A0A077ZNJ2_TRITR Loading...

DUF1190 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNJ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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	37.4	Very low	56.7	Low	235 Å²	235	119.1 Å²	119.1	100%	1.158	68%	0.677	S	S	*	*				0	105	0	-64.1	-178.3	-173.6	0	0	108.6
2	L	46	Very low	59.3	Low	180 Å²	180	109.2 Å²	109.2	94%	0.942	62%	0.62	S	S	*	*			trans	-147.2	63.6	155.3	-82	101.6	0	0	0	108.2	G4	L2-G4 PolarHBondContact O-N 2.82Å
3	A	53.5	Low	61.7	Low	93 Å²	93	102.5 Å²	102.5	77%	0.769	59%	0.585	S	S	*	*			trans	-73.2	86.6	145.3	0	0	0	0	0	106.3	C5	A3-C5 PolarHBondContact O-SG 2.75Å; A3-C5 VanDerWaalsContact O-SG 3.42Å
4	G	47	Very low	63.9	Low	70 Å²	70	95.1 Å²	95.1	72%	0.722	54%	0.543	S	S	*	.			trans	-101.6	85.7	154.9	0	0	0	0	0	105.5	L2	L2-G4 PolarHBondContact O-N 2.82Å
5	C	46	Very low	65.9	Low	108 Å²	108	89.5 Å²	89.5	73%	0.73	51%	0.509	S	S	*	.				54.7	114.2	76	-66.8	0	0	0	0	111.9	A3	A3-C5 PolarHBondContact O-SG 2.75Å; A3-C5 VanDerWaalsContact O-SG 3.42Å
6	E	50.2	Low	67.6	Low	177 Å²	177	89.9 Å²	89.9	83%	0.827	51%	0.505	S	S	*	.			trans	76	75.8	-177.3	-67.9	175.1	88.6	0	0	115.4	S8	E6-S8 PolarHBondContact O-N 2.97Å
7	K	51	Low	69.1	Low	196 Å²	196	88 Å²	88	85%	0.852	49%	0.494	S	S	*	.				44.5	34.7	84.4	-66	-154.5	174.2	74.9	0	115.3	D9	K7-D9 PolarHBondContact O-N 3.5Å
8	S	59.7	Low	70.4	Confident	47 Å²	47	83.8 Å²	83.8	33%	0.329	47%	0.472	S	S	.	.			trans	-91.1	51.2	156	-78.7	0	0	0	0	110.2	E6 K149	E6-S8 PolarHBondContact O-N 2.97Å; S8-K149 WeakPolarHBondContact O-CG 2.99Å; S8-K149 PolarHBondContact O-N 3.21Å; S8-K149 PolarHBondContact OG-NZ 2.9Å
9	D	72.2	Confident	71.6	Confident	98 Å²	98	86.1 Å²	86.1	52%	0.524	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.5	175.1	-88.8	-6.9	0	0	0	107.6	K7 T146 V147	K7-D9 PolarHBondContact O-N 3.5Å; D9-T146 HydrophobicContact CB-CG2 3.39Å; D9-V147 CarbonylContact C-O 3.6Å
10	E	75.7	Confident	72.6	Confident	39 Å²	39	83.9 Å²	83.9	18%	0.182	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.9	179.5	-70.4	-173	165.1	0	0	109.9	V12 T146 V147 K149	E10-V12 PolarHBondContact O-N 3.29Å; E10-T146 WeakPolarHBondContact O-CA 3.39Å; E10-V147 PolarHBondContact N-O 2.82Å; E10-V147 PolarHBondContact O-N 3.26Å; E10-K149 VanDerWaalsContact CD-CG 3.49Å; E10-K149 HydrophobicContact CG-CG 3.76Å; E10-K149 WeakPolarHBondContact OE1-CE 3.17Å; E10-K149 WeakPolarHBondContact OE1-CG 3.13Å
11	T	85.3	Confident	73.6	Confident	67 Å²	67	79.9 Å²	79.9	41%	0.411	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	113.9	167.8	-51.9	0	0	0	0	108.4	R101 M145	T11-R101 PolarHBondContact O-N 2.63Å; T11-M145 WeakPolarHBondContact CA-O 3.34Å
12	V	88.1	Confident	76.2	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	147.8	173.3	-62.2	0	0	0	0	109.8	E10 M98 M99 T144 M145 V147 M152	E10-V12 PolarHBondContact O-N 3.29Å; V12-M98 HydrophobicContact CB-CB 4.3Å; V12-M98 HydrophobicContact CG2-CB 4.49Å; V12-M98 HydrophobicContact CG2-CG 4.3Å; V12-M98 HydrophobicContact CG2-SD 4.2Å; V12-M99 CarbonylContact C-O 3.58Å; V12-M99 WeakPolarHBondContact CA-O 3.39Å; V12-T144 CarbonylContact O-C 3.59Å; V12-T144 VanDerWaalsContact O-CA 3.23Å; V12-T144 WeakPolarHBondContact O-CA 3.45Å; V12-M145 HydrophobicContact CG2-CG 3.86Å; V12-M145 WeakPolarHBondContact CG2-O 3.5Å; V12-M145 PolarHBondContact N-O 3.32Å; V12-M145 PolarHBondContact O-N 3.12Å; V12-V147 HydrophobicContact CB-CG2 4.27Å; V12-V147 HydrophobicContact CG1-CG2 3.46Å; V12-V147 VanDerWaalsContact CG1-CG2 3.46Å; V12-V147 HydrophobicContact CG2-CB 4.41Å; V12-V147 HydrophobicContact CG2-CG1 3.75Å; V12-V147 HydrophobicContact CG2-CG2 3.76Å; V12-M152 HydrophobicContact CG1-CE 3.76Å; V12-M152 HydrophobicContact CG1-CG 4.09Å; V12-M152 HydrophobicContact CG1-SD 3.48Å; V12-M152 WeakPolarHBondContact CG1-SD 3.36Å
13	S	90.4	Very high	78.4	Confident	22 Å²	22	65 Å²	65	15%	0.154	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138	170	-53.2	0	0	0	0	109	Y15 M98 M99 T144	S13-Y15 VanDerWaalsContact CB-CE2 3.45Å; S13-Y15 WeakPolarHBondContact CB-OH 3.28Å; S13-Y15 PolarHBondContact OG-OH 2.93Å; S13-M98 WeakPolarHBondContact O-CA 3.4Å; S13-M99 PolarHBondContact N-O 3.32Å; S13-M99 PolarHBondContact O-N 3.48Å; S13-T144 WeakPolarHBondContact OG-CG2 3.45Å
14	L	92.1	Very high	80.1	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.2	179.6	-65.9	164.9	0	0	0	109.2	M98 L114 Y128 G142 R143 M145	L14-M98 HydrophobicContact CD2-CG 3.39Å; L14-M98 HydrophobicContact CD2-SD 4.21Å; L14-M98 HydrophobicContact CG-CG 4.5Å; L14-L114 HydrophobicContact CD2-CD1 3.16Å; L14-Y128 HydrophobicContact CB-CE2 4.3Å; L14-Y128 HydrophobicContact CD1-CD2 4.01Å; L14-Y128 HydrophobicContact CD1-CE2 4.46Å; L14-Y128 HydrophobicContact CD2-CD2 4.03Å; L14-Y128 HydrophobicContact CG-CD2 4.45Å; L14-G142 PolarHBondContact O-N 3.18Å; L14-R143 WeakPolarHBondContact CB-O 3.37Å; L14-R143 HydrophobicContact CD1-CB 3.9Å; L14-R143 PolarHBondContact N-O 3.01Å; L14-M145 HydrophobicContact CD1-CG 4.31Å; L14-M145 HydrophobicContact CD1-SD 3.43Å; L14-M145 WeakPolarHBondContact CD1-SD 3.45Å; L14-M145 HydrophobicContact CG-SD 4.21Å
15	Y	94	Very high	82	Confident	10 Å²	10	61.9 Å²	61.9	4%	0.039	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.9	177.5	-58	-63.7	0	0	0	110.7	S13 D20 C21 A24 N25 G96 Y97 M99	S13-Y15 VanDerWaalsContact CB-CE2 3.45Å; S13-Y15 WeakPolarHBondContact CB-OH 3.28Å; S13-Y15 PolarHBondContact OG-OH 2.93Å; Y15-D20 VanDerWaalsContact CA-OD2 3.27Å; Y15-D20 WeakPolarHBondContact CA-OD2 3.32Å; Y15-C21 HydrophobicContact CD1-CB 3.91Å; Y15-C21 HydrophobicContact CD2-CB 3.65Å; Y15-C21 HydrophobicContact CE1-CB 4.33Å; Y15-C21 HydrophobicContact CE2-CB 4.06Å; Y15-C21 HydrophobicContact CG-CB 3.56Å; Y15-A24 HydrophobicContact CE1-CB 3.67Å; Y15-N25 PolarHBondContact OH-ND2 2.94Å; Y15-G96 CarbonylContact O-C 3.5Å; Y15-G96 WeakPolarHBondContact O-CA 3.42Å; Y15-Y97 HydrophobicContact CD2-CE2 4.21Å; Y15-Y97 PolarHBondContact N-O 2.78Å; Y15-Y97 WeakPolarHBondContact O-CD1 3.21Å; Y15-Y97 PolarHBondContact O-N 2.83Å; Y15-M99 HydrophobicContact CD2-CB 4.05Å; Y15-M99 HydrophobicContact CE2-CB 3.94Å; Y15-M99 HydrophobicContact CE2-SD 4.14Å
16	Q	93	Very high	83.9	Confident	96 Å²	96	62 Å²	62	45%	0.449	35%	0.348	S	S	.	.	S	Bend	trans	-75.2	-40.1	173.8	-86.9	-179.1	100.1	0	0	112	D20 Y128 P141	Q16-D20 PolarHBondContact N-OD2 3.44Å; Q16-Y128 WeakPolarHBondContact CG-OH 3.46Å; Q16-P141 HydrophobicContact CB-CB 4.49Å; Q16-P141 HydrophobicContact CG-CB 3.99Å; Q16-P141 HydrophobicContact CG-CG 4.3Å
17	N	92.9	Very high	85.8	Confident	58 Å²	58	57 Å²	57	31%	0.31	35%	0.345	S	S	.	.	S	Bend	trans	-156.6	177	-175.7	57.6	43.7	0	0	0	110.6	D19 D20 C21 Y36	N17-D19 PolarHBondContact O-N 2.71Å; N17-D19 WeakPolarHBondContact OD1-CB 3.37Å; N17-D19 PolarHBondContact OD1-N 2.89Å; N17-D19 VanDerWaalsContact OD1-N 3.08Å; N17-D20 PolarHBondContact O-N 3.42Å; N17-D20 WeakPolarHBondContact OD1-CB 3.45Å; N17-D20 PolarHBondContact OD1-N 3.17Å; N17-C21 PolarHBondContact O-N 2.96Å; N17-C21 VanDerWaalsContact O-N 3.16Å; N17-Y36 HydrophobicContact CB-CE2 4.15Å
18	A	92.6	Very high	87.5	Confident	13 Å²	13	52.5 Å²	52.5	11%	0.107	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-31.6	179.9	0	0	0	0	0	113.1	C21 S22 Y36	A18-C21 PolarHBondContact O-N 2.92Å; A18-S22 WeakPolarHBondContact O-CB 3.26Å; A18-S22 PolarHBondContact O-N 3.12Å; A18-S22 PolarHBondContact O-OG 2.95Å; A18-Y36 HydrophobicContact CB-CD1 4.33Å; A18-Y36 HydrophobicContact CB-CG 4.15Å
19	D	93.4	Very high	88.9	Confident	126 Å²	126	52.7 Å²	52.7	67%	0.674	33%	0.326	S	S	*	.	H	α-helix	trans	-70.2	-45.5	-179.5	-60.6	-38.3	0	0	0	111.5	N17 C21 S22 A23	N17-D19 PolarHBondContact O-N 2.71Å; N17-D19 WeakPolarHBondContact OD1-CB 3.37Å; N17-D19 PolarHBondContact OD1-N 2.89Å; N17-D19 VanDerWaalsContact OD1-N 3.08Å; D19-C21 VanDerWaalsContact C-N 3.3Å; D19-C21 PolarHBondContact O-N 2.92Å; D19-S22 PolarHBondContact O-N 3.36Å; D19-S22 VanDerWaalsContact O-N 3.15Å; D19-A23 WeakPolarHBondContact O-CB 3.24Å; D19-A23 PolarHBondContact O-N 3.23Å
20	D	92.6	Very high	89.7	Confident	42 Å²	42	51.3 Å²	51.3	23%	0.225	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-43.3	173.9	178.3	47.7	0	0	0	111	Y15 Q16 N17 A23 A24 P141	Y15-D20 VanDerWaalsContact CA-OD2 3.27Å; Y15-D20 WeakPolarHBondContact CA-OD2 3.32Å; Q16-D20 PolarHBondContact N-OD2 3.44Å; N17-D20 PolarHBondContact O-N 3.42Å; N17-D20 WeakPolarHBondContact OD1-CB 3.45Å; N17-D20 PolarHBondContact OD1-N 3.17Å; D20-A23 PolarHBondContact O-N 3.49Å; D20-A24 WeakPolarHBondContact O-CB 3.42Å; D20-A24 PolarHBondContact O-N 2.99Å; D20-P141 WeakPolarHBondContact OD2-CB 3.06Å
21	C	91.8	Very high	90.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-44.1	173.3	178.5	0	0	0	0	112.8	Y15 N17 A18 D19 A23 A24 N25 C32 Y97 M99	Y15-C21 HydrophobicContact CD1-CB 3.91Å; Y15-C21 HydrophobicContact CD2-CB 3.65Å; Y15-C21 HydrophobicContact CE1-CB 4.33Å; Y15-C21 HydrophobicContact CE2-CB 4.06Å; Y15-C21 HydrophobicContact CG-CB 3.56Å; N17-C21 PolarHBondContact O-N 2.96Å; N17-C21 VanDerWaalsContact O-N 3.16Å; A18-C21 PolarHBondContact O-N 2.92Å; D19-C21 VanDerWaalsContact C-N 3.3Å; D19-C21 PolarHBondContact O-N 2.92Å; C21-A23 VanDerWaalsContact C-N 3.34Å; C21-A24 CarbonylContact O-C 3.58Å; C21-A24 PolarHBondContact O-N 3.43Å; C21-N25 WeakPolarHBondContact O-CB 3.27Å; C21-N25 PolarHBondContact O-N 3.46Å; C21-N25 PolarHBondContact O-ND2 3.41Å; C21-C32 HydrophobicContact CB-CB 3.55Å; C21-C32 WeakPolarHBondContact CB-SG 3.32Å; C21-C32 PolarHBondContact O-SG 3.41Å; C21-C32 VanDerWaalsContact O-SG 3.35Å; C21-C32 VanDerWaalsContact SG-CA 3.56Å; C21-C32 WeakPolarHBondContact SG-CB 3.48Å; C21-C32 CovalentContact SG-SG 2.04Å; C21-C32 PolarHBondContact SG-SG 3.35Å; C21-Y97 WeakPolarHBondContact CB-OH 3.25Å; C21-Y97 PolarHBondContact SG-OH 2.79Å; C21-Y97 VanDerWaalsContact SG-OH 3.35Å; C21-M99 WeakPolarHBondContact SG-CE 3.03Å
22	S	92.1	Very high	90.7	Very high	21 Å²	21	49.1 Å²	49.1	15%	0.147	31%	0.314	C	S	.	.	H	α-helix	trans	-69.2	-34.8	-178.9	-57.2	0	0	0	0	111.3	A18 D19 N25 P26 S29 C32	A18-S22 WeakPolarHBondContact O-CB 3.26Å; A18-S22 PolarHBondContact O-N 3.12Å; A18-S22 PolarHBondContact O-OG 2.95Å; D19-S22 PolarHBondContact O-N 3.36Å; D19-S22 VanDerWaalsContact O-N 3.15Å; S22-N25 CarbonylContact O-C 3.02Å; S22-N25 PolarHBondContact O-N 3.15Å; S22-P26 VanDerWaalsContact O-CA 3.28Å; S22-P26 WeakPolarHBondContact O-CA 2.79Å; S22-S29 WeakPolarHBondContact OG-CA 3.34Å; S22-C32 PolarHBondContact N-SG 2.91Å; S22-C32 VanDerWaalsContact N-SG 3.41Å; S22-C32 WeakPolarHBondContact OG-CB 3.37Å
23	A	91.9	Very high	90.9	Very high	82 Å²	82	52.4 Å²	52.4	68%	0.678	33%	0.333	S	S	*	.	H	α-helix	trans	-64.6	-40.7	173	0	0	0	0	0	111.5	D19 D20 C21 N25	D19-A23 WeakPolarHBondContact O-CB 3.24Å; D19-A23 PolarHBondContact O-N 3.23Å; D20-A23 PolarHBondContact O-N 3.49Å; C21-A23 VanDerWaalsContact C-N 3.34Å; A23-N25 VanDerWaalsContact C-N 3.33Å
24	A	89.2	Confident	90.9	Very high	58 Å²	58	54.1 Å²	54.1	48%	0.479	34%	0.343	S	S	.	.	H	α-helix	trans	-73.9	-24.1	173.9	0	0	0	0	0	113.2	Y15 D20 C21	Y15-A24 HydrophobicContact CE1-CB 3.67Å; D20-A24 WeakPolarHBondContact O-CB 3.42Å; D20-A24 PolarHBondContact O-N 2.99Å; C21-A24 CarbonylContact O-C 3.58Å; C21-A24 PolarHBondContact O-N 3.43Å
25	N	88.3	Confident	90.9	Very high	39 Å²	39	54.2 Å²	54.2	21%	0.209	34%	0.344	C	S	.	.			trans	-134.5	72.3	-176.8	-53.8	-92.2	0	0	0	111.3	Y15 C21 S22 A23 G27 K28	Y15-N25 PolarHBondContact OH-ND2 2.94Å; C21-N25 WeakPolarHBondContact O-CB 3.27Å; C21-N25 PolarHBondContact O-N 3.46Å; C21-N25 PolarHBondContact O-ND2 3.41Å; S22-N25 CarbonylContact O-C 3.02Å; S22-N25 PolarHBondContact O-N 3.15Å; A23-N25 VanDerWaalsContact C-N 3.33Å; N25-G27 PolarHBondContact O-N 3.14Å; N25-K28 HydrophobicContact CB-CB 3.82Å; N25-K28 HydrophobicContact CB-CD 4.19Å; N25-K28 HydrophobicContact CB-CG 4.32Å; N25-K28 PolarHBondContact O-N 3.39Å
26	P	85.8	Confident	90.8	Very high	110 Å²	110	56.9 Å²	56.9	71%	0.714	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.4	-173.6	20.6	-32.9	0	0	0	114.4	S22	S22-P26 VanDerWaalsContact O-CA 3.28Å; S22-P26 WeakPolarHBondContact O-CA 2.79Å
27	G	88.6	Confident	90.8	Very high	73 Å²	73	55.9 Å²	55.9	75%	0.753	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	4.9	174.5	0	0	0	0	0	115.3	N25	N25-G27 PolarHBondContact O-N 3.14Å
28	K	87.1	Confident	90.7	Very high	102 Å²	102	55.3 Å²	55.3	44%	0.443	35%	0.349	S	S	.	.			trans	-131.6	25.3	-174.4	-60.7	176.1	166.3	-67.6	0	113.3	N25 A30 E31 C32	N25-K28 HydrophobicContact CB-CB 3.82Å; N25-K28 HydrophobicContact CB-CD 4.19Å; N25-K28 HydrophobicContact CB-CG 4.32Å; N25-K28 PolarHBondContact O-N 3.39Å; K28-A30 VanDerWaalsContact C-N 3.26Å; K28-A30 PolarHBondContact O-N 3.47Å; K28-E31 WeakPolarHBondContact CA-OE2 3.46Å; K28-E31 HydrophobicContact CB-CB 4.37Å; K28-E31 PolarHBondContact O-N 3.42Å; K28-E31 VanDerWaalsContact O-N 3.12Å; K28-C32 PolarHBondContact O-N 3.34Å; K28-C32 PolarHBondContact O-SG 2.85Å; K28-C32 VanDerWaalsContact O-SG 3.34Å
29	S	89.2	Confident	90.6	Very high	51 Å²	51	54.7 Å²	54.7	36%	0.357	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-38.2	-175.4	-47.4	0	0	0	0	112.3	S22 E31 C32 T33	S22-S29 WeakPolarHBondContact OG-CA 3.34Å; S29-E31 PolarHBondContact O-N 2.92Å; S29-C32 WeakPolarHBondContact O-CB 3.44Å; S29-C32 PolarHBondContact O-N 2.89Å; S29-T33 PolarHBondContact O-N 3.37Å; S29-T33 PolarHBondContact O-OG1 3.41Å
30	A	90.5	Very high	90.5	Very high	68 Å²	68	51.1 Å²	51.1	56%	0.562	32%	0.324	S	S	*	.	H	α-helix	trans	-64.8	-40.3	177.3	0	0	0	0	0	112.1	K28 T33 T34	K28-A30 VanDerWaalsContact C-N 3.26Å; K28-A30 PolarHBondContact O-N 3.47Å; A30-T33 PolarHBondContact O-N 2.82Å; A30-T34 WeakPolarHBondContact O-CB 3.48Å; A30-T34 PolarHBondContact O-N 3.47Å; A30-T34 PolarHBondContact O-OG1 3.37Å
31	E	88.7	Confident	90.4	Very high	61 Å²	61	55.4 Å²	55.4	29%	0.285	34%	0.341	S	S	.	.	H	α-helix	trans	-67.6	-36.8	174.3	-60.3	95.8	130	0	0	111.4	K28 S29 T34 A35 F109	K28-E31 WeakPolarHBondContact CA-OE2 3.46Å; K28-E31 HydrophobicContact CB-CB 4.37Å; K28-E31 PolarHBondContact O-N 3.42Å; K28-E31 VanDerWaalsContact O-N 3.12Å; S29-E31 PolarHBondContact O-N 2.92Å; E31-T34 PolarHBondContact O-N 3.3Å; E31-A35 VanDerWaalsContact O-CB 3.24Å; E31-A35 WeakPolarHBondContact O-CB 3.32Å; E31-A35 PolarHBondContact O-N 2.8Å; E31-F109 HydrophobicContact CB-CE1 4.14Å; E31-F109 HydrophobicContact CG-CE1 4.1Å; E31-F109 HydrophobicContact CG-CZ 4.16Å
32	C	91.6	Very high	90.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-49.3	173.2	-70	0	0	0	0	112.2	C21 S22 K28 S29 T34 A35 Y36 Y97 M99	C21-C32 HydrophobicContact CB-CB 3.55Å; C21-C32 WeakPolarHBondContact CB-SG 3.32Å; C21-C32 PolarHBondContact O-SG 3.41Å; C21-C32 VanDerWaalsContact O-SG 3.35Å; C21-C32 VanDerWaalsContact SG-CA 3.56Å; C21-C32 WeakPolarHBondContact SG-CB 3.48Å; C21-C32 CovalentContact SG-SG 2.04Å; C21-C32 PolarHBondContact SG-SG 3.35Å; S22-C32 PolarHBondContact N-SG 2.91Å; S22-C32 VanDerWaalsContact N-SG 3.41Å; S22-C32 WeakPolarHBondContact OG-CB 3.37Å; K28-C32 PolarHBondContact O-N 3.34Å; K28-C32 PolarHBondContact O-SG 2.85Å; K28-C32 VanDerWaalsContact O-SG 3.34Å; S29-C32 WeakPolarHBondContact O-CB 3.44Å; S29-C32 PolarHBondContact O-N 2.89Å; C32-T34 VanDerWaalsContact C-N 3.34Å; C32-T34 PolarHBondContact O-N 3.12Å; C32-A35 PolarHBondContact O-N 2.75Å; C32-Y36 VanDerWaalsContact O-CB 3.32Å; C32-Y36 WeakPolarHBondContact O-CB 3.47Å; C32-Y36 PolarHBondContact O-N 2.99Å; C32-Y97 PolarHBondContact O-OH 2.04Å; C32-M99 HydrophobicContact CB-CE 4.38Å
33	T	92.5	Very high	90.2	Very high	68 Å²	68	56.4 Å²	56.4	42%	0.417	34%	0.344	S	S	.	.	H	α-helix	trans	-60.9	-43.7	175.2	-55.2	0	0	0	0	111.5	S29 A30 Y36 N37	S29-T33 PolarHBondContact O-N 3.37Å; S29-T33 PolarHBondContact O-OG1 3.41Å; A30-T33 PolarHBondContact O-N 2.82Å; T33-Y36 PolarHBondContact O-N 3.33Å; T33-N37 WeakPolarHBondContact O-CB 3.43Å; T33-N37 VanDerWaalsContact O-CG 3.25Å; T33-N37 PolarHBondContact O-N 2.91Å; T33-N37 PolarHBondContact O-ND2 3.1Å; T33-N37 VanDerWaalsContact O-ND2 3.17Å
34	T	91.9	Very high	90	Very high	59 Å²	59	56.4 Å²	56.4	36%	0.362	33%	0.33	S	S	.	.	H	α-helix	trans	-63.9	-47.7	179.6	-59.8	0	0	0	0	111.7	A30 E31 C32 N37 N38 F109	A30-T34 WeakPolarHBondContact O-CB 3.48Å; A30-T34 PolarHBondContact O-N 3.47Å; A30-T34 PolarHBondContact O-OG1 3.37Å; E31-T34 PolarHBondContact O-N 3.3Å; C32-T34 VanDerWaalsContact C-N 3.34Å; C32-T34 PolarHBondContact O-N 3.12Å; T34-N37 PolarHBondContact O-N 3.02Å; T34-N38 WeakPolarHBondContact O-CB 3.42Å; T34-N38 VanDerWaalsContact O-CG 3.3Å; T34-N38 PolarHBondContact O-N 3.43Å; T34-N38 PolarHBondContact O-ND2 2.92Å; T34-F109 HydrophobicContact CG2-CD2 4.3Å; T34-F109 HydrophobicContact CG2-CE2 4.25Å
35	A	90.5	Very high	89.8	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-64.1	-41	178.1	0	0	0	0	0	111.6	E31 C32 N38 A39 Y97 M99 Q111	E31-A35 VanDerWaalsContact O-CB 3.24Å; E31-A35 WeakPolarHBondContact O-CB 3.32Å; E31-A35 PolarHBondContact O-N 2.8Å; C32-A35 PolarHBondContact O-N 2.75Å; A35-N38 PolarHBondContact O-N 2.98Å; A35-A39 VanDerWaalsContact O-CB 3.26Å; A35-A39 WeakPolarHBondContact O-CB 3.37Å; A35-A39 PolarHBondContact O-N 2.68Å; A35-Y97 HydrophobicContact CB-CD2 4.36Å; A35-Y97 HydrophobicContact CB-CE2 3.78Å; A35-M99 HydrophobicContact CB-CE 3.4Å; A35-Q111 HydrophobicContact CB-CB 4.39Å; A35-Q111 WeakPolarHBondContact O-CG 3.44Å
36	Y	92.9	Very high	89.8	Confident	67 Å²	67	55.6 Å²	55.6	26%	0.263	31%	0.312	S	S	.	.	H	α-helix	trans	-62	-47.9	175.6	-179	-106.9	0	0	0	111.9	N17 A18 C32 T33 N38 A39 L40 Y97	N17-Y36 HydrophobicContact CB-CE2 4.15Å; A18-Y36 HydrophobicContact CB-CD1 4.33Å; A18-Y36 HydrophobicContact CB-CG 4.15Å; C32-Y36 VanDerWaalsContact O-CB 3.32Å; C32-Y36 WeakPolarHBondContact O-CB 3.47Å; C32-Y36 PolarHBondContact O-N 2.99Å; T33-Y36 PolarHBondContact O-N 3.33Å; Y36-N38 PolarHBondContact O-N 3.31Å; Y36-A39 PolarHBondContact O-N 2.85Å; Y36-A39 VanDerWaalsContact O-N 3.15Å; Y36-L40 HydrophobicContact CD1-CD1 3.98Å; Y36-L40 HydrophobicContact CD1-CG 4.48Å; Y36-L40 HydrophobicContact CE1-CD1 3.5Å; Y36-L40 VanDerWaalsContact CE1-CD1 3.5Å; Y36-L40 HydrophobicContact CE1-CG 4.11Å; Y36-L40 PolarHBondContact O-N 3.3Å; Y36-Y97 AromaticContact CD2-CD1 3.85Å; Y36-Y97 HydrophobicContact CD2-CD1 3.85Å; Y36-Y97 AromaticContact CD2-CE1 3.76Å; Y36-Y97 HydrophobicContact CD2-CE1 3.76Å; Y36-Y97 HydrophobicContact CG-CE1 4.44Å
37	N	92.5	Very high	90	Very high	74 Å²	74	50.4 Å²	50.4	40%	0.396	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-40.4	178.4	-73.9	-29.2	0	0	0	112.8	T33 T34 A39 L40 K41	T33-N37 WeakPolarHBondContact O-CB 3.43Å; T33-N37 VanDerWaalsContact O-CG 3.25Å; T33-N37 PolarHBondContact O-N 2.91Å; T33-N37 PolarHBondContact O-ND2 3.1Å; T33-N37 VanDerWaalsContact O-ND2 3.17Å; T34-N37 PolarHBondContact O-N 3.02Å; N37-A39 VanDerWaalsContact C-N 3.33Å; N37-L40 PolarHBondContact O-N 2.84Å; N37-K41 WeakPolarHBondContact O-CG 3.36Å; N37-K41 PolarHBondContact O-N 3.26Å; N37-K41 VanDerWaalsContact O-N 3.14Å
38	N	90.2	Very high	89.9	Confident	47 Å²	47	47.1 Å²	47.1	25%	0.251	24%	0.243	S	C	.	.	H	α-helix	trans	-68.4	-36	175.4	-71.6	-29.5	0	0	0	111.6	T34 A35 Y36 L40 K41 E42 Q111	T34-N38 WeakPolarHBondContact O-CB 3.42Å; T34-N38 VanDerWaalsContact O-CG 3.3Å; T34-N38 PolarHBondContact O-N 3.43Å; T34-N38 PolarHBondContact O-ND2 2.92Å; A35-N38 PolarHBondContact O-N 2.98Å; Y36-N38 PolarHBondContact O-N 3.31Å; N38-L40 VanDerWaalsContact C-N 3.33Å; N38-K41 PolarHBondContact O-N 3.21Å; N38-E42 WeakPolarHBondContact O-CG 2.94Å; N38-E42 PolarHBondContact O-N 3.35Å; N38-Q111 HydrophobicContact CB-CG 3.68Å
39	A	91.6	Very high	90	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.9	-36.5	176.2	0	0	0	0	0	111.1	A35 Y36 N37 E42 A43 M94 Y97 Q111	A35-A39 VanDerWaalsContact O-CB 3.26Å; A35-A39 WeakPolarHBondContact O-CB 3.37Å; A35-A39 PolarHBondContact O-N 2.68Å; Y36-A39 PolarHBondContact O-N 2.85Å; Y36-A39 VanDerWaalsContact O-N 3.15Å; N37-A39 VanDerWaalsContact C-N 3.33Å; A39-E42 PolarHBondContact O-N 3.49Å; A39-A43 WeakPolarHBondContact O-CB 3.39Å; A39-A43 PolarHBondContact O-N 3.49Å; A39-M94 HydrophobicContact CB-CE 3.43Å; A39-M94 VanDerWaalsContact CB-CE 3.43Å; A39-M94 HydrophobicContact CB-SD 4.17Å; A39-Y97 HydrophobicContact CB-CG 4.29Å; A39-Q111 HydrophobicContact CB-CB 4.17Å; A39-Q111 HydrophobicContact CB-CG 3.84Å
40	L	91	Very high	90	Very high	50 Å²	50	40 Å²	40	26%	0.262	21%	0.206	S	C	.	.	H	α-helix	trans	-59.4	-47.9	171.2	-74.6	174.6	0	0	0	111.9	Y36 N37 N38 E42 A43 E44 M94	Y36-L40 HydrophobicContact CD1-CD1 3.98Å; Y36-L40 HydrophobicContact CD1-CG 4.48Å; Y36-L40 HydrophobicContact CE1-CD1 3.5Å; Y36-L40 VanDerWaalsContact CE1-CD1 3.5Å; Y36-L40 HydrophobicContact CE1-CG 4.11Å; Y36-L40 PolarHBondContact O-N 3.3Å; N37-L40 PolarHBondContact O-N 2.84Å; N38-L40 VanDerWaalsContact C-N 3.33Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-E42 PolarHBondContact O-N 2.82Å; L40-A43 WeakPolarHBondContact O-CB 2.97Å; L40-A43 PolarHBondContact O-N 3.01Å; L40-A43 VanDerWaalsContact O-N 3.16Å; L40-E44 WeakPolarHBondContact O-CG 3.46Å; L40-E44 PolarHBondContact O-N 2.92Å; L40-M94 VanDerWaalsContact CA-SD 3.57Å; L40-M94 HydrophobicContact CB-SD 4.49Å; L40-M94 HydrophobicContact CD2-SD 3.81Å; L40-M94 HydrophobicContact CG-SD 4.25Å; L40-M94 PolarHBondContact N-SD 2.78Å
41	K	89.4	Confident	89.8	Confident	132 Å²	132	39 Å²	39	57%	0.574	20%	0.198	S	C	*	.	H	α-helix	trans	-61.1	-41.7	175.9	-69	174.7	-178.3	177.2	0	112.3	N37 N38 E44 R45	N37-K41 WeakPolarHBondContact O-CG 3.36Å; N37-K41 PolarHBondContact O-N 3.26Å; N37-K41 VanDerWaalsContact O-N 3.14Å; N38-K41 PolarHBondContact O-N 3.21Å; K41-E44 PolarHBondContact O-N 2.7Å; K41-R45 PolarHBondContact O-N 3.08Å
42	E	88.5	Confident	89.8	Confident	39 Å²	39	38.6 Å²	38.6	18%	0.182	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-42.1	174.6	-75.5	-64.1	122.7	0	0	110.9	N38 A39 L40 E44 R45 T46 P113	N38-E42 WeakPolarHBondContact O-CG 2.94Å; N38-E42 PolarHBondContact O-N 3.35Å; A39-E42 PolarHBondContact O-N 3.49Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-E42 PolarHBondContact O-N 2.82Å; E42-E44 PolarHBondContact O-N 3.15Å; E42-R45 CarbonylContact O-C 3.56Å; E42-R45 PolarHBondContact O-N 2.93Å; E42-R45 VanDerWaalsContact O-N 3.11Å; E42-R45 IonicContact OE1-CZ 2.63Å; E42-R45 IonicContact OE1-NE 3.78Å; E42-R45 IonicContact OE1-NH2 2.68Å; E42-R45 PolarHBondContact OE1-NH2 2.79Å; E42-R45 IonicContact OE2-CZ 3.37Å; E42-R45 IonicContact OE2-NH2 3.99Å; E42-R45 PolarHBondContact OE2-NH2 3.16Å; E42-T46 WeakPolarHBondContact O-CB 3.46Å; E42-T46 WeakPolarHBondContact O-CG2 3.34Å; E42-T46 PolarHBondContact O-N 3.44Å; E42-T46 PolarHBondContact O-OG1 2.84Å; E42-P113 HydrophobicContact CB-CG 4.14Å
43	A	91.1	Very high	89.7	Confident	3 Å²	3	43.9 Å²	43.9	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-44.5	175.2	0	0	0	0	0	111.7	A39 L40 R45 T46 A47 M91 M94 P113 F115	A39-A43 WeakPolarHBondContact O-CB 3.39Å; A39-A43 PolarHBondContact O-N 3.49Å; L40-A43 WeakPolarHBondContact O-CB 2.97Å; L40-A43 PolarHBondContact O-N 3.01Å; L40-A43 VanDerWaalsContact O-N 3.16Å; A43-R45 PolarHBondContact O-N 2.9Å; A43-R45 VanDerWaalsContact O-N 3.13Å; A43-T46 PolarHBondContact O-N 2.9Å; A43-A47 WeakPolarHBondContact O-CA 3.4Å; A43-A47 WeakPolarHBondContact O-CB 3.43Å; A43-A47 PolarHBondContact O-N 3.24Å; A43-M91 WeakPolarHBondContact O-CE 3.43Å; A43-M94 HydrophobicContact CB-CG 3.43Å; A43-M94 VanDerWaalsContact CB-CG 3.43Å; A43-M94 HydrophobicContact CB-SD 3.45Å; A43-M94 WeakPolarHBondContact CB-SD 3.45Å; A43-P113 HydrophobicContact CB-CB 3.67Å; A43-P113 HydrophobicContact CB-CG 4.1Å; A43-F115 HydrophobicContact CB-CE1 4.22Å; A43-F115 HydrophobicContact CB-CZ 3.88Å
44	E	88.1	Confident	89.7	Confident	83 Å²	83	46.7 Å²	46.7	39%	0.388	23%	0.228	S	C	.	.	H	α-helix	trans	-53.7	-36.2	175.7	-74.3	172.5	-165.9	0	0	112.2	L40 K41 E42 K49 A72 M91	L40-E44 WeakPolarHBondContact O-CG 3.46Å; L40-E44 PolarHBondContact O-N 2.92Å; K41-E44 PolarHBondContact O-N 2.7Å; E42-E44 PolarHBondContact O-N 3.15Å; E44-K49 PolarHBondContact O-NZ 3.43Å; E44-A72 WeakPolarHBondContact O-CB 3.46Å; E44-M91 HydrophobicContact CG-CE 4.41Å
45	R	86	Confident	89.6	Confident	80 Å²	80	45.4 Å²	45.4	30%	0.302	22%	0.219	S	C	.	.	H	α-helix	trans	-88.1	-31.8	-179.1	-169.1	179	63.5	73.8	2.6	114.2	K41 E42 A43 K155 A157 T158	K41-R45 PolarHBondContact O-N 3.08Å; E42-R45 CarbonylContact O-C 3.56Å; E42-R45 PolarHBondContact O-N 2.93Å; E42-R45 VanDerWaalsContact O-N 3.11Å; E42-R45 IonicContact OE1-CZ 2.63Å; E42-R45 IonicContact OE1-NE 3.78Å; E42-R45 IonicContact OE1-NH2 2.68Å; E42-R45 PolarHBondContact OE1-NH2 2.79Å; E42-R45 IonicContact OE2-CZ 3.37Å; E42-R45 IonicContact OE2-NH2 3.99Å; E42-R45 PolarHBondContact OE2-NH2 3.16Å; A43-R45 PolarHBondContact O-N 2.9Å; A43-R45 VanDerWaalsContact O-N 3.13Å; R45-K155 VanDerWaalsContact CZ-O 3.23Å; R45-K155 PolarHBondContact NH1-O 2.88Å; R45-K155 PolarHBondContact NH2-O 3.38Å; R45-A157 HydrophobicContact CG-CB 3.59Å; R45-A157 CarbonylContact O-C 3.5Å; R45-A157 VanDerWaalsContact O-CA 3.27Å; R45-A157 WeakPolarHBondContact O-CA 3Å; R45-T158 PolarHBondContact O-N 3.01Å; R45-T158 PolarHBondContact O-OG1 3.33Å
46	T	87.7	Confident	89.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-116.2	-7.3	-170.3	72.5	0	0	0	0	113.9	E42 A43 A131 K155 T158	E42-T46 WeakPolarHBondContact O-CB 3.46Å; E42-T46 WeakPolarHBondContact O-CG2 3.34Å; E42-T46 PolarHBondContact O-N 3.44Å; E42-T46 PolarHBondContact O-OG1 2.84Å; A43-T46 PolarHBondContact O-N 2.9Å; T46-A131 WeakPolarHBondContact O-CB 3.18Å; T46-A131 VanDerWaalsContact OG1-CB 3.27Å; T46-A131 WeakPolarHBondContact OG1-CB 3.27Å; T46-K155 HydrophobicContact CG2-CB 4.07Å; T46-T158 VanDerWaalsContact C-OG1 3.31Å; T46-T158 WeakPolarHBondContact O-CG2 3.1Å
47	A	89.6	Confident	89.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-64.6	145.5	178.5	0	0	0	0	0	110.9	A43 K49 M91 P92 F115 T158	A43-A47 WeakPolarHBondContact O-CA 3.4Å; A43-A47 WeakPolarHBondContact O-CB 3.43Å; A43-A47 PolarHBondContact O-N 3.24Å; A47-K49 WeakPolarHBondContact O-CD 3.27Å; A47-K49 WeakPolarHBondContact O-CE 3.27Å; A47-K49 PolarHBondContact O-N 3.49Å; A47-M91 HydrophobicContact CB-CB 4.13Å; A47-M91 HydrophobicContact CB-CE 3.6Å; A47-P92 HydrophobicContact CB-CG 4.34Å; A47-F115 HydrophobicContact CB-CE1 3.66Å; A47-F115 HydrophobicContact CB-CE2 4.39Å; A47-F115 HydrophobicContact CB-CZ 3.47Å; A47-F115 VanDerWaalsContact CB-CZ 3.47Å; A47-T158 WeakPolarHBondContact O-CB 3.49Å; A47-T158 PolarHBondContact O-OG1 3.18Å
48	P	88.1	Confident	89.7	Confident	4 Å²	4	41.8 Å²	41.8	3%	0.026	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-51.3	133.2	170.9	-25.9	34.1	0	0	0	111.8	Y50 M91 P92 V162 F167	P48-Y50 HydrophobicContact CB-CE2 3.86Å; P48-M91 WeakPolarHBondContact O-CA 3.5Å; P48-P92 HydrophobicContact CG-CG 4.42Å; P48-P92 WeakPolarHBondContact O-CD 3.27Å; P48-V162 HydrophobicContact CB-CG2 4.21Å; P48-F167 HydrophobicContact CG-CD2 3.51Å; P48-F167 HydrophobicContact CG-CE2 3.94Å; P48-F167 HydrophobicContact CG-CG 4.34Å
49	K	88.4	Confident	89.8	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.017	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131	178.8	-54.6	-55.2	-179.3	-171.1	0	109.4	E44 A47 A68 F89 W90 M91 T161 V162	E44-K49 PolarHBondContact O-NZ 3.43Å; A47-K49 WeakPolarHBondContact O-CD 3.27Å; A47-K49 WeakPolarHBondContact O-CE 3.27Å; A47-K49 PolarHBondContact O-N 3.49Å; K49-A68 HydrophobicContact CD-CB 4.17Å; K49-F89 HydrophobicContact CB-CB 4.32Å; K49-W90 CarbonylContact C-O 3.42Å; K49-W90 WeakPolarHBondContact CA-O 3.46Å; K49-M91 HydrophobicContact CD-CB 4.25Å; K49-M91 PolarHBondContact NZ-SD 2.96Å; K49-M91 VanDerWaalsContact NZ-SD 3.36Å; K49-T161 CarbonylContact O-C 3.55Å; K49-T161 WeakPolarHBondContact O-CA 3.26Å; K49-V162 WeakPolarHBondContact O-CA 3.44Å; K49-V162 WeakPolarHBondContact O-CB 3.13Å; K49-V162 PolarHBondContact O-N 2.8Å
50	Y	88.9	Confident	89.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144	179.6	-70.6	-87.4	0	0	0	110	P48 T52 D55 C56 F60 F89 W90 V162 F167	P48-Y50 HydrophobicContact CB-CE2 3.86Å; Y50-T52 VanDerWaalsContact C-N 3.33Å; Y50-D55 HydrophobicContact CD1-CB 3.68Å; Y50-D55 HydrophobicContact CE1-CB 4.45Å; Y50-D55 HydrophobicContact CG-CB 4.42Å; Y50-C56 HydrophobicContact CD1-CB 4.5Å; Y50-C56 HydrophobicContact CD2-CB 3.69Å; Y50-C56 HydrophobicContact CE2-CB 4.34Å; Y50-C56 HydrophobicContact CG-CB 3.79Å; Y50-F60 HydrophobicContact CE2-CD2 4.05Å; Y50-F60 AromaticContact CE2-CE2 3.59Å; Y50-F60 HydrophobicContact CE2-CE2 3.59Å; Y50-F60 AromaticContact CZ-CE2 3.78Å; Y50-F60 VanDerWaalsContact OH-CE2 3.27Å; Y50-F60 WeakPolarHBondContact OH-CE2 3.44Å; Y50-F89 WeakPolarHBondContact O-CA 3.46Å; Y50-W90 PolarHBondContact N-O 3.15Å; Y50-W90 PolarHBondContact O-N 2.74Å; Y50-V162 HydrophobicContact CD1-CB 4.48Å; Y50-V162 HydrophobicContact CD1-CG1 4.49Å; Y50-V162 WeakPolarHBondContact CD1-O 3.38Å; Y50-V162 HydrophobicContact CE1-CB 4.23Å; Y50-V162 HydrophobicContact CE1-CG1 3.84Å; Y50-F167 WeakPolarHBondContact OH-CB 3.09Å
51	A	86.9	Confident	90	Very high	48 Å²	48	38.3 Å²	38.3	40%	0.397	20%	0.195	S	C	.	.	S	Bend	trans	-67.8	-36.5	177.3	0	0	0	0	0	111.7	T161	A51-T161 HydrophobicContact CB-CG2 3.96Å
52	T	88.8	Confident	90.1	Very high	51 Å²	51	40.1 Å²	40.1	31%	0.313	21%	0.205	S	C	.	.	S	Bend	trans	-126.9	157.4	-176.1	71.8	0	0	0	0	111.4	Y50 E54 D55 C56 W90	Y50-T52 VanDerWaalsContact C-N 3.33Å; T52-E54 WeakPolarHBondContact CB-OE2 3.37Å; T52-E54 PolarHBondContact O-N 3.29Å; T52-D55 WeakPolarHBondContact OG1-CB 3.47Å; T52-D55 PolarHBondContact OG1-N 3.16Å; T52-D55 VanDerWaalsContact OG1-N 3.09Å; T52-D55 PolarHBondContact OG1-OD2 3.28Å; T52-C56 PolarHBondContact O-N 3.35Å; T52-W90 VanDerWaalsContact C-CD1 3.45Å
53	R	89.9	Confident	90.2	Very high	112 Å²	112	40.6 Å²	40.6	42%	0.423	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-38.2	174.1	-174.9	179.9	171.7	-132.3	-1.6	110	D55 C56 V57 W90	R53-D55 VanDerWaalsContact C-N 3.34Å; R53-D55 PolarHBondContact O-N 2.88Å; R53-C56 PolarHBondContact O-N 2.87Å; R53-V57 HydrophobicContact CG-CG2 3.97Å; R53-V57 WeakPolarHBondContact O-CB 3.33Å; R53-V57 VanDerWaalsContact O-CG2 3.32Å; R53-V57 WeakPolarHBondContact O-CG2 3.48Å; R53-V57 PolarHBondContact O-N 2.82Å; R53-W90 HydrophobicContact CB-CD2 3.65Å; R53-W90 HydrophobicContact CB-CE3 4.04Å; R53-W90 HydrophobicContact CB-CG 4.11Å; R53-W90 HydrophobicContact CB-CH2 4.18Å; R53-W90 HydrophobicContact CB-CZ2 3.81Å; R53-W90 HydrophobicContact CB-CZ3 4.29Å; R53-W90 HydrophobicContact CG-CD2 3.99Å; R53-W90 HydrophobicContact CG-CE3 3.81Å; R53-W90 HydrophobicContact CG-CH2 3.97Å; R53-W90 HydrophobicContact CG-CZ2 4.13Å; R53-W90 HydrophobicContact CG-CZ3 3.81Å; R53-W90 VanDerWaalsContact N-CD1 3.29Å
54	E	90.9	Very high	90.2	Very high	127 Å²	127	43.6 Å²	43.6	59%	0.593	24%	0.235	S	C	*	.	H	α-helix	trans	-61.6	-42.3	-176.7	-65.7	65.9	-144.4	0	0	110.8	T52 V57 A58	T52-E54 WeakPolarHBondContact CB-OE2 3.37Å; T52-E54 PolarHBondContact O-N 3.29Å; E54-V57 PolarHBondContact O-N 2.79Å; E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 3.13Å
55	D	91	Very high	90.4	Very high	32 Å²	32	40.4 Å²	40.4	17%	0.171	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-40	176.2	-68.2	-42.1	0	0	0	112.2	Y50 T52 R53 E59 R164	Y50-D55 HydrophobicContact CD1-CB 3.68Å; Y50-D55 HydrophobicContact CE1-CB 4.45Å; Y50-D55 HydrophobicContact CG-CB 4.42Å; T52-D55 WeakPolarHBondContact OG1-CB 3.47Å; T52-D55 PolarHBondContact OG1-N 3.16Å; T52-D55 VanDerWaalsContact OG1-N 3.09Å; T52-D55 PolarHBondContact OG1-OD2 3.28Å; R53-D55 VanDerWaalsContact C-N 3.34Å; R53-D55 PolarHBondContact O-N 2.88Å; D55-E59 PolarHBondContact O-N 3.04Å; D55-R164 WeakPolarHBondContact OD1-CB 3.16Å
56	C	92.6	Very high	90.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.8	-49.2	175.2	179.2	0	0	0	0	111	Y50 T52 R53 A58 E59 F60 C65 W90	Y50-C56 HydrophobicContact CD1-CB 4.5Å; Y50-C56 HydrophobicContact CD2-CB 3.69Å; Y50-C56 HydrophobicContact CE2-CB 4.34Å; Y50-C56 HydrophobicContact CG-CB 3.79Å; T52-C56 PolarHBondContact O-N 3.35Å; R53-C56 PolarHBondContact O-N 2.87Å; C56-A58 VanDerWaalsContact C-N 3.29Å; C56-A58 PolarHBondContact O-N 3.17Å; C56-E59 PolarHBondContact O-N 3.27Å; C56-F60 PolarHBondContact O-N 3.31Å; C56-C65 HydrophobicContact CB-CB 3.81Å; C56-C65 WeakPolarHBondContact CB-SG 3.49Å; C56-C65 PolarHBondContact O-SG 3.46Å; C56-C65 WeakPolarHBondContact SG-CB 3.42Å; C56-C65 CovalentContact SG-SG 2.03Å; C56-C65 PolarHBondContact SG-SG 3.31Å; C56-W90 HydrophobicContact CB-CB 4.14Å
57	V	93.2	Very high	90.8	Very high	32 Å²	32	45 Å²	45	19%	0.194	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-35.8	-178.8	166.8	0	0	0	0	110.9	R53 E54 E59 G61 E62 C65	R53-V57 HydrophobicContact CG-CG2 3.97Å; R53-V57 WeakPolarHBondContact O-CB 3.33Å; R53-V57 VanDerWaalsContact O-CG2 3.32Å; R53-V57 WeakPolarHBondContact O-CG2 3.48Å; R53-V57 PolarHBondContact O-N 2.82Å; E54-V57 PolarHBondContact O-N 2.79Å; V57-E59 PolarHBondContact O-N 3.11Å; V57-G61 WeakPolarHBondContact O-CA 3.45Å; V57-G61 PolarHBondContact O-N 2.96Å; V57-E62 HydrophobicContact CG1-CG 3.77Å; V57-C65 HydrophobicContact CG2-CB 4.07Å; V57-C65 PolarHBondContact N-SG 3.07Å
58	A	92.2	Very high	90.6	Very high	34 Å²	34	45.3 Å²	45.3	28%	0.281	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-31.2	174.4	0	0	0	0	0	112.5	E54 C56 N119	E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 3.13Å; C56-A58 VanDerWaalsContact C-N 3.29Å; C56-A58 PolarHBondContact O-N 3.17Å; A58-N119 WeakPolarHBondContact O-CB 3.23Å
59	E	92	Very high	90	Very high	3 Å²	3	48 Å²	48	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-90.5	-45.1	178.7	-171.9	59.8	-154.6	0	0	112.8	D55 C56 V57 S117 K118 N119 S122 F167	D55-E59 PolarHBondContact O-N 3.04Å; C56-E59 PolarHBondContact O-N 3.27Å; V57-E59 PolarHBondContact O-N 3.11Å; E59-S117 CarbonylContact O-C 3.39Å; E59-S117 WeakPolarHBondContact O-CA 3.1Å; E59-S117 PolarHBondContact O-OG 2.7Å; E59-S117 VanDerWaalsContact OE1-CB 3.26Å; E59-S117 WeakPolarHBondContact OE1-CB 3.33Å; E59-S117 PolarHBondContact OE1-OG 2.73Å; E59-K118 PolarHBondContact O-N 3.24Å; E59-N119 PolarHBondContact O-N 3.45Å; E59-N119 PolarHBondContact OE2-ND2 2.94Å; E59-S122 WeakPolarHBondContact OE1-CB 3.15Å; E59-S122 PolarHBondContact OE1-OG 2.78Å; E59-F167 HydrophobicContact CG-CB 4.14Å; E59-F167 HydrophobicContact CG-CD1 4.29Å
60	F	94.1	Very high	89	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-107.3	-9.5	-169.4	-68.3	-79.1	0	0	0	114.6	Y50 C56 Q64 P92 F115 S116 K118 F167	Y50-F60 HydrophobicContact CE2-CD2 4.05Å; Y50-F60 AromaticContact CE2-CE2 3.59Å; Y50-F60 HydrophobicContact CE2-CE2 3.59Å; Y50-F60 AromaticContact CZ-CE2 3.78Å; Y50-F60 VanDerWaalsContact OH-CE2 3.27Å; Y50-F60 WeakPolarHBondContact OH-CE2 3.44Å; C56-F60 PolarHBondContact O-N 3.31Å; F60-Q64 HydrophobicContact CB-CB 3.94Å; F60-Q64 VanDerWaalsContact O-CB 3.27Å; F60-Q64 WeakPolarHBondContact O-CB 3.16Å; F60-Q64 VanDerWaalsContact O-CG 3.29Å; F60-Q64 WeakPolarHBondContact O-CG 3.11Å; F60-P92 HydrophobicContact CB-CB 4.26Å; F60-P92 HydrophobicContact CD1-CB 3.73Å; F60-P92 HydrophobicContact CD1-CG 4.45Å; F60-P92 HydrophobicContact CD2-CB 3.57Å; F60-P92 HydrophobicContact CD2-CG 4.05Å; F60-P92 HydrophobicContact CE1-CB 3.92Å; F60-P92 HydrophobicContact CE1-CG 4.15Å; F60-P92 HydrophobicContact CE2-CB 3.71Å; F60-P92 HydrophobicContact CE2-CG 3.66Å; F60-P92 HydrophobicContact CG-CB 3.56Å; F60-P92 HydrophobicContact CG-CG 4.42Å; F60-P92 HydrophobicContact CZ-CB 3.89Å; F60-P92 HydrophobicContact CZ-CG 3.72Å; F60-F115 HydrophobicContact CE1-CB 3.79Å; F60-F115 HydrophobicContact CZ-CB 4.39Å; F60-S116 WeakPolarHBondContact CD1-O 3.34Å; F60-K118 WeakPolarHBondContact O-CB 3.5Å; F60-K118 WeakPolarHBondContact O-CG 3.49Å; F60-F167 AromaticContact CE1-CD1 3.91Å; F60-F167 HydrophobicContact CE1-CD1 3.91Å; F60-F167 AromaticContact CE1-CE1 3.72Å; F60-F167 HydrophobicContact CE1-CE1 3.72Å; F60-F167 HydrophobicContact CE1-CZ 4.19Å; F60-F167 HydrophobicContact CE2-CB 4.47Å; F60-F167 HydrophobicContact CE2-CD1 4.38Å; F60-F167 HydrophobicContact CE2-CG 4.39Å; F60-F167 HydrophobicContact CZ-CB 4.22Å; F60-F167 AromaticContact CZ-CD1 3.48Å; F60-F167 HydrophobicContact CZ-CD1 3.48Å; F60-F167 VanDerWaalsContact CZ-CD1 3.48Å; F60-F167 HydrophobicContact CZ-CD2 4.13Å; F60-F167 AromaticContact CZ-CE1 3.7Å; F60-F167 HydrophobicContact CZ-CE1 3.7Å; F60-F167 HydrophobicContact CZ-CE2 4.32Å; F60-F167 AromaticContact CZ-CG 3.68Å; F60-F167 HydrophobicContact CZ-CG 3.68Å; F60-F167 HydrophobicContact CZ-CZ 4.09Å
61	G	92.4	Very high	87.7	Confident	18 Å²	18	60.2 Å²	60.2	19%	0.186	34%	0.34	C	S	.	.			trans	89.3	168.2	-179.6	0	0	0	0	0	114.2	V57 Q64	V57-G61 WeakPolarHBondContact O-CA 3.45Å; V57-G61 PolarHBondContact O-N 2.96Å; G61-Q64 PolarHBondContact O-N 2.96Å
62	E	91.1	Very high	86.3	Confident	170 Å²	170	58.8 Å²	58.8	79%	0.794	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	139.7	178.6	-66.4	-170	148.9	0	0	111.4	V57 Q64	V57-E62 HydrophobicContact CG1-CG 3.77Å; E62-Q64 PolarHBondContact O-N 2.86Å
63	G	90.3	Very high	84.6	Confident	50 Å²	50	58 Å²	58	52%	0.515	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	-3.7	-178.7	0	0	0	0	0	114.9	L93	G63-L93 WeakPolarHBondContact O-CD1 3.43Å
64	Q	92	Very high	82.6	Confident	66 Å²	66	60.4 Å²	60.4	31%	0.308	35%	0.348	S	S	.	.	S	Bend	trans	-97.8	15.1	176.4	-61.9	-58.4	-53	0	0	113	F60 G61 E62 P92 L93	F60-Q64 HydrophobicContact CB-CB 3.94Å; F60-Q64 VanDerWaalsContact O-CB 3.27Å; F60-Q64 WeakPolarHBondContact O-CB 3.16Å; F60-Q64 VanDerWaalsContact O-CG 3.29Å; F60-Q64 WeakPolarHBondContact O-CG 3.11Å; G61-Q64 PolarHBondContact O-N 2.96Å; E62-Q64 PolarHBondContact O-N 2.86Å; Q64-P92 CarbonylContact O-C 3.53Å; Q64-P92 WeakPolarHBondContact O-CA 3.27Å; Q64-L93 PolarHBondContact O-N 3.31Å
65	C	92.9	Very high	80.7	Confident	15 Å²	15	56.1 Å²	56.1	10%	0.101	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.9	-176.6	-66.4	0	0	0	0	110.7	C56 V57 W90 M91	C56-C65 HydrophobicContact CB-CB 3.81Å; C56-C65 WeakPolarHBondContact CB-SG 3.49Å; C56-C65 PolarHBondContact O-SG 3.46Å; C56-C65 WeakPolarHBondContact SG-CB 3.42Å; C56-C65 CovalentContact SG-SG 2.03Å; C56-C65 PolarHBondContact SG-SG 3.31Å; V57-C65 HydrophobicContact CG2-CB 4.07Å; V57-C65 PolarHBondContact N-SG 3.07Å; C65-W90 HydrophobicContact CB-CE3 4.24Å; C65-M91 WeakPolarHBondContact CA-O 3.06Å
66	Q	92	Very high	78.6	Confident	71 Å²	71	60 Å²	60	33%	0.332	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	160.8	176.8	65.9	176.8	-33.6	0	0	110.8	W90 M91 L93	Q66-W90 VanDerWaalsContact C-CE3 3.43Å; Q66-W90 CarbonylContact O-C 3.54Å; Q66-W90 WeakPolarHBondContact O-CA 3.02Å; Q66-M91 HydrophobicContact CG-CG 3.7Å; Q66-M91 PolarHBondContact N-O 3.36Å; Q66-M91 PolarHBondContact O-N 3.25Å; Q66-L93 HydrophobicContact CB-CD2 3.93Å; Q66-L93 VanDerWaalsContact CD-CD2 3.44Å; Q66-L93 HydrophobicContact CG-CD2 3.73Å
67	Q	89.7	Confident	76.6	Confident	105 Å²	105	68.7 Å²	68.7	49%	0.491	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.5	170.5	-69.1	-176.7	20	0	0	109.6	S88 F89 W90	Q67-S88 PolarHBondContact OE1-OG 3.47Å; Q67-F89 CarbonylContact C-O 3.43Å; Q67-F89 WeakPolarHBondContact CA-O 3.5Å; Q67-W90 HydrophobicContact CG-CD2 4.07Å; Q67-W90 HydrophobicContact CG-CE3 4.13Å; Q67-W90 HydrophobicContact CG-CH2 3.71Å; Q67-W90 HydrophobicContact CG-CZ2 3.62Å; Q67-W90 HydrophobicContact CG-CZ3 3.97Å
68	A	84.7	Confident	74.3	Confident	8 Å²	8	70.7 Å²	70.7	7%	0.066	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-70.1	142.7	172	0	0	0	0	0	109.7	K49 A72 F89 M91	K49-A68 HydrophobicContact CD-CB 4.17Å; A68-A72 HydrophobicContact CB-CB 4.36Å; A68-F89 HydrophobicContact CB-CB 4.17Å; A68-F89 PolarHBondContact N-O 2.99Å; A68-M91 HydrophobicContact CB-CB 4.3Å; A68-M91 HydrophobicContact CB-CG 3.85Å; A68-M91 HydrophobicContact CB-SD 3.76Å
69	P	75.6	Confident	72	Confident	59 Å²	59	76.7 Å²	76.7	38%	0.383	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-63.7	146.4	174.2	26.5	-32	0	0	0	109.8	Q71 A72	P69-Q71 PolarHBondContact O-N 2.85Å; P69-A72 HydrophobicContact CG-CB 4.05Å; P69-A72 WeakPolarHBondContact O-CB 3.5Å; P69-A72 PolarHBondContact O-N 3.32Å
70	A	67.4	Low	69.9	Low	98 Å²	98	81 Å²	81	81%	0.81	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-53.3	-25.9	-175.8	0	0	0	0	0	114
71	Q	62.1	Low	67.6	Low	164 Å²	164	89.1 Å²	89.1	77%	0.766	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-79.4	-19.7	-179.9	-64.3	173.7	-8	0	0	113.7	P69 G73 M74	P69-Q71 PolarHBondContact O-N 2.85Å; Q71-G73 PolarHBondContact O-N 2.9Å; Q71-G73 VanDerWaalsContact O-N 3.17Å; Q71-M74 PolarHBondContact O-N 2.79Å
72	A	58.3	Low	65.3	Low	17 Å²	17	91.4 Å²	91.4	14%	0.14	53%	0.525	C	S	.	.	G	3₁₀ helix	trans	-69.2	-13.1	-175.4	0	0	0	0	0	114	E44 A68 P69	E44-A72 WeakPolarHBondContact O-CB 3.46Å; A68-A72 HydrophobicContact CB-CB 4.36Å; P69-A72 HydrophobicContact CG-CB 4.05Å; P69-A72 WeakPolarHBondContact O-CB 3.5Å; P69-A72 PolarHBondContact O-N 3.32Å
73	G	51.9	Low	63	Low	34 Å²	34	91.9 Å²	91.9	35%	0.351	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-103.3	1.9	178	0	0	0	0	0	115	Q71 A75	Q71-G73 PolarHBondContact O-N 2.9Å; Q71-G73 VanDerWaalsContact O-N 3.17Å; G73-A75 PolarHBondContact O-N 2.63Å; G73-A75 VanDerWaalsContact O-N 3.12Å
74	M	48.7	Very low	61	Low	163 Å²	163	98.3 Å²	98.3	80%	0.803	54%	0.544	S	S	*	.			trans	-88.4	78.2	-173.3	-64.5	-107.5	-90.3	0	0	111.1	Q71	Q71-M74 PolarHBondContact O-N 2.79Å
75	A	49.8	Very low	58.9	Low	38 Å²	38	97.7 Å²	97.7	31%	0.314	55%	0.547	S	S	.	.			trans	-107.1	135.1	154.8	0	0	0	0	0	109	G73 E77 T159	G73-A75 PolarHBondContact O-N 2.63Å; G73-A75 VanDerWaalsContact O-N 3.12Å; A75-E77 PolarHBondContact O-N 3.06Å; A75-E77 VanDerWaalsContact O-N 3.07Å; A75-T159 HydrophobicContact CB-CG2 3.29Å
76	P	46.6	Very low	56.8	Low	112 Å²	112	103.6 Å²	103.6	73%	0.727	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-16.1	-170.6	-22.6	32.7	0	0	0	116.2
77	E	51.5	Low	55.2	Low	183 Å²	183	102 Å²	102	86%	0.855	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-15.9	-165.6	-76.8	170.3	117	0	0	115.5	A75	A75-E77 PolarHBondContact O-N 3.06Å; A75-E77 VanDerWaalsContact O-N 3.07Å
78	N	44.6	Very low	54.5	Low	74 Å²	74	100.2 Å²	100.2	40%	0.396	59%	0.59	S	S	.	*			trans	-103.7	49	178.9	-81.7	-27.9	0	0	0	112.9	A80 T159	N78-A80 PolarHBondContact O-N 2.61Å; N78-T159 PolarHBondContact ND2-O 2.8Å
79	Q	45	Very low	54.5	Low	160 Å²	160	102.4 Å²	102.4	75%	0.748	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-24.2	172.8	-71.5	-174.5	-30.1	0	0	113.2	Q81	Q79-Q81 PolarHBondContact O-N 2.97Å
80	A	47.3	Very low	55.3	Low	94 Å²	94	101.9 Å²	101.9	78%	0.777	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-21.6	-173.7	0	0	0	0	0	114.6	N78	N78-A80 PolarHBondContact O-N 2.61Å
81	Q	45	Very low	56.4	Low	173 Å²	173	97.2 Å²	97.2	81%	0.808	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	-4	-179.4	-134.8	156.1	-14.5	0	0	113.3	Q79 Q83	Q79-Q81 PolarHBondContact O-N 2.97Å; Q81-Q83 PolarHBondContact O-N 3.23Å
82	A	45	Very low	57.9	Low	66 Å²	66	89.5 Å²	89.5	55%	0.545	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-69.2	-15.2	174	0	0	0	0	0	113.5	Q84	A82-Q84 VanDerWaalsContact C-N 3.31Å; A82-Q84 PolarHBondContact O-N 2.84Å
83	Q	43.6	Very low	59.6	Low	179 Å²	179	91.5 Å²	91.5	84%	0.836	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-69.2	-19.2	-176.3	-77.3	-169.7	-43.4	0	0	115	Q81	Q81-Q83 PolarHBondContact O-N 3.23Å
84	Q	46.6	Very low	61.6	Low	186 Å²	186	91 Å²	91	87%	0.869	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-106.1	1.1	-176.2	-69.5	-155.2	-55.7	0	0	115.7	A82	A82-Q84 VanDerWaalsContact C-N 3.31Å; A82-Q84 PolarHBondContact O-N 2.84Å
85	S	48.1	Very low	63.8	Low	52 Å²	52	84.4 Å²	84.4	36%	0.364	48%	0.482	S	S	.	.			trans	-138.2	83.3	171.9	-89.6	0	0	0	0	111.2	G87	S85-G87 PolarHBondContact O-N 2.85Å
86	S	49.6	Very low	65.9	Low	140 Å²	140	82.6 Å²	82.6	98%	0.979	47%	0.467	S	S	*	.			trans	-64.7	27.6	145.8	59.9	0	0	0	0	112.2
87	G	57.8	Low	68.1	Low	37 Å²	37	77.2 Å²	77.2	38%	0.381	43%	0.432	S	S	.	.	S	Bend	trans	-123.9	138.1	-170.6	0	0	0	0	0	110.6	S85 F89	S85-G87 PolarHBondContact O-N 2.85Å; G87-F89 PolarHBondContact O-N 3.22Å
88	S	74.7	Confident	70	Confident	68 Å²	68	68.5 Å²	68.5	48%	0.476	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-50.5	120.9	177.4	-45.2	0	0	0	0	111.1	Q67	Q67-S88 PolarHBondContact OE1-OG 3.47Å
89	F	86.6	Confident	72	Confident	53 Å²	53	66 Å²	66	23%	0.232	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-67.5	153.7	170.5	-60.6	-73.9	0	0	0	110.2	K49 Y50 Q67 A68 G87 T161	K49-F89 HydrophobicContact CB-CB 4.32Å; Y50-F89 WeakPolarHBondContact O-CA 3.46Å; Q67-F89 CarbonylContact C-O 3.43Å; Q67-F89 WeakPolarHBondContact CA-O 3.5Å; A68-F89 HydrophobicContact CB-CB 4.17Å; A68-F89 PolarHBondContact N-O 2.99Å; G87-F89 PolarHBondContact O-N 3.22Å; F89-T161 HydrophobicContact CD1-CG2 4.23Å; F89-T161 HydrophobicContact CE1-CG2 4.31Å; F89-T161 WeakPolarHBondContact CE1-OG1 3.08Å
90	W	90.4	Very high	73.8	Confident	49 Å²	49	59.3 Å²	59.3	19%	0.186	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.5	171.3	-69.5	82.4	0	0	0	110.1	K49 Y50 T52 R53 C56 C65 Q66 Q67	K49-W90 CarbonylContact C-O 3.42Å; K49-W90 WeakPolarHBondContact CA-O 3.46Å; Y50-W90 PolarHBondContact N-O 3.15Å; Y50-W90 PolarHBondContact O-N 2.74Å; T52-W90 VanDerWaalsContact C-CD1 3.45Å; R53-W90 HydrophobicContact CB-CD2 3.65Å; R53-W90 HydrophobicContact CB-CE3 4.04Å; R53-W90 HydrophobicContact CB-CG 4.11Å; R53-W90 HydrophobicContact CB-CH2 4.18Å; R53-W90 HydrophobicContact CB-CZ2 3.81Å; R53-W90 HydrophobicContact CB-CZ3 4.29Å; R53-W90 HydrophobicContact CG-CD2 3.99Å; R53-W90 HydrophobicContact CG-CE3 3.81Å; R53-W90 HydrophobicContact CG-CH2 3.97Å; R53-W90 HydrophobicContact CG-CZ2 4.13Å; R53-W90 HydrophobicContact CG-CZ3 3.81Å; R53-W90 VanDerWaalsContact N-CD1 3.29Å; C56-W90 HydrophobicContact CB-CB 4.14Å; C65-W90 HydrophobicContact CB-CE3 4.24Å; Q66-W90 VanDerWaalsContact C-CE3 3.43Å; Q66-W90 CarbonylContact O-C 3.54Å; Q66-W90 WeakPolarHBondContact O-CA 3.02Å; Q67-W90 HydrophobicContact CG-CD2 4.07Å; Q67-W90 HydrophobicContact CG-CE3 4.13Å; Q67-W90 HydrophobicContact CG-CH2 3.71Å; Q67-W90 HydrophobicContact CG-CZ2 3.62Å; Q67-W90 HydrophobicContact CG-CZ3 3.97Å
91	M	91.9	Very high	74.9	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.6	176.5	57.8	175.3	-81	0	0	110	A43 E44 A47 P48 K49 C65 Q66 A68	A43-M91 WeakPolarHBondContact O-CE 3.43Å; E44-M91 HydrophobicContact CG-CE 4.41Å; A47-M91 HydrophobicContact CB-CB 4.13Å; A47-M91 HydrophobicContact CB-CE 3.6Å; P48-M91 WeakPolarHBondContact O-CA 3.5Å; K49-M91 HydrophobicContact CD-CB 4.25Å; K49-M91 PolarHBondContact NZ-SD 2.96Å; K49-M91 VanDerWaalsContact NZ-SD 3.36Å; C65-M91 WeakPolarHBondContact CA-O 3.06Å; Q66-M91 HydrophobicContact CG-CG 3.7Å; Q66-M91 PolarHBondContact N-O 3.36Å; Q66-M91 PolarHBondContact O-N 3.25Å; A68-M91 HydrophobicContact CB-CB 4.3Å; A68-M91 HydrophobicContact CB-CG 3.85Å; A68-M91 HydrophobicContact CB-SD 3.76Å
92	P	93.5	Very high	75.4	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	148.6	176.4	29	-34.3	0	0	0	111.3	A47 P48 F60 Q64 F115	A47-P92 HydrophobicContact CB-CG 4.34Å; P48-P92 HydrophobicContact CG-CG 4.42Å; P48-P92 WeakPolarHBondContact O-CD 3.27Å; F60-P92 HydrophobicContact CB-CB 4.26Å; F60-P92 HydrophobicContact CD1-CB 3.73Å; F60-P92 HydrophobicContact CD1-CG 4.45Å; F60-P92 HydrophobicContact CD2-CB 3.57Å; F60-P92 HydrophobicContact CD2-CG 4.05Å; F60-P92 HydrophobicContact CE1-CB 3.92Å; F60-P92 HydrophobicContact CE1-CG 4.15Å; F60-P92 HydrophobicContact CE2-CB 3.71Å; F60-P92 HydrophobicContact CE2-CG 3.66Å; F60-P92 HydrophobicContact CG-CB 3.56Å; F60-P92 HydrophobicContact CG-CG 4.42Å; F60-P92 HydrophobicContact CZ-CB 3.89Å; F60-P92 HydrophobicContact CZ-CG 3.72Å; Q64-P92 CarbonylContact O-C 3.53Å; Q64-P92 WeakPolarHBondContact O-CA 3.27Å; P92-F115 HydrophobicContact CB-CD1 4.04Å; P92-F115 HydrophobicContact CG-CD1 3.65Å; P92-F115 HydrophobicContact CG-CE1 3.98Å; P92-F115 HydrophobicContact CG-CG 4.36Å
93	L	93.8	Very high	75.4	Confident	59 Å²	59	65.6 Å²	65.6	31%	0.309	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-67.7	151.8	163.1	-62.9	-175.1	0	0	0	109.6	G63 Q64 Q66 A95 F115	G63-L93 WeakPolarHBondContact O-CD1 3.43Å; Q64-L93 PolarHBondContact O-N 3.31Å; Q66-L93 HydrophobicContact CB-CD2 3.93Å; Q66-L93 VanDerWaalsContact CD-CD2 3.44Å; Q66-L93 HydrophobicContact CG-CD2 3.73Å; L93-A95 PolarHBondContact O-N 2.79Å; L93-F115 WeakPolarHBondContact O-CD1 3.4Å
94	M	94	Very high	75.5	Confident	25 Å²	25	59 Å²	59	12%	0.123	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-67	128.2	169.2	-71.4	169.7	49.3	0	0	109.9	A39 L40 A43 G96 P113 L114 F115	A39-M94 HydrophobicContact CB-CE 3.43Å; A39-M94 VanDerWaalsContact CB-CE 3.43Å; A39-M94 HydrophobicContact CB-SD 4.17Å; L40-M94 VanDerWaalsContact CA-SD 3.57Å; L40-M94 HydrophobicContact CB-SD 4.49Å; L40-M94 HydrophobicContact CD2-SD 3.81Å; L40-M94 HydrophobicContact CG-SD 4.25Å; L40-M94 PolarHBondContact N-SD 2.78Å; A43-M94 HydrophobicContact CB-CG 3.43Å; A43-M94 VanDerWaalsContact CB-CG 3.43Å; A43-M94 HydrophobicContact CB-SD 3.45Å; A43-M94 WeakPolarHBondContact CB-SD 3.45Å; M94-G96 VanDerWaalsContact C-N 3.28Å; M94-G96 VanDerWaalsContact CE-O 3.27Å; M94-G96 WeakPolarHBondContact CE-O 3.47Å; M94-P113 HydrophobicContact CE-CB 3.97Å; M94-P113 HydrophobicContact CG-CB 3.71Å; M94-P113 HydrophobicContact SD-CB 3.67Å; M94-L114 CarbonylContact C-O 3.59Å; M94-L114 WeakPolarHBondContact CA-O 3.33Å; M94-F115 HydrophobicContact CG-CE1 4.15Å; M94-F115 HydrophobicContact CG-CZ 4.5Å
95	A	94	Very high	75.4	Confident	23 Å²	23	54.3 Å²	54.3	19%	0.19	33%	0.332	C	S	.	.	S	Bend	trans	-81	-14.4	169.7	0	0	0	0	0	112.1	L93 L114 Y128	L93-A95 PolarHBondContact O-N 2.79Å; A95-L114 PolarHBondContact N-O 3.07Å; A95-Y128 HydrophobicContact CB-CD1 4.43Å; A95-Y128 HydrophobicContact CB-CE1 4.02Å; A95-Y128 WeakPolarHBondContact O-CE1 3.41Å; A95-Y128 PolarHBondContact O-OH 3.22Å
96	G	94.5	Very high	75.1	Confident	0 Å²	0	54 Å²	54	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174	-171.3	176.8	0	0	0	0	0	111.5	Y15 M94 L114	Y15-G96 CarbonylContact O-C 3.5Å; Y15-G96 WeakPolarHBondContact O-CA 3.42Å; M94-G96 VanDerWaalsContact C-N 3.28Å; M94-G96 VanDerWaalsContact CE-O 3.27Å; M94-G96 WeakPolarHBondContact CE-O 3.47Å; G96-L114 PolarHBondContact N-O 3.42Å; G96-L114 WeakPolarHBondContact O-CA 3.47Å; G96-L114 WeakPolarHBondContact O-CB 3.32Å; G96-L114 PolarHBondContact O-N 3.37Å
97	Y	93.3	Very high	74.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.2	174.7	68	-74.2	0	0	0	111.1	Y15 C21 C32 A35 Y36 A39 M99 Q112	Y15-Y97 HydrophobicContact CD2-CE2 4.21Å; Y15-Y97 PolarHBondContact N-O 2.78Å; Y15-Y97 WeakPolarHBondContact O-CD1 3.21Å; Y15-Y97 PolarHBondContact O-N 2.83Å; C21-Y97 WeakPolarHBondContact CB-OH 3.25Å; C21-Y97 PolarHBondContact SG-OH 2.79Å; C21-Y97 VanDerWaalsContact SG-OH 3.35Å; C32-Y97 PolarHBondContact O-OH 2.04Å; A35-Y97 HydrophobicContact CB-CD2 4.36Å; A35-Y97 HydrophobicContact CB-CE2 3.78Å; Y36-Y97 AromaticContact CD2-CD1 3.85Å; Y36-Y97 HydrophobicContact CD2-CD1 3.85Å; Y36-Y97 AromaticContact CD2-CE1 3.76Å; Y36-Y97 HydrophobicContact CD2-CE1 3.76Å; Y36-Y97 HydrophobicContact CG-CE1 4.44Å; A39-Y97 HydrophobicContact CB-CG 4.29Å; Y97-M99 HydrophobicContact CD2-CB 4.43Å; Y97-M99 HydrophobicContact CE2-CB 4.12Å; Y97-M99 HydrophobicContact CE2-CE 4.21Å; Y97-Q112 VanDerWaalsContact CA-O 3.27Å; Y97-Q112 WeakPolarHBondContact CA-O 3.38Å
98	M	90.6	Very high	74.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.5	168.9	-71.5	174.9	-65	0	0	109.4	V12 S13 L14 Q111 Q112 L114 Y136 M152	V12-M98 HydrophobicContact CB-CB 4.3Å; V12-M98 HydrophobicContact CG2-CB 4.49Å; V12-M98 HydrophobicContact CG2-CG 4.3Å; V12-M98 HydrophobicContact CG2-SD 4.2Å; S13-M98 WeakPolarHBondContact O-CA 3.4Å; L14-M98 HydrophobicContact CD2-CG 3.39Å; L14-M98 HydrophobicContact CD2-SD 4.21Å; L14-M98 HydrophobicContact CG-CG 4.5Å; M98-Q111 VanDerWaalsContact O-CA 3.27Å; M98-Q111 WeakPolarHBondContact O-CA 3.43Å; M98-Q112 HydrophobicContact CB-CB 4.41Å; M98-Q112 HydrophobicContact CE-CB 3.41Å; M98-Q112 VanDerWaalsContact CE-CB 3.41Å; M98-Q112 HydrophobicContact CE-CG 4.19Å; M98-Q112 PolarHBondContact N-O 3.33Å; M98-Q112 PolarHBondContact O-N 3.39Å; M98-L114 HydrophobicContact CE-CD2 3.57Å; M98-L114 HydrophobicContact CE-CG 4.16Å; M98-L114 HydrophobicContact CG-CD1 3.61Å; M98-L114 HydrophobicContact CG-CD2 4.34Å; M98-L114 HydrophobicContact CG-CG 4.12Å; M98-L114 HydrophobicContact SD-CD1 4.34Å; M98-L114 HydrophobicContact SD-CD2 4.14Å; M98-Y136 HydrophobicContact CE-CD1 4.28Å; M98-Y136 HydrophobicContact CE-CD2 4.3Å; M98-Y136 HydrophobicContact CE-CE1 3.74Å; M98-Y136 HydrophobicContact CE-CE2 3.8Å; M98-Y136 VanDerWaalsContact CE-CZ 3.45Å; M98-Y136 HydrophobicContact SD-CD1 3.47Å; M98-Y136 WeakPolarHBondContact SD-CD1 3.45Å; M98-Y136 HydrophobicContact SD-CD2 4.3Å; M98-Y136 HydrophobicContact SD-CE1 3.37Å; M98-Y136 WeakPolarHBondContact SD-CE1 3.13Å; M98-Y136 HydrophobicContact SD-CE2 4.24Å; M98-Y136 HydrophobicContact SD-CG 3.95Å; M98-M152 HydrophobicContact CB-CE 4.22Å; M98-M152 HydrophobicContact CB-SD 4.28Å
99	M	87.5	Confident	73.5	Confident	22 Å²	22	54.5 Å²	54.5	11%	0.108	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.1	168.8	-179	-169.7	-85.4	0	0	109.2	V12 S13 Y15 C21 C32 A35 Y97	V12-M99 CarbonylContact C-O 3.58Å; V12-M99 WeakPolarHBondContact CA-O 3.39Å; S13-M99 PolarHBondContact N-O 3.32Å; S13-M99 PolarHBondContact O-N 3.48Å; Y15-M99 HydrophobicContact CD2-CB 4.05Å; Y15-M99 HydrophobicContact CE2-CB 3.94Å; Y15-M99 HydrophobicContact CE2-SD 4.14Å; C21-M99 WeakPolarHBondContact SG-CE 3.03Å; C32-M99 HydrophobicContact CB-CE 4.38Å; A35-M99 HydrophobicContact CB-CE 3.4Å; Y97-M99 HydrophobicContact CD2-CB 4.43Å; Y97-M99 HydrophobicContact CE2-CB 4.12Å; Y97-M99 HydrophobicContact CE2-CE 4.21Å
100	G	82.4	Confident	72.8	Confident	19 Å²	19	53.6 Å²	53.6	20%	0.196	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	142.4	172.4	0	0	0	0	0	112.5	L102	G100-L102 PolarHBondContact O-N 3.37Å; G100-L102 VanDerWaalsContact O-N 3.12Å
101	R	69.6	Low	72.4	Confident	185 Å²	185	52.2 Å²	52.2	70%	0.698	34%	0.337	S	S	*	.			trans	-72.8	102.7	167.1	-165.5	176.7	-167.5	-175.4	3.6	107.6	T11 M103	T11-R101 PolarHBondContact O-N 2.63Å; R101-M103 PolarHBondContact O-N 2.77Å
102	L	56	Low	72.2	Confident	115 Å²	115	52.3 Å²	52.3	60%	0.602	34%	0.338	S	S	*	.			trans	-60.3	79.4	177.7	-165.5	78.2	0	0	0	111	G100	G100-L102 PolarHBondContact O-N 3.37Å; G100-L102 VanDerWaalsContact O-N 3.12Å
103	M	45.3	Very low	72.2	Confident	164 Å²	164	52.3 Å²	52.3	81%	0.808	34%	0.337	S	S	*	.			trans	-118.3	6.1	171	-106.4	-168	172.1	0	0	112.4	R101	R101-M103 PolarHBondContact O-N 2.77Å
104	G	46.3	Very low	72.2	Confident	40 Å²	40	49.5 Å²	49.5	41%	0.412	32%	0.323	S	S	.	.	S	Bend	trans	-126.6	43.1	-171.2	0	0	0	0	0	115.6	G106	G104-G106 PolarHBondContact O-N 3.08Å
105	G	43.5	Very low	72.2	Confident	88 Å²	88	48.3 Å²	48.3	91%	0.907	32%	0.317	S	S	*	.			trans	57.9	3.1	156.6	0	0	0	0	0	120
106	G	42	Very low	72.2	Confident	46 Å²	46	47.5 Å²	47.5	47%	0.474	31%	0.31	S	S	.	.			trans	-89.6	126.1	176.1	0	0	0	0	0	111.1	G104 G108	G104-G106 PolarHBondContact O-N 3.08Å; G106-G108 PolarHBondContact O-N 3.03Å
107	A	44.7	Very low	72.1	Confident	123 Å²	123	47.5 Å²	47.5	100%	1.017	31%	0.31	S	S	*	.	S	Bend	trans	-71.7	42.6	-169.8	0	0	0	0	0	116.1
108	G	49.4	Very low	72.1	Confident	47 Å²	47	53 Å²	53	49%	0.485	33%	0.334	S	S	.	.	S	Bend	trans	-161	137	174.3	0	0	0	0	0	111.3	G106 A110	G106-G108 PolarHBondContact O-N 3.03Å; G108-A110 PolarHBondContact O-N 2.86Å
109	F	54.4	Low	72.1	Confident	86 Å²	86	55 Å²	55	38%	0.377	35%	0.345	S	S	.	.			trans	-56.1	108.5	162.7	-63.1	-83.2	0	0	0	107.1	E31 T34 Q111	E31-F109 HydrophobicContact CB-CE1 4.14Å; E31-F109 HydrophobicContact CG-CE1 4.1Å; E31-F109 HydrophobicContact CG-CZ 4.16Å; T34-F109 HydrophobicContact CG2-CD2 4.3Å; T34-F109 HydrophobicContact CG2-CE2 4.25Å; F109-Q111 PolarHBondContact O-N 2.83Å; F109-Q111 PolarHBondContact O-NE2 3.09Å; F109-Q111 PolarHBondContact O-OE1 3Å
110	A	71.1	Confident	72.2	Confident	33 Å²	33	58.8 Å²	58.8	27%	0.273	37%	0.371	S	S	.	.			trans	-81	98	169.3	0	0	0	0	0	104.6	G108 M152	G108-A110 PolarHBondContact O-N 2.86Å; A110-M152 HydrophobicContact CB-CB 3.63Å; A110-M152 HydrophobicContact CB-CE 3.99Å; A110-M152 WeakPolarHBondContact O-CE 3.29Å
111	Q	82.3	Confident	72.5	Confident	21 Å²	21	62.2 Å²	62.2	10%	0.098	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.3	170	62.2	-79.3	-50.4	0	0	108.4	A35 N38 A39 M98 F109	A35-Q111 HydrophobicContact CB-CB 4.39Å; A35-Q111 WeakPolarHBondContact O-CG 3.44Å; N38-Q111 HydrophobicContact CB-CG 3.68Å; A39-Q111 HydrophobicContact CB-CB 4.17Å; A39-Q111 HydrophobicContact CB-CG 3.84Å; M98-Q111 VanDerWaalsContact O-CA 3.27Å; M98-Q111 WeakPolarHBondContact O-CA 3.43Å; F109-Q111 PolarHBondContact O-N 2.83Å; F109-Q111 PolarHBondContact O-NE2 3.09Å; F109-Q111 PolarHBondContact O-OE1 3Å
112	Q	88.9	Confident	73.4	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.009	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.5	179.7	-72.7	-68.7	-34.1	0	0	109.2	Y97 M98 A151 M152 A153	Y97-Q112 VanDerWaalsContact CA-O 3.27Å; Y97-Q112 WeakPolarHBondContact CA-O 3.38Å; M98-Q112 HydrophobicContact CB-CB 4.41Å; M98-Q112 HydrophobicContact CE-CB 3.41Å; M98-Q112 VanDerWaalsContact CE-CB 3.41Å; M98-Q112 HydrophobicContact CE-CG 4.19Å; M98-Q112 PolarHBondContact N-O 3.33Å; M98-Q112 PolarHBondContact O-N 3.39Å; Q112-A151 WeakPolarHBondContact CG-O 3.44Å; Q112-M152 HydrophobicContact CG-CE 4.42Å; Q112-M152 HydrophobicContact CG-SD 4.2Å; Q112-M152 PolarHBondContact NE2-O 2.93Å; Q112-A153 PolarHBondContact NE2-O 2.99Å
113	P	93	Very high	74.9	Confident	0 Å²	0	51 Å²	51	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	137.8	174.2	30.4	-35.4	0	0	0	110	E42 A43 M94 F115	E42-P113 HydrophobicContact CB-CG 4.14Å; A43-P113 HydrophobicContact CB-CB 3.67Å; A43-P113 HydrophobicContact CB-CG 4.1Å; M94-P113 HydrophobicContact CE-CB 3.97Å; M94-P113 HydrophobicContact CG-CB 3.71Å; M94-P113 HydrophobicContact SD-CB 3.67Å; P113-F115 HydrophobicContact CB-CE2 4.18Å; P113-F115 HydrophobicContact CB-CZ 4.01Å; P113-F115 HydrophobicContact CG-CE2 4.23Å; P113-F115 HydrophobicContact CG-CZ 4.28Å
114	L	93.7	Very high	77.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.4	175	-67	172.4	0	0	0	109.6	L14 M94 A95 G96 M98 Y128 D130 Y136	L14-L114 HydrophobicContact CD2-CD1 3.16Å; M94-L114 CarbonylContact C-O 3.59Å; M94-L114 WeakPolarHBondContact CA-O 3.33Å; A95-L114 PolarHBondContact N-O 3.07Å; G96-L114 PolarHBondContact N-O 3.42Å; G96-L114 WeakPolarHBondContact O-CA 3.47Å; G96-L114 WeakPolarHBondContact O-CB 3.32Å; G96-L114 PolarHBondContact O-N 3.37Å; M98-L114 HydrophobicContact CE-CD2 3.57Å; M98-L114 HydrophobicContact CE-CG 4.16Å; M98-L114 HydrophobicContact CG-CD1 3.61Å; M98-L114 HydrophobicContact CG-CD2 4.34Å; M98-L114 HydrophobicContact CG-CG 4.12Å; M98-L114 HydrophobicContact SD-CD1 4.34Å; M98-L114 HydrophobicContact SD-CD2 4.14Å; L114-Y128 HydrophobicContact CB-CD1 3.76Å; L114-Y128 HydrophobicContact CB-CE1 4.45Å; L114-Y128 HydrophobicContact CB-CG 4.25Å; L114-Y128 HydrophobicContact CD1-CD1 3.98Å; L114-Y128 HydrophobicContact CD1-CD2 4.15Å; L114-Y128 HydrophobicContact CD1-CG 3.74Å; L114-Y128 HydrophobicContact CG-CD1 4.49Å; L114-D130 HydrophobicContact CD2-CB 4.33Å; L114-Y136 HydrophobicContact CD2-CD2 3.75Å; L114-Y136 HydrophobicContact CD2-CE2 4.05Å; L114-Y136 HydrophobicContact CD2-CG 4.42Å
115	F	94.5	Very high	79.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	154.8	175.1	-51.3	-80.7	0	0	0	108.4	A43 A47 F60 P92 L93 M94 P113 T129 A131 F167	A43-F115 HydrophobicContact CB-CE1 4.22Å; A43-F115 HydrophobicContact CB-CZ 3.88Å; A47-F115 HydrophobicContact CB-CE1 3.66Å; A47-F115 HydrophobicContact CB-CE2 4.39Å; A47-F115 HydrophobicContact CB-CZ 3.47Å; A47-F115 VanDerWaalsContact CB-CZ 3.47Å; F60-F115 HydrophobicContact CE1-CB 3.79Å; F60-F115 HydrophobicContact CZ-CB 4.39Å; P92-F115 HydrophobicContact CB-CD1 4.04Å; P92-F115 HydrophobicContact CG-CD1 3.65Å; P92-F115 HydrophobicContact CG-CE1 3.98Å; P92-F115 HydrophobicContact CG-CG 4.36Å; L93-F115 WeakPolarHBondContact O-CD1 3.4Å; M94-F115 HydrophobicContact CG-CE1 4.15Å; M94-F115 HydrophobicContact CG-CZ 4.5Å; P113-F115 HydrophobicContact CB-CE2 4.18Å; P113-F115 HydrophobicContact CB-CZ 4.01Å; P113-F115 HydrophobicContact CG-CE2 4.23Å; P113-F115 HydrophobicContact CG-CZ 4.28Å; F115-T129 PolarHBondContact N-O 2.79Å; F115-T129 PolarHBondContact O-N 2.87Å; F115-A131 HydrophobicContact CE2-CB 4.09Å; F115-F167 HydrophobicContact CB-CZ 3.94Å
116	S	93.7	Very high	81.6	Confident	7 Å²	7	44.2 Å²	44.2	5%	0.049	29%	0.291	C	S	.	.			trans	-138.6	121	176	-166.5	0	0	0	0	109.8	F60 K127 A139	F60-S116 WeakPolarHBondContact CD1-O 3.34Å; S116-K127 VanDerWaalsContact CA-O 3.32Å; S116-K127 WeakPolarHBondContact CA-O 3.48Å; S116-K127 WeakPolarHBondContact CB-O 3.14Å; S116-K127 PolarHBondContact OG-N 3.23Å; S116-K127 PolarHBondContact OG-O 2.82Å; S116-A139 WeakPolarHBondContact OG-CB 3.27Å
117	S	92.9	Very high	84.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-69.9	140.3	175.9	177.9	0	0	0	0	109.9	E59 N119 S122 Y125 G126	E59-S117 CarbonylContact O-C 3.39Å; E59-S117 WeakPolarHBondContact O-CA 3.1Å; E59-S117 PolarHBondContact O-OG 2.7Å; E59-S117 VanDerWaalsContact OE1-CB 3.26Å; E59-S117 WeakPolarHBondContact OE1-CB 3.33Å; E59-S117 PolarHBondContact OE1-OG 2.73Å; S117-N119 PolarHBondContact OG-N 3.47Å; S117-S122 WeakPolarHBondContact OG-CB 3.41Å; S117-S122 PolarHBondContact OG-OG 2.86Å; S117-Y125 WeakPolarHBondContact O-CA 3.32Å; S117-G126 PolarHBondContact O-N 3.26Å
118	K	92.2	Very high	86.5	Confident	115 Å²	115	40.1 Å²	40.1	50%	0.5	24%	0.238	S	C	.	.			trans	-105.8	1.3	171.3	-60.7	-63.5	-175.1	179.8	0	111.9	E59 F60 P120 Y125	E59-K118 PolarHBondContact O-N 3.24Å; F60-K118 WeakPolarHBondContact O-CB 3.5Å; F60-K118 WeakPolarHBondContact O-CG 3.49Å; K118-P120 WeakPolarHBondContact O-CD 3.49Å; K118-Y125 VanDerWaalsContact C-CD2 3.48Å; K118-Y125 VanDerWaalsContact O-CE2 3.25Å; K118-Y125 WeakPolarHBondContact O-CE2 3.47Å
119	N	90.5	Very high	88.5	Confident	42 Å²	42	37.9 Å²	37.9	23%	0.225	22%	0.215	C	C	.	.			trans	-78.6	115.4	174.3	-177.8	-2.4	0	0	0	110.8	A58 E59 S117 A121 S122 Y125	A58-N119 WeakPolarHBondContact O-CB 3.23Å; E59-N119 PolarHBondContact O-N 3.45Å; E59-N119 PolarHBondContact OE2-ND2 2.94Å; S117-N119 PolarHBondContact OG-N 3.47Å; N119-A121 PolarHBondContact O-N 3.23Å; N119-A121 VanDerWaalsContact O-N 3.11Å; N119-A121 WeakPolarHBondContact OD1-CB 3.33Å; N119-A121 PolarHBondContact OD1-N 2.83Å; N119-S122 VanDerWaalsContact O-CB 3.26Å; N119-S122 WeakPolarHBondContact O-CB 3.1Å; N119-S122 PolarHBondContact O-N 2.98Å; N119-Y125 WeakPolarHBondContact O-CB 3.44Å; N119-Y125 WeakPolarHBondContact O-CD2 3.48Å
120	P	89.6	Confident	90.3	Very high	102 Å²	102	33.8 Å²	33.8	66%	0.662	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.4	179.8	-23	34.8	0	0	0	114.2	K118 S122 Y125	K118-P120 WeakPolarHBondContact O-CD 3.49Å; P120-S122 VanDerWaalsContact C-N 3.29Å; P120-Y125 HydrophobicContact CG-CE2 4.29Å
121	A	88.7	Confident	91	Very high	91 Å²	91	33 Å²	33	75%	0.752	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.7	175.7	0	0	0	0	0	113	N119	N119-A121 PolarHBondContact O-N 3.23Å; N119-A121 VanDerWaalsContact O-N 3.11Å; N119-A121 WeakPolarHBondContact OD1-CB 3.33Å; N119-A121 PolarHBondContact OD1-N 2.83Å
122	S	88.6	Confident	91	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.063	20%	0.201	C	C	.	.	S	Bend	trans	-84.1	135.1	-177.4	-173	0	0	0	0	111.4	E59 S117 N119 P120 A124 Y125 G168	E59-S122 WeakPolarHBondContact OE1-CB 3.15Å; E59-S122 PolarHBondContact OE1-OG 2.78Å; S117-S122 WeakPolarHBondContact OG-CB 3.41Å; S117-S122 PolarHBondContact OG-OG 2.86Å; N119-S122 VanDerWaalsContact O-CB 3.26Å; N119-S122 WeakPolarHBondContact O-CB 3.1Å; N119-S122 PolarHBondContact O-N 2.98Å; P120-S122 VanDerWaalsContact C-N 3.29Å; S122-A124 PolarHBondContact O-N 2.78Å; S122-A124 VanDerWaalsContact O-N 3.11Å; S122-A124 PolarHBondContact OG-N 2.87Å; S122-Y125 WeakPolarHBondContact O-CB 3.39Å; S122-Y125 PolarHBondContact O-N 3.45Å; S122-G168 WeakPolarHBondContact OG-CA 3.45Å
123	P	88.3	Confident	90.9	Very high	54 Å²	54	34.4 Å²	34.4	35%	0.351	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.5	172.2	27.5	-35.5	0	0	0	113	Y125 K127 G168 V171 A172	P123-Y125 VanDerWaalsContact C-N 3.31Å; P123-K127 PolarHBondContact O-NZ 2.78Å; P123-G168 WeakPolarHBondContact CG-O 3.15Å; P123-V171 HydrophobicContact CB-CG1 4.37Å; P123-V171 HydrophobicContact CG-CB 4.18Å; P123-V171 HydrophobicContact CG-CG1 4.21Å; P123-A172 HydrophobicContact CG-CB 4.23Å
124	A	90.3	Very high	90.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.7	174.9	0	0	0	0	0	113.5	S122 G126 K127 F167 V171	S122-A124 PolarHBondContact O-N 2.78Å; S122-A124 VanDerWaalsContact O-N 3.11Å; S122-A124 PolarHBondContact OG-N 2.87Å; A124-G126 PolarHBondContact O-N 2.7Å; A124-K127 PolarHBondContact O-N 3.39Å; A124-F167 HydrophobicContact CB-CD1 4.14Å; A124-F167 HydrophobicContact CB-CE1 3.73Å; A124-V171 HydrophobicContact CB-CB 4.4Å; A124-V171 HydrophobicContact CB-CG1 4.36Å; A124-V171 HydrophobicContact CB-CG2 3.91Å
125	Y	93.3	Very high	90.5	Very high	119 Å²	119	38.7 Å²	38.7	47%	0.467	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-54.8	122.6	-176.6	-179.8	-118.9	0	0	0	111.9	S117 K118 N119 P120 S122 P123 K127	S117-Y125 WeakPolarHBondContact O-CA 3.32Å; K118-Y125 VanDerWaalsContact C-CD2 3.48Å; K118-Y125 VanDerWaalsContact O-CE2 3.25Å; K118-Y125 WeakPolarHBondContact O-CE2 3.47Å; N119-Y125 WeakPolarHBondContact O-CB 3.44Å; N119-Y125 WeakPolarHBondContact O-CD2 3.48Å; P120-Y125 HydrophobicContact CG-CE2 4.29Å; S122-Y125 WeakPolarHBondContact O-CB 3.39Å; S122-Y125 PolarHBondContact O-N 3.45Å; P123-Y125 VanDerWaalsContact C-N 3.31Å; Y125-K127 PolarHBondContact O-N 2.67Å
126	G	92.2	Very high	90.3	Very high	31 Å²	31	39 Å²	39	32%	0.32	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	19.5	178.3	0	0	0	0	0	114.3	S117 A124 A139	S117-G126 PolarHBondContact O-N 3.26Å; A124-G126 PolarHBondContact O-N 2.7Å; G126-A139 WeakPolarHBondContact O-CB 3.32Å; G126-A139 PolarHBondContact O-N 3.48Å
127	K	93.8	Very high	90.1	Very high	81 Å²	81	40 Å²	40	35%	0.352	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.4	-178.7	-65.7	173	-162.7	164.4	0	111.3	S116 P123 A124 Y125 N135 G137	S116-K127 VanDerWaalsContact CA-O 3.32Å; S116-K127 WeakPolarHBondContact CA-O 3.48Å; S116-K127 WeakPolarHBondContact CB-O 3.14Å; S116-K127 PolarHBondContact OG-N 3.23Å; S116-K127 PolarHBondContact OG-O 2.82Å; P123-K127 PolarHBondContact O-NZ 2.78Å; A124-K127 PolarHBondContact O-N 3.39Å; Y125-K127 PolarHBondContact O-N 2.67Å; K127-N135 WeakPolarHBondContact CD-ND2 3.43Å; K127-G137 CarbonylContact C-O 3.58Å; K127-G137 WeakPolarHBondContact CA-O 3.41Å; K127-G137 WeakPolarHBondContact CB-O 3.42Å
128	Y	94.1	Very high	90.1	Very high	3 Å²	3	42 Å²	42	1%	0.012	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.3	169	-78.7	-44.6	0	0	0	109.6	L14 Q16 A95 L114 Y136 G137 A139	L14-Y128 HydrophobicContact CB-CE2 4.3Å; L14-Y128 HydrophobicContact CD1-CD2 4.01Å; L14-Y128 HydrophobicContact CD1-CE2 4.46Å; L14-Y128 HydrophobicContact CD2-CD2 4.03Å; L14-Y128 HydrophobicContact CG-CD2 4.45Å; Q16-Y128 WeakPolarHBondContact CG-OH 3.46Å; A95-Y128 HydrophobicContact CB-CD1 4.43Å; A95-Y128 HydrophobicContact CB-CE1 4.02Å; A95-Y128 WeakPolarHBondContact O-CE1 3.41Å; A95-Y128 PolarHBondContact O-OH 3.22Å; L114-Y128 HydrophobicContact CB-CD1 3.76Å; L114-Y128 HydrophobicContact CB-CE1 4.45Å; L114-Y128 HydrophobicContact CB-CG 4.25Å; L114-Y128 HydrophobicContact CD1-CD1 3.98Å; L114-Y128 HydrophobicContact CD1-CD2 4.15Å; L114-Y128 HydrophobicContact CD1-CG 3.74Å; L114-Y128 HydrophobicContact CG-CD1 4.49Å; Y128-Y136 PolarHBondContact O-N 3.46Å; Y128-G137 PolarHBondContact N-O 2.84Å; Y128-A139 HydrophobicContact CD1-CB 3.95Å; Y128-A139 HydrophobicContact CD2-CB 4.35Å; Y128-A139 HydrophobicContact CE1-CB 3.92Å; Y128-A139 HydrophobicContact CE2-CB 4.33Å; Y128-A139 HydrophobicContact CG-CB 4.14Å
129	T	92.8	Very high	90	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.9	-178.2	-54.2	0	0	0	0	108.8	F115 K134 F167 V171	F115-T129 PolarHBondContact N-O 2.79Å; F115-T129 PolarHBondContact O-N 2.87Å; T129-K134 CarbonylContact C-O 3.5Å; T129-K134 WeakPolarHBondContact CA-O 3.38Å; T129-K134 WeakPolarHBondContact CG2-O 3.45Å; T129-F167 HydrophobicContact CG2-CE1 4.29Å; T129-F167 HydrophobicContact CG2-CE2 4.05Å; T129-F167 HydrophobicContact CG2-CZ 3.55Å; T129-V171 HydrophobicContact CG2-CG2 3.33Å
130	D	90.8	Very high	90	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	175	176	70	19.8	0	0	0	112.9	L114 T132 G133 K134 Y136 K155	L114-D130 HydrophobicContact CD2-CB 4.33Å; D130-T132 PolarHBondContact O-N 3.42Å; D130-T132 VanDerWaalsContact O-N 3.09Å; D130-T132 WeakPolarHBondContact OD1-CA 3.32Å; D130-T132 WeakPolarHBondContact OD1-CB 3.46Å; D130-T132 PolarHBondContact OD1-N 2.89Å; D130-T132 PolarHBondContact OD1-OG1 2.64Å; D130-T132 PolarHBondContact OD2-OG1 3.32Å; D130-T132 VanDerWaalsContact OD2-OG1 3.06Å; D130-G133 PolarHBondContact O-N 3.1Å; D130-G133 PolarHBondContact OD1-N 3.08Å; D130-G133 VanDerWaalsContact OD1-N 3.08Å; D130-K134 PolarHBondContact N-O 2.79Å; D130-K134 WeakPolarHBondContact OD1-CB 3.43Å; D130-K134 PolarHBondContact OD1-N 2.79Å; D130-K134 WeakPolarHBondContact OD2-CB 3.27Å; D130-Y136 HydrophobicContact CB-CE2 3.72Å; D130-Y136 PolarHBondContact OD2-OH 2.87Å; D130-K155 VanDerWaalsContact CG-CE 3.43Å; D130-K155 VanDerWaalsContact CG-NZ 3.3Å; D130-K155 IonicContact OD1-NZ 3.71Å; D130-K155 WeakPolarHBondContact OD2-CE 3.47Å; D130-K155 IonicContact OD2-NZ 3.72Å; D130-K155 PolarHBondContact OD2-NZ 3.15Å
131	A	86.8	Confident	89.8	Confident	15 Å²	15	38.8 Å²	38.8	12%	0.124	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.8	175.6	0	0	0	0	0	115.3	T46 F115 K155	T46-A131 WeakPolarHBondContact O-CB 3.18Å; T46-A131 VanDerWaalsContact OG1-CB 3.27Å; T46-A131 WeakPolarHBondContact OG1-CB 3.27Å; F115-A131 HydrophobicContact CE2-CB 4.09Å; A131-K155 HydrophobicContact CB-CD 3.94Å
132	T	82.7	Confident	89.6	Confident	54 Å²	54	36.9 Å²	36.9	33%	0.331	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.1	178.1	51.5	0	0	0	0	113.5	D130 K155 Q174	D130-T132 PolarHBondContact O-N 3.42Å; D130-T132 VanDerWaalsContact O-N 3.09Å; D130-T132 WeakPolarHBondContact OD1-CA 3.32Å; D130-T132 WeakPolarHBondContact OD1-CB 3.46Å; D130-T132 PolarHBondContact OD1-N 2.89Å; D130-T132 PolarHBondContact OD1-OG1 2.64Å; D130-T132 PolarHBondContact OD2-OG1 3.32Å; D130-T132 VanDerWaalsContact OD2-OG1 3.06Å; T132-K155 HydrophobicContact CG2-CB 4.41Å; T132-K155 HydrophobicContact CG2-CD 3.77Å; T132-K155 HydrophobicContact CG2-CG 3.97Å; T132-K155 PolarHBondContact OG1-NZ 3.22Å; T132-Q174 WeakPolarHBondContact O-CG 3.47Å
133	G	86.2	Confident	89.6	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.24	C	C	.	.			trans	84.9	13	-175.9	0	0	0	0	0	113.8	D130 V171	D130-G133 PolarHBondContact O-N 3.1Å; D130-G133 PolarHBondContact OD1-N 3.08Å; D130-G133 VanDerWaalsContact OD1-N 3.08Å; G133-V171 WeakPolarHBondContact O-CA 3.48Å; G133-V171 WeakPolarHBondContact O-CG2 3.32Å
134	K	87.8	Confident	89.6	Confident	43 Å²	43	42.8 Å²	42.8	19%	0.187	25%	0.25	C	C	.	.			trans	-78.5	131.5	176.1	-174.5	171.5	177.3	170	0	110	T129 D130 Y136	T129-K134 CarbonylContact C-O 3.5Å; T129-K134 WeakPolarHBondContact CA-O 3.38Å; T129-K134 WeakPolarHBondContact CG2-O 3.45Å; D130-K134 PolarHBondContact N-O 2.79Å; D130-K134 WeakPolarHBondContact OD1-CB 3.43Å; D130-K134 PolarHBondContact OD1-N 2.79Å; D130-K134 WeakPolarHBondContact OD2-CB 3.27Å; K134-Y136 HydrophobicContact CB-CE2 3.97Å; K134-Y136 HydrophobicContact CD-CE1 4.45Å; K134-Y136 HydrophobicContact CD-CE2 4.39Å; K134-Y136 HydrophobicContact CG-CE2 4Å; K134-Y136 VanDerWaalsContact O-CD2 3.25Å; K134-Y136 WeakPolarHBondContact O-CD2 3.34Å; K134-Y136 WeakPolarHBondContact O-CE2 3.18Å
135	N	90.4	Very high	89.4	Confident	47 Å²	47	44.9 Å²	44.9	25%	0.251	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	134.3	-178.3	-161.8	-54.4	0	0	0	111.9	K127 G137	K127-N135 WeakPolarHBondContact CD-ND2 3.43Å; N135-G137 WeakPolarHBondContact OD1-CA 3.1Å; N135-G137 PolarHBondContact OD1-N 3.02Å
136	Y	89.8	Confident	89.1	Confident	6 Å²	6	43.3 Å²	43.3	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	16.7	179.4	-61.9	-93	0	0	0	112.5	M98 L114 Y128 D130 K134 M145 V147 A151	M98-Y136 HydrophobicContact CE-CD1 4.28Å; M98-Y136 HydrophobicContact CE-CD2 4.3Å; M98-Y136 HydrophobicContact CE-CE1 3.74Å; M98-Y136 HydrophobicContact CE-CE2 3.8Å; M98-Y136 VanDerWaalsContact CE-CZ 3.45Å; M98-Y136 HydrophobicContact SD-CD1 3.47Å; M98-Y136 WeakPolarHBondContact SD-CD1 3.45Å; M98-Y136 HydrophobicContact SD-CD2 4.3Å; M98-Y136 HydrophobicContact SD-CE1 3.37Å; M98-Y136 WeakPolarHBondContact SD-CE1 3.13Å; M98-Y136 HydrophobicContact SD-CE2 4.24Å; M98-Y136 HydrophobicContact SD-CG 3.95Å; L114-Y136 HydrophobicContact CD2-CD2 3.75Å; L114-Y136 HydrophobicContact CD2-CE2 4.05Å; L114-Y136 HydrophobicContact CD2-CG 4.42Å; Y128-Y136 PolarHBondContact O-N 3.46Å; D130-Y136 HydrophobicContact CB-CE2 3.72Å; D130-Y136 PolarHBondContact OD2-OH 2.87Å; K134-Y136 HydrophobicContact CB-CE2 3.97Å; K134-Y136 HydrophobicContact CD-CE1 4.45Å; K134-Y136 HydrophobicContact CD-CE2 4.39Å; K134-Y136 HydrophobicContact CG-CE2 4Å; K134-Y136 VanDerWaalsContact O-CD2 3.25Å; K134-Y136 WeakPolarHBondContact O-CD2 3.34Å; K134-Y136 WeakPolarHBondContact O-CE2 3.18Å; Y136-M145 HydrophobicContact CD1-CE 3.96Å; Y136-M145 HydrophobicContact CG-CE 4.34Å; Y136-M145 WeakPolarHBondContact O-CE 3.19Å; Y136-M145 VanDerWaalsContact O-SD 3.4Å; Y136-V147 HydrophobicContact CD1-CG1 3.88Å; Y136-V147 HydrophobicContact CE1-CB 4.42Å; Y136-V147 HydrophobicContact CE1-CG1 3.69Å; Y136-A151 HydrophobicContact CE1-CB 4.42Å
137	G	90.2	Very high	88.6	Confident	27 Å²	27	42 Å²	42	28%	0.278	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	85	-163.1	-179.8	0	0	0	0	0	112.9	K127 Y128 N135	K127-G137 CarbonylContact C-O 3.58Å; K127-G137 WeakPolarHBondContact CA-O 3.41Å; K127-G137 WeakPolarHBondContact CB-O 3.42Å; Y128-G137 PolarHBondContact N-O 2.84Å; N135-G137 WeakPolarHBondContact OD1-CA 3.1Å; N135-G137 PolarHBondContact OD1-N 3.02Å
138	A	92.3	Very high	87.9	Confident	43 Å²	43	40.3 Å²	40.3	36%	0.355	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	139.4	-174.8	0	0	0	0	0	112.2	Q140	A138-Q140 HydrophobicContact CB-CG 4.21Å; A138-Q140 PolarHBondContact O-N 2.84Å
139	A	91.1	Very high	87	Confident	32 Å²	32	44.3 Å²	44.3	26%	0.264	26%	0.263	S	S	.	.			trans	-72.3	66.9	177.3	0	0	0	0	0	111.2	S116 G126 Y128	S116-A139 WeakPolarHBondContact OG-CB 3.27Å; G126-A139 WeakPolarHBondContact O-CB 3.32Å; G126-A139 PolarHBondContact O-N 3.48Å; Y128-A139 HydrophobicContact CD1-CB 3.95Å; Y128-A139 HydrophobicContact CD2-CB 4.35Å; Y128-A139 HydrophobicContact CE1-CB 3.92Å; Y128-A139 HydrophobicContact CE2-CB 4.33Å; Y128-A139 HydrophobicContact CG-CB 4.14Å
140	Q	89.3	Confident	86.2	Confident	113 Å²	113	49.6 Å²	49.6	53%	0.528	30%	0.296	S	S	.	.			trans	-117.2	119.8	178.1	-67.4	-168.5	-59.8	0	0	110	A138 R143	A138-Q140 HydrophobicContact CB-CG 4.21Å; A138-Q140 PolarHBondContact O-N 2.84Å; Q140-R143 HydrophobicContact CB-CG 4.31Å
141	P	85.4	Confident	85.6	Confident	46 Å²	46	49.7 Å²	49.7	30%	0.299	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	164.2	172.4	31.1	-41.9	0	0	0	112.3	Q16 D20 R143	Q16-P141 HydrophobicContact CB-CB 4.49Å; Q16-P141 HydrophobicContact CG-CB 3.99Å; Q16-P141 HydrophobicContact CG-CG 4.3Å; D20-P141 WeakPolarHBondContact OD2-CB 3.06Å; P141-R143 PolarHBondContact O-N 3.38Å
142	G	86	Confident	85	Confident	51 Å²	51	49.2 Å²	49.2	53%	0.526	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-0.7	173.4	0	0	0	0	0	114.5	L14	L14-G142 PolarHBondContact O-N 3.18Å
143	R	87.5	Confident	84.8	Confident	97 Å²	97	48.8 Å²	48.8	37%	0.366	29%	0.294	S	S	.	.			trans	-81.1	141.2	176.6	-67.6	-174.6	67.5	-142.5	-2.6	110.7	L14 Q140 P141	L14-R143 WeakPolarHBondContact CB-O 3.37Å; L14-R143 HydrophobicContact CD1-CB 3.9Å; L14-R143 PolarHBondContact N-O 3.01Å; Q140-R143 HydrophobicContact CB-CG 4.31Å; P141-R143 PolarHBondContact O-N 3.38Å
144	T	88	Confident	84.2	Confident	91 Å²	91	54 Å²	54	56%	0.558	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.1	169.5	58.9	0	0	0	0	110	V12 S13	V12-T144 CarbonylContact O-C 3.59Å; V12-T144 VanDerWaalsContact O-CA 3.23Å; V12-T144 WeakPolarHBondContact O-CA 3.45Å; S13-T144 WeakPolarHBondContact OG-CG2 3.45Å
145	M	86.7	Confident	83.7	Confident	43 Å²	43	52.7 Å²	52.7	21%	0.212	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	155.7	178.4	49.4	-159.3	-67.5	0	0	111.9	T11 V12 L14 Y136 V147	T11-M145 WeakPolarHBondContact CA-O 3.34Å; V12-M145 HydrophobicContact CG2-CG 3.86Å; V12-M145 WeakPolarHBondContact CG2-O 3.5Å; V12-M145 PolarHBondContact N-O 3.32Å; V12-M145 PolarHBondContact O-N 3.12Å; L14-M145 HydrophobicContact CD1-CG 4.31Å; L14-M145 HydrophobicContact CD1-SD 3.43Å; L14-M145 WeakPolarHBondContact CD1-SD 3.45Å; L14-M145 HydrophobicContact CG-SD 4.21Å; Y136-M145 HydrophobicContact CD1-CE 3.96Å; Y136-M145 HydrophobicContact CG-CE 4.34Å; Y136-M145 WeakPolarHBondContact O-CE 3.19Å; Y136-M145 VanDerWaalsContact O-SD 3.4Å; M145-V147 HydrophobicContact CG-CG1 4.38Å
146	T	86.3	Confident	83.1	Confident	86 Å²	86	55.5 Å²	55.5	53%	0.528	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.7	178.8	-57.1	0	0	0	0	109.3	D9 E10	D9-T146 HydrophobicContact CB-CG2 3.39Å; E10-T146 WeakPolarHBondContact O-CA 3.39Å
147	V	83.3	Confident	82.5	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.03	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.1	178.3	-57.1	0	0	0	0	109.2	D9 E10 V12 Y136 M145 A151 M152	D9-V147 CarbonylContact C-O 3.6Å; E10-V147 PolarHBondContact N-O 2.82Å; E10-V147 PolarHBondContact O-N 3.26Å; V12-V147 HydrophobicContact CB-CG2 4.27Å; V12-V147 HydrophobicContact CG1-CG2 3.46Å; V12-V147 VanDerWaalsContact CG1-CG2 3.46Å; V12-V147 HydrophobicContact CG2-CB 4.41Å; V12-V147 HydrophobicContact CG2-CG1 3.75Å; V12-V147 HydrophobicContact CG2-CG2 3.76Å; Y136-V147 HydrophobicContact CD1-CG1 3.88Å; Y136-V147 HydrophobicContact CE1-CB 4.42Å; Y136-V147 HydrophobicContact CE1-CG1 3.69Å; M145-V147 HydrophobicContact CG-CG1 4.38Å; V147-A151 HydrophobicContact CB-CB 3.92Å; V147-A151 HydrophobicContact CG2-CB 4.07Å; V147-M152 HydrophobicContact CG2-CG 3.88Å; V147-M152 HydrophobicContact CG2-SD 3.92Å
148	P	78.5	Confident	81.9	Confident	44 Å²	44	57.3 Å²	57.3	29%	0.286	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	149.3	174.7	28	-34.9	0	0	0	110	T150 A151	P148-T150 PolarHBondContact O-N 3.02Å; P148-A151 HydrophobicContact CG-CB 4.17Å; P148-A151 WeakPolarHBondContact O-CA 3.32Å; P148-A151 WeakPolarHBondContact O-CB 3.4Å; P148-A151 PolarHBondContact O-N 3.47Å
149	K	74.3	Confident	80.7	Confident	87 Å²	87	58.2 Å²	58.2	38%	0.378	36%	0.355	S	S	.	.	H	α-helix	trans	-48.8	-32.1	173.7	-87	-176.5	-160.2	152.3	0	114.1	S8 E10 A151 M152 A153	S8-K149 WeakPolarHBondContact O-CG 2.99Å; S8-K149 PolarHBondContact O-N 3.21Å; S8-K149 PolarHBondContact OG-NZ 2.9Å; E10-K149 VanDerWaalsContact CD-CG 3.49Å; E10-K149 HydrophobicContact CG-CG 3.76Å; E10-K149 WeakPolarHBondContact OE1-CE 3.17Å; E10-K149 WeakPolarHBondContact OE1-CG 3.13Å; K149-A151 PolarHBondContact O-N 2.75Å; K149-M152 WeakPolarHBondContact O-CA 2.99Å; K149-M152 WeakPolarHBondContact O-CB 3.27Å; K149-M152 PolarHBondContact O-N 2.8Å; K149-A153 PolarHBondContact O-N 3.42Å; K149-A153 VanDerWaalsContact O-N 3.1Å
150	T	76.6	Confident	79.8	Confident	111 Å²	111	60.8 Å²	60.8	68%	0.681	37%	0.367	S	S	*	.	H	α-helix	trans	-64.5	-25.4	176.4	54.1	0	0	0	0	113.6	P148 M152	P148-T150 PolarHBondContact O-N 3.02Å; T150-M152 PolarHBondContact O-N 3.3Å
151	A	77.6	Confident	79.2	Confident	3 Å²	3	57.9 Å²	57.9	3%	0.025	36%	0.357	C	S	.	.	H	α-helix	trans	-67.5	-26.3	172.2	0	0	0	0	0	111.8	Q112 Y136 V147 P148 K149	Q112-A151 WeakPolarHBondContact CG-O 3.44Å; Y136-A151 HydrophobicContact CE1-CB 4.42Å; V147-A151 HydrophobicContact CB-CB 3.92Å; V147-A151 HydrophobicContact CG2-CB 4.07Å; P148-A151 HydrophobicContact CG-CB 4.17Å; P148-A151 WeakPolarHBondContact O-CA 3.32Å; P148-A151 WeakPolarHBondContact O-CB 3.4Å; P148-A151 PolarHBondContact O-N 3.47Å; K149-A151 PolarHBondContact O-N 2.75Å
152	M	74.7	Confident	78.9	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.02	35%	0.351	C	S	.	.	H	α-helix	trans	-96.8	-16.7	-175.6	-60.1	-53.1	-67.2	0	0	113	V12 M98 A110 Q112 V147 K149 T150	V12-M152 HydrophobicContact CG1-CE 3.76Å; V12-M152 HydrophobicContact CG1-CG 4.09Å; V12-M152 HydrophobicContact CG1-SD 3.48Å; V12-M152 WeakPolarHBondContact CG1-SD 3.36Å; M98-M152 HydrophobicContact CB-CE 4.22Å; M98-M152 HydrophobicContact CB-SD 4.28Å; A110-M152 HydrophobicContact CB-CB 3.63Å; A110-M152 HydrophobicContact CB-CE 3.99Å; A110-M152 WeakPolarHBondContact O-CE 3.29Å; Q112-M152 HydrophobicContact CG-CE 4.42Å; Q112-M152 HydrophobicContact CG-SD 4.2Å; Q112-M152 PolarHBondContact NE2-O 2.93Å; V147-M152 HydrophobicContact CG2-CG 3.88Å; V147-M152 HydrophobicContact CG2-SD 3.92Å; K149-M152 WeakPolarHBondContact O-CA 2.99Å; K149-M152 WeakPolarHBondContact O-CB 3.27Å; K149-M152 PolarHBondContact O-N 2.8Å; T150-M152 PolarHBondContact O-N 3.3Å
153	A	79.1	Confident	78.3	Confident	46 Å²	46	59.9 Å²	59.9	38%	0.38	36%	0.358	S	S	.	.	S	Bend	trans	-59.8	143.9	176.6	0	0	0	0	0	112.2	Q112 K149 K155	Q112-A153 PolarHBondContact NE2-O 2.99Å; K149-A153 PolarHBondContact O-N 3.42Å; K149-A153 VanDerWaalsContact O-N 3.1Å; A153-K155 PolarHBondContact O-N 3.3Å
154	P	73.7	Confident	77.5	Confident	108 Å²	108	64 Å²	64	70%	0.701	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-51.1	128.1	174.7	-26.6	34.5	0	0	0	111.5
155	K	77.5	Confident	76.7	Confident	16 Å²	16	60.7 Å²	60.7	7%	0.07	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-85.4	150.4	-177.9	-70.6	169.5	-175.6	-66.9	0	110.6	R45 T46 D130 A131 T132 A153	R45-K155 VanDerWaalsContact CZ-O 3.23Å; R45-K155 PolarHBondContact NH1-O 2.88Å; R45-K155 PolarHBondContact NH2-O 3.38Å; T46-K155 HydrophobicContact CG2-CB 4.07Å; D130-K155 VanDerWaalsContact CG-CE 3.43Å; D130-K155 VanDerWaalsContact CG-NZ 3.3Å; D130-K155 IonicContact OD1-NZ 3.71Å; D130-K155 WeakPolarHBondContact OD2-CE 3.47Å; D130-K155 IonicContact OD2-NZ 3.72Å; D130-K155 PolarHBondContact OD2-NZ 3.15Å; A131-K155 HydrophobicContact CB-CD 3.94Å; T132-K155 HydrophobicContact CG2-CB 4.41Å; T132-K155 HydrophobicContact CG2-CD 3.77Å; T132-K155 HydrophobicContact CG2-CG 3.97Å; T132-K155 PolarHBondContact OG1-NZ 3.22Å; A153-K155 PolarHBondContact O-N 3.3Å
156	P	77.6	Confident	76.3	Confident	107 Å²	107	59.4 Å²	59.4	70%	0.695	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-55.5	146.4	169.9	-23.4	34.1	0	0	0	111.1
157	A	77.5	Confident	76.1	Confident	40 Å²	40	55.4 Å²	55.4	33%	0.331	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-61.9	144.3	175.4	0	0	0	0	0	109.6	R45 T159	R45-A157 HydrophobicContact CG-CB 3.59Å; R45-A157 CarbonylContact O-C 3.5Å; R45-A157 VanDerWaalsContact O-CA 3.27Å; R45-A157 WeakPolarHBondContact O-CA 3Å; A157-T159 PolarHBondContact O-N 2.91Å
158	T	75.9	Confident	76.1	Confident	30 Å²	30	55.5 Å²	55.5	18%	0.184	33%	0.333	C	S	.	.			trans	-75.7	111.1	172.8	38.7	0	0	0	0	109.1	R45 T46 A47	R45-T158 PolarHBondContact O-N 3.01Å; R45-T158 PolarHBondContact O-OG1 3.33Å; T46-T158 VanDerWaalsContact C-OG1 3.31Å; T46-T158 WeakPolarHBondContact O-CG2 3.1Å; A47-T158 WeakPolarHBondContact O-CB 3.49Å; A47-T158 PolarHBondContact O-OG1 3.18Å
159	T	68.5	Low	76.3	Confident	63 Å²	63	58.7 Å²	58.7	39%	0.387	34%	0.344	S	S	.	.			trans	-101.5	-4.1	-176.6	60.7	0	0	0	0	113.3	A75 N78 A157	A75-T159 HydrophobicContact CB-CG2 3.29Å; N78-T159 PolarHBondContact ND2-O 2.8Å; A157-T159 PolarHBondContact O-N 2.91Å
160	T	70.8	Confident	76.6	Confident	85 Å²	85	56.2 Å²	56.2	52%	0.521	34%	0.338	S	S	.	.	S	Bend	trans	-116.1	136	-174.6	-60.3	0	0	0	0	110	V162	T160-V162 PolarHBondContact O-N 3.49Å
161	T	78.1	Confident	77	Confident	52 Å²	52	51 Å²	51	32%	0.319	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.6	168.3	-56.1	0	0	0	0	109	K49 A51 F89	K49-T161 CarbonylContact O-C 3.55Å; K49-T161 WeakPolarHBondContact O-CA 3.26Å; A51-T161 HydrophobicContact CB-CG2 3.96Å; F89-T161 HydrophobicContact CD1-CG2 4.23Å; F89-T161 HydrophobicContact CE1-CG2 4.31Å; F89-T161 WeakPolarHBondContact CE1-OG1 3.08Å
162	V	78.1	Confident	77.3	Confident	30 Å²	30	52.7 Å²	52.7	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.8	173.7	178.9	0	0	0	0	108.7	P48 K49 Y50 T160	P48-V162 HydrophobicContact CB-CG2 4.21Å; K49-V162 WeakPolarHBondContact O-CA 3.44Å; K49-V162 WeakPolarHBondContact O-CB 3.13Å; K49-V162 PolarHBondContact O-N 2.8Å; Y50-V162 HydrophobicContact CD1-CB 4.48Å; Y50-V162 HydrophobicContact CD1-CG1 4.49Å; Y50-V162 WeakPolarHBondContact CD1-O 3.38Å; Y50-V162 HydrophobicContact CE1-CB 4.23Å; Y50-V162 HydrophobicContact CE1-CG1 3.84Å; T160-V162 PolarHBondContact O-N 3.49Å
163	T	75	Confident	77.7	Confident	109 Å²	109	58.8 Å²	58.8	67%	0.669	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-76.3	158.9	165.2	-46.2	0	0	0	0	109.6	G165 G166	T163-G165 PolarHBondContact O-N 3.21Å; T163-G166 PolarHBondContact O-N 3.47Å
164	R	70.2	Confident	77.6	Confident	183 Å²	183	59.7 Å²	59.7	69%	0.691	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-34.5	123.8	179.4	-162.9	176.7	-167.4	-147.4	2.8	113.4	D55 G166	D55-R164 WeakPolarHBondContact OD1-CB 3.16Å; R164-G166 PolarHBondContact O-N 2.03Å
165	G	70.5	Confident	77.5	Confident	22 Å²	22	56.7 Å²	56.7	23%	0.227	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-8.2	177.3	0	0	0	0	0	116.5	T163 F167 G168 E169	T163-G165 PolarHBondContact O-N 3.21Å; G165-F167 VanDerWaalsContact C-N 3.26Å; G165-F167 PolarHBondContact O-N 2.76Å; G165-G168 PolarHBondContact O-N 3.43Å; G165-G168 VanDerWaalsContact O-N 3.1Å; G165-E169 PolarHBondContact O-N 3.29Å; G165-E169 VanDerWaalsContact O-N 3.07Å
166	G	79	Confident	77.3	Confident	16 Å²	16	60.1 Å²	60.1	17%	0.165	35%	0.346	C	S	.	.	H	α-helix	trans	-67.5	-20.4	-174.5	0	0	0	0	0	115.2	T163 R164 E169 S170	T163-G166 PolarHBondContact O-N 3.47Å; R164-G166 PolarHBondContact O-N 2.03Å; G166-E169 PolarHBondContact O-N 3.36Å; G166-S170 PolarHBondContact O-N 3.2Å
167	F	82.8	Confident	76.8	Confident	3 Å²	3	60.1 Å²	60.1	1%	0.013	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-49.3	169.6	-179	-112.6	0	0	0	111.1	P48 Y50 E59 F60 F115 A124 T129 G165 E169 S170 V171	P48-F167 HydrophobicContact CG-CD2 3.51Å; P48-F167 HydrophobicContact CG-CE2 3.94Å; P48-F167 HydrophobicContact CG-CG 4.34Å; Y50-F167 WeakPolarHBondContact OH-CB 3.09Å; E59-F167 HydrophobicContact CG-CB 4.14Å; E59-F167 HydrophobicContact CG-CD1 4.29Å; F60-F167 AromaticContact CE1-CD1 3.91Å; F60-F167 HydrophobicContact CE1-CD1 3.91Å; F60-F167 AromaticContact CE1-CE1 3.72Å; F60-F167 HydrophobicContact CE1-CE1 3.72Å; F60-F167 HydrophobicContact CE1-CZ 4.19Å; F60-F167 HydrophobicContact CE2-CB 4.47Å; F60-F167 HydrophobicContact CE2-CD1 4.38Å; F60-F167 HydrophobicContact CE2-CG 4.39Å; F60-F167 HydrophobicContact CZ-CB 4.22Å; F60-F167 AromaticContact CZ-CD1 3.48Å; F60-F167 HydrophobicContact CZ-CD1 3.48Å; F60-F167 VanDerWaalsContact CZ-CD1 3.48Å; F60-F167 HydrophobicContact CZ-CD2 4.13Å; F60-F167 AromaticContact CZ-CE1 3.7Å; F60-F167 HydrophobicContact CZ-CE1 3.7Å; F60-F167 HydrophobicContact CZ-CE2 4.32Å; F60-F167 AromaticContact CZ-CG 3.68Å; F60-F167 HydrophobicContact CZ-CG 3.68Å; F60-F167 HydrophobicContact CZ-CZ 4.09Å; F115-F167 HydrophobicContact CB-CZ 3.94Å; A124-F167 HydrophobicContact CB-CD1 4.14Å; A124-F167 HydrophobicContact CB-CE1 3.73Å; T129-F167 HydrophobicContact CG2-CE1 4.29Å; T129-F167 HydrophobicContact CG2-CE2 4.05Å; T129-F167 HydrophobicContact CG2-CZ 3.55Å; G165-F167 VanDerWaalsContact C-N 3.26Å; G165-F167 PolarHBondContact O-N 2.76Å; F167-E169 PolarHBondContact O-N 3.09Å; F167-S170 WeakPolarHBondContact O-CB 3.2Å; F167-S170 PolarHBondContact O-N 3.44Å; F167-S170 VanDerWaalsContact O-N 3.08Å; F167-S170 PolarHBondContact O-OG 2.8Å; F167-V171 WeakPolarHBondContact O-CG2 3.4Å; F167-V171 PolarHBondContact O-N 3.44Å; F167-V171 VanDerWaalsContact O-N 3.1Å
168	G	81.3	Confident	75.9	Confident	6 Å²	6	63.4 Å²	63.4	6%	0.062	35%	0.347	C	S	.	.	H	α-helix	trans	-57.1	-39	172.9	0	0	0	0	0	112.3	S122 P123 G165 V171 A172	S122-G168 WeakPolarHBondContact OG-CA 3.45Å; P123-G168 WeakPolarHBondContact CG-O 3.15Å; G165-G168 PolarHBondContact O-N 3.43Å; G165-G168 VanDerWaalsContact O-N 3.1Å; G168-V171 PolarHBondContact O-N 2.79Å; G168-A172 WeakPolarHBondContact O-CB 3.25Å; G168-A172 PolarHBondContact O-N 2.82Å
169	E	83.3	Confident	75	Confident	112 Å²	112	71.6 Å²	71.6	52%	0.523	37%	0.374	S	S	.	.	H	α-helix	trans	-64.5	-40.8	173.8	-64.4	-175.6	158.4	0	0	113	G165 G166 F167 V171 A172 K173	G165-E169 PolarHBondContact O-N 3.29Å; G165-E169 VanDerWaalsContact O-N 3.07Å; G166-E169 PolarHBondContact O-N 3.36Å; F167-E169 PolarHBondContact O-N 3.09Å; E169-V171 PolarHBondContact O-N 3.04Å; E169-A172 PolarHBondContact O-N 3.39Å; E169-K173 WeakPolarHBondContact O-CB 3.38Å; E169-K173 VanDerWaalsContact O-CG 3.27Å; E169-K173 WeakPolarHBondContact O-CG 3.16Å; E169-K173 PolarHBondContact O-N 2.66Å
170	S	81.9	Confident	74.4	Confident	35 Å²	35	73 Å²	73	25%	0.245	39%	0.386	C	S	.	.	H	α-helix	trans	-60	-39.3	176.1	75.6	0	0	0	0	111.3	G166 F167 K173 Q174	G166-S170 PolarHBondContact O-N 3.2Å; F167-S170 WeakPolarHBondContact O-CB 3.2Å; F167-S170 PolarHBondContact O-N 3.44Å; F167-S170 VanDerWaalsContact O-N 3.08Å; F167-S170 PolarHBondContact O-OG 2.8Å; S170-K173 PolarHBondContact O-N 2.64Å; S170-Q174 WeakPolarHBondContact O-CG 3.5Å; S170-Q174 PolarHBondContact O-N 3.22Å
171	V	83.2	Confident	73.4	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-69.4	-41	175.3	179.8	0	0	0	0	112	P123 A124 T129 G133 F167 G168 E169 Q174 S175	P123-V171 HydrophobicContact CB-CG1 4.37Å; P123-V171 HydrophobicContact CG-CB 4.18Å; P123-V171 HydrophobicContact CG-CG1 4.21Å; A124-V171 HydrophobicContact CB-CB 4.4Å; A124-V171 HydrophobicContact CB-CG1 4.36Å; A124-V171 HydrophobicContact CB-CG2 3.91Å; T129-V171 HydrophobicContact CG2-CG2 3.33Å; G133-V171 WeakPolarHBondContact O-CA 3.48Å; G133-V171 WeakPolarHBondContact O-CG2 3.32Å; F167-V171 WeakPolarHBondContact O-CG2 3.4Å; F167-V171 PolarHBondContact O-N 3.44Å; F167-V171 VanDerWaalsContact O-N 3.1Å; G168-V171 PolarHBondContact O-N 2.79Å; E169-V171 PolarHBondContact O-N 3.04Å; V171-Q174 PolarHBondContact O-N 3.23Å; V171-S175 VanDerWaalsContact O-CB 3.32Å; V171-S175 WeakPolarHBondContact O-CB 3.38Å; V171-S175 PolarHBondContact O-N 3.39Å; V171-S175 PolarHBondContact O-OG 2.94Å
172	A	84.5	Confident	72.1	Confident	39 Å²	39	76 Å²	76	32%	0.322	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-41.8	175.6	0	0	0	0	0	111.9	P123 G168 E169 S175 T176	P123-A172 HydrophobicContact CG-CB 4.23Å; G168-A172 WeakPolarHBondContact O-CB 3.25Å; G168-A172 PolarHBondContact O-N 2.82Å; E169-A172 PolarHBondContact O-N 3.39Å; A172-S175 PolarHBondContact O-N 3Å; A172-T176 WeakPolarHBondContact O-CB 3.42Å; A172-T176 PolarHBondContact O-N 3.27Å; A172-T176 PolarHBondContact O-OG1 3.05Å
173	K	82.8	Confident	70.5	Confident	133 Å²	133	77.4 Å²	77.4	58%	0.578	43%	0.434	S	S	*	.	H	α-helix	trans	-63.6	-48.2	176.7	-73.5	171.9	-177.2	173.8	0	111	E169 S170 S175 T176 M177	E169-K173 WeakPolarHBondContact O-CB 3.38Å; E169-K173 VanDerWaalsContact O-CG 3.27Å; E169-K173 WeakPolarHBondContact O-CG 3.16Å; E169-K173 PolarHBondContact O-N 2.66Å; S170-K173 PolarHBondContact O-N 2.64Å; K173-S175 PolarHBondContact O-N 3.07Å; K173-T176 PolarHBondContact O-N 2.92Å; K173-M177 WeakPolarHBondContact O-CG 3.34Å; K173-M177 PolarHBondContact O-N 3.05Å
174	Q	78.1	Confident	68.9	Low	65 Å²	65	78.5 Å²	78.5	30%	0.304	44%	0.441	S	S	.	.	H	α-helix	trans	-58.5	-46.7	174.9	-76.6	-70.4	-30.3	0	0	111.9	T132 S170 V171 T176 M177 Q178	T132-Q174 WeakPolarHBondContact O-CG 3.47Å; S170-Q174 WeakPolarHBondContact O-CG 3.5Å; S170-Q174 PolarHBondContact O-N 3.22Å; V171-Q174 PolarHBondContact O-N 3.23Å; Q174-T176 VanDerWaalsContact C-N 3.32Å; Q174-T176 PolarHBondContact O-N 3.18Å; Q174-M177 HydrophobicContact CG-CE 4.44Å; Q174-M177 PolarHBondContact O-N 3.29Å; Q174-Q178 WeakPolarHBondContact O-CB 3.14Å; Q174-Q178 PolarHBondContact O-N 3.07Å
175	S	72.1	Confident	67.7	Low	45 Å²	45	74.1 Å²	74.1	32%	0.315	44%	0.439	S	S	.	.	H	α-helix	trans	-61.9	-38.9	179.1	-58.3	0	0	0	0	112.4	V171 A172 K173 R179	V171-S175 VanDerWaalsContact O-CB 3.32Å; V171-S175 WeakPolarHBondContact O-CB 3.38Å; V171-S175 PolarHBondContact O-N 3.39Å; V171-S175 PolarHBondContact O-OG 2.94Å; A172-S175 PolarHBondContact O-N 3Å; K173-S175 PolarHBondContact O-N 3.07Å; S175-R179 WeakPolarHBondContact O-CG 3.41Å; S175-R179 PolarHBondContact O-N 3.32Å; S175-R179 VanDerWaalsContact O-N 3.15Å
176	T	73.3	Confident	66.8	Low	87 Å²	87	78.9 Å²	78.9	53%	0.534	47%	0.468	S	S	.	.	H	α-helix	trans	-66.4	-46.8	176.7	-56.1	0	0	0	0	111.3	A172 K173 Q174 Q178 R179 S180	A172-T176 WeakPolarHBondContact O-CB 3.42Å; A172-T176 PolarHBondContact O-N 3.27Å; A172-T176 PolarHBondContact O-OG1 3.05Å; K173-T176 PolarHBondContact O-N 2.92Å; Q174-T176 VanDerWaalsContact C-N 3.32Å; Q174-T176 PolarHBondContact O-N 3.18Å; T176-Q178 VanDerWaalsContact C-N 3.3Å; T176-Q178 PolarHBondContact O-N 3.1Å; T176-R179 WeakPolarHBondContact O-CB 3.26Å; T176-R179 PolarHBondContact O-N 3.39Å; T176-S180 PolarHBondContact O-N 3.11Å; T176-S180 PolarHBondContact O-OG 2.99Å
177	M	66.6	Low	65.2	Low	107 Å²	107	89.3 Å²	89.3	53%	0.527	50%	0.503	S	S	.	.	H	α-helix	trans	-61.1	-39	177.5	-70.7	-175	-70.7	0	0	112.4	K173 Q174 R179 S180 A181	K173-M177 WeakPolarHBondContact O-CG 3.34Å; K173-M177 PolarHBondContact O-N 3.05Å; Q174-M177 HydrophobicContact CG-CE 4.44Å; Q174-M177 PolarHBondContact O-N 3.29Å; M177-R179 VanDerWaalsContact C-N 3.33Å; M177-R179 PolarHBondContact O-N 3.19Å; M177-S180 PolarHBondContact O-N 3.49Å; M177-A181 PolarHBondContact O-N 2.87Å
178	Q	58.7	Low	63.7	Low	110 Å²	110	93.8 Å²	93.8	51%	0.514	54%	0.535	S	S	.	.	H	α-helix	trans	-68	-32.7	178.7	-155.4	164.9	-24.2	0	0	112.2	Q174 T176 T182	Q174-Q178 WeakPolarHBondContact O-CB 3.14Å; Q174-Q178 PolarHBondContact O-N 3.07Å; T176-Q178 VanDerWaalsContact C-N 3.3Å; T176-Q178 PolarHBondContact O-N 3.1Å; Q178-T182 PolarHBondContact O-N 2.84Å; Q178-T182 PolarHBondContact O-OG1 3.05Å
179	R	55.3	Low	62	Low	201 Å²	201	102.5 Å²	102.5	76%	0.758	58%	0.576	S	S	*	*	H	α-helix	trans	-69.1	-40.7	170.9	-74.7	178.5	-179.9	-176.8	0.1	112.3	S175 T176 M177 A181 T182 G183	S175-R179 WeakPolarHBondContact O-CG 3.41Å; S175-R179 PolarHBondContact O-N 3.32Å; S175-R179 VanDerWaalsContact O-N 3.15Å; T176-R179 WeakPolarHBondContact O-CB 3.26Å; T176-R179 PolarHBondContact O-N 3.39Å; M177-R179 VanDerWaalsContact C-N 3.33Å; M177-R179 PolarHBondContact O-N 3.19Å; R179-A181 VanDerWaalsContact C-N 3.29Å; R179-A181 PolarHBondContact O-N 3.38Å; R179-T182 CarbonylContact O-C 3.54Å; R179-T182 PolarHBondContact O-N 3.31Å; R179-G183 PolarHBondContact O-N 2.96Å
180	S	56.6	Low	60.5	Low	92 Å²	92	101.4 Å²	101.4	64%	0.643	60%	0.595	S	S	*	*	H	α-helix	trans	-63.5	-35	176.7	-58.5	0	0	0	0	112.4	T176 M177	T176-S180 PolarHBondContact O-N 3.11Å; T176-S180 PolarHBondContact O-OG 2.99Å; M177-S180 PolarHBondContact O-N 3.49Å
181	A	50.8	Low	59.1	Low	89 Å²	89	107.1 Å²	107.1	74%	0.736	66%	0.659	S	S	*	*	H	α-helix	trans	-73.3	-28.6	175.9	0	0	0	0	0	113.6	M177 R179	M177-A181 PolarHBondContact O-N 2.87Å; R179-A181 VanDerWaalsContact C-N 3.29Å; R179-A181 PolarHBondContact O-N 3.38Å
182	T	49.4	Very low	57.9	Low	112 Å²	112	112.5 Å²	112.5	69%	0.687	69%	0.692	S	S	*	*	H	α-helix	trans	-94.9	-0.9	177.7	-35.3	0	0	0	0	112.3	Q178 R179 T184	Q178-T182 PolarHBondContact O-N 2.84Å; Q178-T182 PolarHBondContact O-OG1 3.05Å; R179-T182 CarbonylContact O-C 3.54Å; R179-T182 PolarHBondContact O-N 3.31Å; T182-T184 PolarHBondContact O-N 2.92Å
183	G	45.1	Very low	56.5	Low	59 Å²	59	116.4 Å²	116.4	61%	0.608	71%	0.712	S	S	*	*			trans	-72.5	60.5	176	0	0	0	0	0	112.8	R179	R179-G183 PolarHBondContact O-N 2.96Å
184	T	42.5	Very low	55	Low	132 Å²	132	115.4 Å²	115.4	81%	0.81	72%	0.719	S	S	*	*			trans	-77.2	120.1	142.3	-67.8	0	0	0	0	107.2	T182	T182-T184 PolarHBondContact O-N 2.92Å
185	S	44.9	Very low	53.6	Low	92 Å²	92	118.4 Å²	118.4	64%	0.643	74%	0.743	S	S	*	*			trans	81.3	92.8	160.1	-152.8	0	0	0	0	118.9
186	S	50.3	Low	52.5	Low	121 Å²	121	123 Å²	123	85%	0.846	77%	0.77	S	S	*	*			trans	-123.1	72.7	130.5	57.2	0	0	0	0	108.4	S188	S186-S188 PolarHBondContact O-N 3.11Å
187	R	46.2	Very low	51.1	Low	236 Å²	236	125.4 Å²	125.4	89%	0.891	79%	0.786	S	S	*	*			trans	-78.6	98	153.7	-52.9	-178.6	-168.6	-179.5	3.2	105.3
188	S	51.1	Low	50	Low	97 Å²	97	126.7 Å²	126.7	68%	0.678	80%	0.804	S	S	*	*			trans	-152.2	108.1	172.3	177.6	0	0	0	0	109.4	S186	S186-S188 PolarHBondContact O-N 3.11Å
189	M	44.5	Very low	49.3	Very low	189 Å²	189	128 Å²	128	93%	0.931	83%	0.827	S	S	*	*			trans	76.5	113.6	152.2	-62.4	-89.9	-86.1	0	0	119.1
190	G	53.3	Low	48.8	Very low	89 Å²	89	121.9 Å²	121.9	92%	0.918	83%	0.832	S	S	*	*			trans	155	77.6	156.3	0	0	0	0	0	114.1
191	G	51.6	Low	48.1	Very low	155 Å²	155	124.6 Å²	124.6	100%	1.598	85%	0.85	S	S	*	*			trans	174.7	0	172.6	0	0	0	0	0	111.8

Retrieved 191 of 191 residues in 33 ms (Link to these results)

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