K219 E220 Y221 P225	K219-N223 WeakPolarHBondContact CG-ND2 3.46Å; K219-N223 PolarHBondContact O-N 2.74Å; K219-N223 PolarHBondContact O-ND2 3.05Å; E220-N223 PolarHBondContact O-N 3.24Å; Y221-N223 VanDerWaalsContact C-N 3.27Å; Y221-N223 PolarHBondContact O-N 3.49Å; N223-P225 WeakPolarHBondContact O-CD 3.39Å
224	T	87.1	Confident	78.4	Confident	78 Å²	78	108.2 Å²	108.2	48%	0.479	55%	0.547	S	S	.	.	S	Bend	trans	-81.1	117.2	178.1	-57.3	0	0	0	0	108.5	E220 Y221	E220-T224 PolarHBondContact O-N 3.35Å; E220-T224 PolarHBondContact O-OG1 3.23Å; Y221-T224 PolarHBondContact O-N 3Å
225	P	71.4	Confident	77.2	Confident	100 Å²	100	112.2 Å²	112.2	65%	0.649	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-64.1	143.2	172.8	26.2	-30.9	0	0	0	109.2	N223 E227	N223-P225 WeakPolarHBondContact O-CD 3.39Å; P225-E227 PolarHBondContact O-N 3.17Å
226	P	67.6	Low	75.8	Confident	117 Å²	117	115.3 Å²	115.3	76%	0.76	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-56.1	130.3	176	23.6	-32.1	0	0	0	108.7	K228	P226-K228 PolarHBondContact O-N 3.31Å
227	E	61.5	Low	74.2	Confident	186 Å²	186	119.9 Å²	119.9	87%	0.869	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-54.2	119.9	168.5	-73.3	-174.9	171.8	0	0	106.6	P225 E229	P225-E227 PolarHBondContact O-N 3.17Å; E227-E229 PolarHBondContact O-N 3.47Å
228	K	57	Low	72.8	Confident	197 Å²	197	121.6 Å²	121.6	86%	0.857	62%	0.62	S	S	*	*			trans	-65.5	108.8	172.2	-66	178.8	-178.3	177.8	0	104.6	P226 E230	P226-K228 PolarHBondContact O-N 3.31Å; K228-E230 PolarHBondContact O-N 3.04Å
229	E	60.1	Low	71.2	Confident	176 Å²	176	123.9 Å²	123.9	82%	0.822	65%	0.651	S	S	*	*			trans	-47.6	121.1	158.1	-70.2	-178.3	170	0	0	105.5	E227 F231	E227-E229 PolarHBondContact O-N 3.47Å; E229-F231 VanDerWaalsContact C-N 3.27Å; E229-F231 PolarHBondContact O-N 3Å
230	E	54.1	Low	69.7	Low	194 Å²	194	126.1 Å²	126.1	91%	0.907	66%	0.655	S	S	*	*			trans	-58.4	101.4	175.1	-79.8	-175	156.6	0	0	106.2	K228 D232	K228-E230 PolarHBondContact O-N 3.04Å; E230-D232 VanDerWaalsContact C-N 3.35Å; E230-D232 PolarHBondContact O-N 2.96Å
231	F	60.7	Low	67.9	Low	160 Å²	160	129.9 Å²	129.9	70%	0.702	67%	0.673	S	S	*	*			trans	-62.7	102.6	172.6	174	-98	0	0	0	106.1	E229 P233	E229-F231 VanDerWaalsContact C-N 3.27Å; E229-F231 PolarHBondContact O-N 3Å; F231-P233 HydrophobicContact CD1-CB 4.41Å; F231-P233 HydrophobicContact CD1-CG 4.12Å; F231-P233 HydrophobicContact CE1-CB 4.02Å; F231-P233 HydrophobicContact CE1-CG 4.23Å; F231-P233 WeakPolarHBondContact O-CD 3.45Å
232	D	64.2	Low	66.3	Low	89 Å²	89	131.5 Å²	131.5	48%	0.476	70%	0.695	S	S	.	*			trans	-71.9	108.5	169.9	-177.4	0	0	0	0	107.5	E230 F234 D235	E230-D232 VanDerWaalsContact C-N 3.35Å; E230-D232 PolarHBondContact O-N 2.96Å; D232-F234 PolarHBondContact O-N 2.92Å; D232-F234 WeakPolarHBondContact OD1-CB 3.09Å; D232-F234 PolarHBondContact OD1-N 2.77Å; D232-D235 HydrophobicContact CB-CB 4.05Å; D232-D235 PolarHBondContact O-N 3.05Å; D232-D235 VanDerWaalsContact O-N 3.12Å
233	P	63.5	Low	64.8	Low	95 Å²	95	134.7 Å²	134.7	62%	0.617	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-7.9	179.9	-16.2	33.1	0	0	0	112.9	F231	F231-P233 HydrophobicContact CD1-CB 4.41Å; F231-P233 HydrophobicContact CD1-CG 4.12Å; F231-P233 HydrophobicContact CE1-CB 4.02Å; F231-P233 HydrophobicContact CE1-CG 4.23Å; F231-P233 WeakPolarHBondContact O-CD 3.45Å
234	F	62.9	Low	63.5	Low	172 Å²	172	134.5 Å²	134.5	75%	0.754	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	4.5	178.7	-59.7	-81.6	0	0	0	113.9	D232 V236	D232-F234 PolarHBondContact O-N 2.92Å; D232-F234 WeakPolarHBondContact OD1-CB 3.09Å; D232-F234 PolarHBondContact OD1-N 2.77Å; F234-V236 PolarHBondContact O-N 2.99Å
235	D	69.8	Low	62.3	Low	85 Å²	85	138.9 Å²	138.9	46%	0.455	73%	0.728	S	S	.	*			trans	-77.5	82.9	176.2	-174.8	14.4	0	0	0	112	D232 D237 S238	D232-D235 HydrophobicContact CB-CB 4.05Å; D232-D235 PolarHBondContact O-N 3.05Å; D232-D235 VanDerWaalsContact O-N 3.12Å; D235-D237 VanDerWaalsContact C-N 3.26Å; D235-D237 PolarHBondContact O-N 3.06Å; D235-D237 PolarHBondContact OD1-N 2.96Å; D235-S238 PolarHBondContact O-OG 2.91Å
236	V	63.2	Low	62.2	Low	127 Å²	127	141.7 Å²	141.7	77%	0.77	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-15.4	178.5	177.4	0	0	0	0	112.6	F234	F234-V236 PolarHBondContact O-N 2.99Å
237	D	61.6	Low	61.9	Low	154 Å²	154	144.5 Å²	144.5	82%	0.824	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-4	-177.8	-77	-17.7	0	0	0	113.2	D235 G239	D235-D237 VanDerWaalsContact C-N 3.26Å; D235-D237 PolarHBondContact O-N 3.06Å; D235-D237 PolarHBondContact OD1-N 2.96Å; D237-G239 PolarHBondContact O-N 3.12Å
238	S	65.4	Low	61.6	Low	59 Å²	59	140.6 Å²	140.6	41%	0.413	72%	0.724	S	S	.	*	S	Bend	trans	-64.9	-5.7	-179.9	62.2	0	0	0	0	115	D235 R240	D235-S238 PolarHBondContact O-OG 2.91Å; S238-R240 PolarHBondContact O-N 3.01Å
239	G	62	Low	61.5	Low	78 Å²	78	136.8 Å²	136.8	80%	0.804	72%	0.719	S	S	*	*			trans	63.7	11.1	176.5	0	0	0	0	0	114.5	D237	D237-G239 PolarHBondContact O-N 3.12Å
240	R	61.5	Low	61	Low	191 Å²	191	139.1 Å²	139.1	72%	0.721	72%	0.721	S	S	*	*			trans	-87.1	134.1	173.2	-65	-172.1	-169.3	-173.5	7.5	109.3	S238 C242	S238-R240 PolarHBondContact O-N 3.01Å; R240-C242 PolarHBondContact O-N 3.21Å
241	E	57.7	Low	60.4	Low	180 Å²	180	135.5 Å²	135.5	84%	0.841	71%	0.711	S	S	*	*			trans	-62.8	100.9	174.1	-97.5	178.6	167	0	0	110.3	M243	E241-M243 PolarHBondContact O-N 2.93Å
242	C	59.9	Low	59.8	Low	117 Å²	117	132.1 Å²	132.1	79%	0.791	71%	0.713	S	S	*	*			trans	-73.1	104.5	166.6	52.6	0	0	0	0	108.5	R240 N244	R240-C242 PolarHBondContact O-N 3.21Å; C242-N244 PolarHBondContact O-N 3.38Å
243	M	58.6	Low	58.6	Low	159 Å²	159	136.1 Å²	136.1	78%	0.783	73%	0.729	S	S	*	*			trans	-73.2	121.4	170.2	-70.7	-154.9	165.2	0	0	109.6	E241 L245	E241-M243 PolarHBondContact O-N 2.93Å; M243-L245 PolarHBondContact O-N 3.23Å
244	N	64.4	Low	57.4	Low	110 Å²	110	140.6 Å²	140.6	59%	0.588	74%	0.742	S	S	*	*			trans	-71.5	109.8	172.6	-175.4	-20.1	0	0	0	109	C242 N246 R247	C242-N244 PolarHBondContact O-N 3.38Å; N244-N246 PolarHBondContact O-N 2.99Å; N244-N246 VanDerWaalsContact O-N 3.16Å; N244-N246 WeakPolarHBondContact OD1-CB 3.35Å; N244-N246 PolarHBondContact OD1-N 3.16Å; N244-R247 HydrophobicContact CB-CB 4.08Å; N244-R247 WeakPolarHBondContact O-CB 3.45Å; N244-R247 PolarHBondContact O-N 2.91Å
245	L	61.6	Low	56.2	Low	171 Å²	171	141.2 Å²	141.2	90%	0.895	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-19.9	-179.4	-78.5	92.9	0	0	0	113.8	M243 R247	M243-L245 PolarHBondContact O-N 3.23Å; L245-R247 VanDerWaalsContact C-N 3.32Å
246	N	69.7	Low	54.3	Low	158 Å²	158	144 Å²	144	85%	0.845	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-2.9	174	-105.7	24.7	0	0	0	113.1	N244	N244-N246 PolarHBondContact O-N 2.99Å; N244-N246 VanDerWaalsContact O-N 3.16Å; N244-N246 WeakPolarHBondContact OD1-CB 3.35Å; N244-N246 PolarHBondContact OD1-N 3.16Å
247	R	60.9	Low	53.1	Low	176 Å²	176	145.1 Å²	145.1	66%	0.664	76%	0.763	S	S	*	*	S	Bend	trans	-92.4	116.1	169.2	-165.9	177.7	-143.3	-162.8	5.6	107.4	N244 L245	N244-R247 HydrophobicContact CB-CB 4.08Å; N244-R247 WeakPolarHBondContact O-CB 3.45Å; N244-R247 PolarHBondContact O-N 2.91Å; L245-R247 VanDerWaalsContact C-N 3.32Å
248	P	55.3	Low	51.8	Low	104 Å²	104	143.1 Å²	143.1	68%	0.675	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-54.7	140.4	173.2	-20.5	30.7	0	0	0	109.1	R250	P248-R250 PolarHBondContact O-N 3.22Å
249	P	53.7	Low	50.2	Low	117 Å²	117	148.5 Å²	148.5	76%	0.76	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-54.5	128.1	172.5	-14.5	26.1	0	0	0	107.4	V251	P249-V251 VanDerWaalsContact C-N 3.32Å; P249-V251 PolarHBondContact O-N 3.11Å
250	R	50.3	Low	48.8	Very low	225 Å²	225	149.3 Å²	149.3	85%	0.849	77%	0.769	S	S	*	*			trans	-63.5	107.7	161.1	-93.5	-176.3	172	150.9	-4.5	104.9	P248 A252	P248-R250 PolarHBondContact O-N 3.22Å; R250-A252 PolarHBondContact O-N 3.1Å; R250-A252 VanDerWaalsContact O-N 3.11Å
251	V	41.8	Very low	47.4	Very low	118 Å²	118	147.6 Å²	147.6	72%	0.715	77%	0.774	S	S	*	*			trans	-53.7	119.4	165.7	-164	0	0	0	0	104.5	P249 E253	P249-V251 VanDerWaalsContact C-N 3.32Å; P249-V251 PolarHBondContact O-N 3.11Å; V251-E253 VanDerWaalsContact C-N 3.28Å; V251-E253 PolarHBondContact O-N 2.99Å
252	A	48.5	Very low	46.1	Very low	89 Å²	89	142.7 Å²	142.7	74%	0.736	77%	0.772	S	S	*	*			trans	-63.7	103.9	163.4	0	0	0	0	0	104.3	R250 E254	R250-A252 PolarHBondContact O-N 3.1Å; R250-A252 VanDerWaalsContact O-N 3.11Å; A252-E254 PolarHBondContact O-N 3.17Å; A252-E254 VanDerWaalsContact O-N 3.1Å
253	E	37.5	Very low	44.9	Very low	173 Å²	173	144.7 Å²	144.7	81%	0.808	77%	0.77	S	S	*	*			trans	-63.9	112.4	172.6	-69.9	177.6	173.8	0	0	106	V251 E255	V251-E253 VanDerWaalsContact C-N 3.28Å; V251-E253 PolarHBondContact O-N 2.99Å; E253-E255 PolarHBondContact O-N 2.95Å
254	E	38.3	Very low	43.8	Very low	190 Å²	190	144.7 Å²	144.7	89%	0.888	77%	0.768	S	S	*	*			trans	-60.2	111.4	158.8	-64.5	-175.5	162.9	0	0	105.7	A252 D256	A252-E254 PolarHBondContact O-N 3.17Å; A252-E254 VanDerWaalsContact O-N 3.1Å; E254-D256 PolarHBondContact O-N 3.02Å
255	E	37.5	Very low	42.3	Very low	184 Å²	184	143.7 Å²	143.7	86%	0.86	78%	0.775	S	S	*	*			trans	-67.7	97.7	171.9	-68.2	178	175.4	0	0	108.2	E253	E253-E255 PolarHBondContact O-N 2.95Å
256	D	30.7	Very low	40.7	Very low	145 Å²	145	139.3 Å²	139.3	78%	0.775	77%	0.771	S	S	*	*			trans	-122.5	86	160.3	-160.3	15.7	0	0	0	107.6	E254 T258	E254-D256 PolarHBondContact O-N 3.02Å; D256-T258 PolarHBondContact O-N 3.4Å
257	D	38	Very low	38.9	Very low	149 Å²	149	137 Å²	137	80%	0.797	77%	0.768	S	S	*	*			trans	-76.2	107.4	179.4	-87	-39.1	0	0	0	110.6
258	T	33.7	Very low	37.4	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.693	77%	0.774	S	S	*	*			trans	-140.1	144.9	157	41.2	0	0	0	0	112.5	D256	D256-T258 PolarHBondContact O-N 3.4Å
259	E	32.5	Very low	36.1	Very low	171 Å²	171	132.1 Å²	132.1	80%	0.799	77%	0.773	S	S	*	*			trans	90.5	105.9	172.4	-47.7	-58.4	156.3	0	0	116
260	S	31.6	Very low	34.9	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	78%	0.778	S	S	*	*				91.3	107.6	59.6	-169.8	0	0	0	0	113.8
261	D	33.7	Very low	33.9	Very low	155 Å²	155	126.8 Å²	126.8	83%	0.829	77%	0.767	S	S	*	*			trans	58.1	132.1	150.7	-90	-15.2	0	0	0	125.2
262	G	30.4	Very low	33.5	Very low	77 Å²	77	128.9 Å²	128.9	79%	0.794	77%	0.769	S	S	*	*			trans	169.7	78.6	164.3	0	0	0	0	0	114
263	E	34.2	Very low	32.6	Very low	159 Å²	159	132.3 Å²	132.3	74%	0.743	77%	0.774	S	S	*	*			trans	-51.6	160.5	173.1	-47.2	176	148.8	0	0	113.6
264	E	35.1	Very low	32.3	Very low	158 Å²	158	130.9 Å²	130.9	74%	0.738	77%	0.773	S	S	*	*			cis	-170.6	154.7	48.3	-106.2	-58.5	-175.7	0	0	113
265	A	32.8	Very low	32.1	Very low	90 Å²	90	129 Å²	129	74%	0.744	77%	0.768	S	S	*	*			trans	53.7	128.1	144.9	0	0	0	0	0	124.8
266	G	28.5	Very low	31.7	Very low	78 Å²	78	123.5 Å²	123.5	80%	0.804	76%	0.762	S	S	*	*			trans	-179.2	22.6	162.6	0	0	0	0	0	123.4
267	S	31.3	Very low	31.7	Very low	111 Å²	111	124 Å²	124	78%	0.776	76%	0.764	S	S	*	*			trans	56.1	116.6	150.6	-156.6	0	0	0	0	124.2
268	S	29.8	Very low	31.6	Very low	115 Å²	115	122.2 Å²	122.2	80%	0.804	76%	0.758	S	S	*	*				74.4	129.8	124.2	71.5	0	0	0	0	125.1
269	G	28.5	Very low	31.6	Very low	62 Å²	62	126.2 Å²	126.2	64%	0.639	77%	0.766	S	S	*	*			trans	148.7	94.7	147.1	0	0	0	0	0	111.8
270	T	28.5	Very low	31.6	Very low	141 Å²	141	125.7 Å²	125.7	87%	0.865	76%	0.764	S	S	*	*				45.9	131.8	96.3	63.9	0	0	0	0	113.3
271	S	29.8	Very low	31.7	Very low	89 Å²	89	130.6 Å²	130.6	62%	0.622	78%	0.776	S	S	*	*			cis	-172.8	172.6	20.1	45	0	0	0	0	110.2
272	E	32.4	Very low	31.6	Very low	161 Å²	161	131.4 Å²	131.4	75%	0.752	78%	0.775	S	S	*	*			trans	82.4	107	152.1	-70.7	150.5	-126	0	0	118.3
273	D	29.4	Very low	31.7	Very low	161 Å²	161	134.4 Å²	134.4	86%	0.861	77%	0.773	S	S	*	*				67.1	114.1	79.2	-80.3	-35.8	0	0	0	113.3
274	D	32.4	Very low	31.5	Very low	144 Å²	144	134 Å²	134	77%	0.77	78%	0.776	S	S	*	*				-178.9	122.3	121.9	-160.2	29.8	0	0	0	112.7
275	N	32.8	Very low	31.4	Very low	149 Å²	149	129.1 Å²	129.1	80%	0.797	77%	0.768	S	S	*	*			trans	28.3	134.8	150.7	-69.7	-43.2	0	0	0	121.3
276	G	29.2	Very low	31.3	Very low	70 Å²	70	128.3 Å²	128.3	72%	0.722	77%	0.768	S	S	*	*			cis	105.6	110.1	30.3	0	0	0	0	0	110.1
277	D	31.7	Very low	31.7	Very low	155 Å²	155	134.6 Å²	134.6	83%	0.829	77%	0.773	S	S	*	*			trans	-165.6	134.6	131.4	-143	-26.9	0	0	0	111.6
278	V	35.6	Very low	31.9	Very low	111 Å²	111	135.9 Å²	135.9	67%	0.673	77%	0.772	S	S	*	*			trans	-115.9	135.7	-179	165.4	0	0	0	0	105.9
279	K	32.7	Very low	32.2	Very low	198 Å²	198	142.5 Å²	142.5	86%	0.861	78%	0.779	S	S	*	*			trans	-142	98.6	147.5	-74.8	-160.8	177	-176.8	0	111
280	E	34	Very low	32.6	Very low	159 Å²	159	147.8 Å²	147.8	74%	0.743	79%	0.787	S	S	*	*			trans	-70.4	147.3	142.2	-65.6	177.7	154	0	0	108.5
281	E	31.9	Very low	32.9	Very low	199 Å²	199	147.8 Å²	147.8	93%	0.93	79%	0.787	S	S	*	*			trans	-143	133.3	130.5	-77.3	-150.2	170.6	0	0	109.2
282	E	32.7	Very low	33.1	Very low	173 Å²	173	146.8 Å²	146.8	81%	0.808	79%	0.791	S	S	*	*			trans	-61	-178.8	163.8	-49.4	-178.9	140.5	0	0	109.5
283	D	32	Very low	33.3	Very low	139 Å²	139	145.7 Å²	145.7	74%	0.743	79%	0.79	S	S	*	*			cis	-176.3	153.1	26.9	176	27.4	0	0	0	104.8
284	D	31	Very low	33.7	Very low	152 Å²	152	145.3 Å²	145.3	81%	0.813	78%	0.783	S	S	*	*				-175	121.1	128	-165.2	20	0	0	0	109.9
285	G	31.5	Very low	34	Very low	55 Å²	55	146 Å²	146	57%	0.567	78%	0.782	S	S	*	*			trans	-61.6	165.3	171.6	0	0	0	0	0	112.8
286	G	32	Very low	34	Very low	73 Å²	73	147.3 Å²	147.3	75%	0.753	78%	0.783	S	S	*	*			cis	113.5	116.8	40.8	0	0	0	0	0	108.3
287	K	35.7	Very low	34.5	Very low	209 Å²	209	151.7 Å²	151.7	91%	0.909	79%	0.785	S	S	*	*			trans	178.6	136.5	132	-108.5	173	178.5	166.4	0	115
288	D	36.8	Very low	35.4	Very low	139 Å²	139	150 Å²	150	74%	0.743	78%	0.782	S	S	*	*			trans	-58	163	171.3	-52	-73.3	0	0	0	115.5
289	R	35.4	Very low	35.5	Very low	253 Å²	253	147.5 Å²	147.5	96%	0.955	78%	0.779	S	S	*	*				-156.4	119.3	128.9	-105.6	170.1	-167	-175.8	3.7	111.6
290	E	37.6	Very low	35.8	Very low	174 Å²	174	148 Å²	148	81%	0.813	78%	0.781	S	S	*	*			trans	-74.1	-177.6	169.4	-72.4	-178.9	128.1	0	0	113.9
291	T	33.8	Very low	35.9	Very low	140 Å²	140	145.3 Å²	145.3	86%	0.859	78%	0.78	S	S	*	*			trans	104.9	112	162.4	64.4	0	0	0	0	112.8
292	G	33.6	Very low	36.2	Very low	69 Å²	69	140.6 Å²	140.6	71%	0.711	77%	0.769	S	S	*	*				94.6	131.4	52.8	0	0	0	0	0	106.3
293	D	36.8	Very low	36.6	Very low	137 Å²	137	141.3 Å²	141.3	73%	0.733	77%	0.769	S	S	*	*			cis	-171.5	155.9	31.2	-108.6	-32.5	0	0	0	109.3
294	E	38.6	Very low	37.2	Very low	154 Å²	154	140.4 Å²	140.4	72%	0.72	77%	0.769	S	S	*	*				52.2	153.4	129.5	-59.7	179.5	164.8	0	0	121.3
295	E	38.2	Very low	37.9	Very low	157 Å²	157	145.7 Å²	145.7	73%	0.734	79%	0.788	S	S	*	*			cis	-170.1	179.8	-6.9	-114.2	-166.6	167.3	0	0	107.8
296	E	33.9	Very low	38.2	Very low	177 Å²	177	150.2 Å²	150.2	83%	0.827	80%	0.799	S	S	*	*			trans	97.6	89.9	152.1	-64.6	-142	140.3	0	0	120.5
297	E	38.8	Very low	38.5	Very low	162 Å²	162	154.3 Å²	154.3	76%	0.757	80%	0.802	S	S	*	*				-39.7	163.9	124.6	-84.7	-93.6	159.9	0	0	112.4
298	P	52	Low	38.7	Very low	120 Å²	120	151.2 Å²	151.2	78%	0.779	80%	0.796	S	S	*	*			cis	-150.5	173.4	36.2	34.4	-10.3	0	0	0	117.9
299	G	36.7	Very low	38.8	Very low	58 Å²	58	151.9 Å²	151.9	60%	0.598	80%	0.799	S	S	*	*				127.3	108.8	127.3	0	0	0	0	0	120
300	K	39.5	Very low	39	Very low	210 Å²	210	145.6 Å²	145.6	91%	0.913	79%	0.789	S	S	*	*				70.4	115.8	124.1	-87.4	179.4	-177.3	172.8	0	120.7
301	S	36.5	Very low	39.1	Very low	101 Å²	101	143.7 Å²	143.7	71%	0.706	79%	0.787	S	S	*	*				121.1	118.3	107.5	-159.1	0	0	0	0	118
302	S	38.2	Very low	39.4	Very low	100 Å²	100	144 Å²	144	70%	0.699	78%	0.782	S	S	*	*				79.6	141.7	127.9	62.9	0	0	0	0	123.3
303	K	40.6	Very low	39.9	Very low	188 Å²	188	149.8 Å²	149.8	82%	0.817	79%	0.788	S	S	*	*			trans	90.9	108.8	147.8	-89.6	176.5	166.9	171	0	117.5
304	V	44.7	Very low	40.2	Very low	121 Å²	121	150.8 Å²	150.8	73%	0.733	79%	0.792	S	S	*	*				75.5	100.1	89.3	170.6	0	0	0	0	111
305	Q	44.2	Very low	40.3	Very low	262 Å²	262	150.5 Å²	150.5	100%	1.224	80%	0.799	S	S	*	*				-178.1	0	109.7	-117.3	169.1	-18.4	0	0	110

Retrieved 305 of 305 residues in 537.2 ms (Link to these results)

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