G4LWC0_SCHMA Loading...

Arginine/serine-rich splicing factor, putative

AlphaFold DB , UniProt , Accession G4LWC0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 171 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	32.9	Very low	51.5	Low	240 Å²	240	120.7 Å²	120.7	100%	1.182	61%	0.607	S	S	*	*				0	115.3	0	-63.4	82.3	171.5	0	0	108.6
2	A	36.2	Very low	54.3	Low	103 Å²	103	110.7 Å²	110.7	85%	0.851	56%	0.556	S	S	*	*			trans	166.2	150.1	161	0	0	0	0	0	109
3	A	38.7	Very low	56.6	Low	94 Å²	94	107.8 Å²	107.8	78%	0.777	54%	0.536	S	S	*	.			trans	86.4	81.5	165.9	0	0	0	0	0	117.6
4	R	40.7	Very low	58.4	Low	248 Å²	248	100.1 Å²	100.1	94%	0.936	50%	0.497	S	S	*	.			trans	-145.9	9.4	151.6	-74.9	-147.6	167.3	155.8	2.3	118.4	R6	R4-R6 PolarHBondContact O-N 3.24Å
5	Y	42	Very low	59.9	Low	181 Å²	181	93.4 Å²	93.4	71%	0.71	46%	0.464	S	S	*	.			trans	-86.2	64.1	167.6	-159	-93.4	0	0	0	110.8
6	R	47.3	Very low	60.9	Low	218 Å²	218	93.8 Å²	93.8	82%	0.823	47%	0.469	S	S	*	.	S	Bend	trans	-103.4	137.5	151.8	-86	177.4	153.9	169.9	-6.5	104.4	R4 V8	R4-R6 PolarHBondContact O-N 3.24Å; R6-V8 HydrophobicContact CB-CG2 3.73Å; R6-V8 WeakPolarHBondContact O-CG2 3.2Å; R6-V8 PolarHBondContact O-N 3.44Å
7	D	54.2	Low	61.7	Low	78 Å²	78	89.1 Å²	89.1	42%	0.417	45%	0.445	S	S	.	.	S	Bend	trans	-54.1	60.1	178.4	-169.7	-109.8	0	0	0	113.3	T10	D7-T10 PolarHBondContact OD2-OG1 2.75Å
8	V	56	Low	62	Low	67 Å²	67	85.3 Å²	85.3	41%	0.406	43%	0.428	S	S	.	.	S	Bend	trans	-110.1	7.6	-170.4	-135.7	0	0	0	0	113.5	R6 G83	R6-V8 HydrophobicContact CB-CG2 3.73Å; R6-V8 WeakPolarHBondContact O-CG2 3.2Å; R6-V8 PolarHBondContact O-N 3.44Å; V8-G83 WeakPolarHBondContact CG1-O 3.01Å
9	G	61.7	Low	62.3	Low	21 Å²	21	93.8 Å²	93.8	22%	0.216	46%	0.455	C	S	.	.	S	Bend	trans	-154.3	0.7	179.7	0	0	0	0	0	115.5	A56 A59	G9-A56 VanDerWaalsContact O-CA 3.31Å; G9-A56 WeakPolarHBondContact O-CA 3.06Å; G9-A56 WeakPolarHBondContact O-CB 3.49Å; G9-A59 VanDerWaalsContact O-CB 3.24Å; G9-A59 WeakPolarHBondContact O-CB 3.48Å
10	T	73.8	Confident	62.6	Low	10 Å²	10	97.2 Å²	97.2	6%	0.061	47%	0.469	C	S	.	.	S	Bend	trans	-87.8	-27.3	-179.1	39.5	0	0	0	0	112.4	D7 E52 F53 A56	D7-T10 PolarHBondContact OD2-OG1 2.75Å; T10-E52 CarbonylContact O-C 3.56Å; T10-E52 WeakPolarHBondContact O-CA 3.22Å; T10-F53 VanDerWaalsContact CB-O 3.22Å; T10-F53 WeakPolarHBondContact CB-O 3.48Å; T10-F53 VanDerWaalsContact CG2-O 3.25Å; T10-F53 WeakPolarHBondContact CG2-O 3.49Å; T10-F53 PolarHBondContact O-N 2.77Å; T10-A56 HydrophobicContact CG2-CB 4.43Å
11	K	83.6	Confident	62.8	Low	68 Å²	68	93.2 Å²	93.2	30%	0.296	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.8	-179.6	-177	174.5	-80.8	-166.8	0	112	F50 V51 S81	K11-F50 HydrophobicContact CD-CD1 3.95Å; K11-F50 HydrophobicContact CG-CD1 4.22Å; K11-V51 CarbonylContact C-O 3.59Å; K11-V51 WeakPolarHBondContact CA-O 3.38Å; K11-S81 WeakPolarHBondContact O-CA 3.01Å; K11-S81 WeakPolarHBondContact O-CB 3.12Å; K11-S81 PolarHBondContact O-N 3.15Å
12	V	84.4	Confident	64.8	Low	0 Å²	0	84.9 Å²	84.9	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.4	174.7	176.9	0	0	0	0	109	I14 F30 F50 V51 F53 A59 V63 V78 L80	V12-I14 HydrophobicContact CG1-CG1 4.22Å; V12-F30 HydrophobicContact CG1-CE1 3.91Å; V12-F50 CarbonylContact O-C 3.29Å; V12-F50 VanDerWaalsContact O-CA 3.26Å; V12-F50 WeakPolarHBondContact O-CA 3.26Å; V12-V51 HydrophobicContact CB-CB 4.33Å; V12-V51 PolarHBondContact N-O 3.41Å; V12-V51 PolarHBondContact O-N 3.15Å; V12-F53 HydrophobicContact CB-CE2 4.36Å; V12-F53 HydrophobicContact CG2-CD2 3.76Å; V12-F53 HydrophobicContact CG2-CE2 3.68Å; V12-A59 HydrophobicContact CG2-CB 3.8Å; V12-V63 HydrophobicContact CB-CG2 4.1Å; V12-V63 HydrophobicContact CG1-CG2 3.45Å; V12-V63 VanDerWaalsContact CG1-CG2 3.45Å; V12-V63 HydrophobicContact CG2-CG2 3.54Å; V12-V78 HydrophobicContact CG1-CG1 3.32Å; V12-L80 HydrophobicContact CG2-CD2 4.26Å
13	Y	84.7	Confident	67.1	Low	73 Å²	73	84.1 Å²	84.1	29%	0.286	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	137.4	170.8	168.5	-97.9	0	0	0	109.4	F48 F50 V78 E79	Y13-F48 HydrophobicContact CE2-CB 3.8Å; Y13-F48 HydrophobicContact CE2-CD2 4.29Å; Y13-F48 HydrophobicContact CE2-CG 4.38Å; Y13-F50 HydrophobicContact CD2-CD1 4.15Å; Y13-F50 AromaticContact CD2-CE1 3.52Å; Y13-F50 HydrophobicContact CD2-CE1 3.52Å; Y13-F50 HydrophobicContact CD2-CE2 4.45Å; Y13-F50 AromaticContact CD2-CZ 3.7Å; Y13-F50 HydrophobicContact CD2-CZ 3.7Å; Y13-F50 HydrophobicContact CE2-CE1 4.48Å; Y13-F50 HydrophobicContact CE2-CZ 4.24Å; Y13-F50 HydrophobicContact CG-CE1 4.26Å; Y13-V78 CarbonylContact O-C 3.54Å; Y13-V78 WeakPolarHBondContact O-CA 3.1Å; Y13-E79 WeakPolarHBondContact CA-O 3.49Å; Y13-E79 WeakPolarHBondContact CB-O 3.19Å; Y13-E79 HydrophobicContact CD1-CB 4.13Å; Y13-E79 PolarHBondContact N-O 2.72Å; Y13-E79 PolarHBondContact O-N 2.94Å
14	I	82.1	Confident	69.2	Low	0 Å²	0	89.5 Å²	89.5	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.8	178.3	-51.7	159.9	0	0	0	106.3	V12 L17 L26 F30 F48 A49 V51 A76 R77 V78	V12-I14 HydrophobicContact CG1-CG1 4.22Å; I14-L17 HydrophobicContact CB-CD1 4.25Å; I14-L17 HydrophobicContact CG2-CD1 3.74Å; I14-L17 HydrophobicContact CG2-CD2 3.69Å; I14-L17 HydrophobicContact CG2-CG 3.74Å; I14-L26 HydrophobicContact CD1-CD1 4Å; I14-L26 HydrophobicContact CD1-CD2 4.1Å; I14-L26 HydrophobicContact CD1-CG 4.46Å; I14-L26 HydrophobicContact CG2-CD2 4.4Å; I14-F30 HydrophobicContact CD1-CD2 4.26Å; I14-F30 HydrophobicContact CD1-CE1 3.94Å; I14-F30 HydrophobicContact CD1-CE2 3.43Å; I14-F30 VanDerWaalsContact CD1-CE2 3.43Å; I14-F30 HydrophobicContact CD1-CZ 3.26Å; I14-F30 HydrophobicContact CG1-CE1 4.27Å; I14-F30 HydrophobicContact CG1-CE2 4.21Å; I14-F30 HydrophobicContact CG1-CZ 3.61Å; I14-F48 CarbonylContact O-C 3.48Å; I14-F48 WeakPolarHBondContact O-CA 3.44Å; I14-F48 WeakPolarHBondContact O-CB 3.44Å; I14-A49 HydrophobicContact CB-CB 4.29Å; I14-A49 HydrophobicContact CD1-CB 4.33Å; I14-A49 PolarHBondContact N-O 2.99Å; I14-A49 PolarHBondContact O-N 2.98Å; I14-V51 HydrophobicContact CD1-CB 4.3Å; I14-V51 HydrophobicContact CD1-CG2 3.49Å; I14-V51 VanDerWaalsContact CD1-CG2 3.49Å; I14-A76 HydrophobicContact CG2-CB 4.33Å; I14-R77 CarbonylContact C-O 3.45Å; I14-R77 VanDerWaalsContact CA-O 3.27Å; I14-R77 WeakPolarHBondContact CA-O 3.45Å; I14-V78 HydrophobicContact CG1-CG1 4.34Å; I14-V78 HydrophobicContact CG2-CG2 4.32Å
15	G	80.7	Confident	71.1	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	174	174.3	0	0	0	0	0	111.6	L17 G47 R77	G15-L17 VanDerWaalsContact C-N 3.26Å; G15-L17 PolarHBondContact O-N 3.02Å; G15-G47 CarbonylContact C-O 3.56Å; G15-R77 PolarHBondContact N-O 3.21Å; G15-R77 PolarHBondContact O-N 2.78Å
16	D	75.9	Confident	73.1	Confident	100 Å²	100	72.3 Å²	72.3	54%	0.535	33%	0.334	S	S	.	.	S	Bend	trans	60.1	34.9	175.5	-62.4	-85.3	0	0	0	113.4	G47 V74 R75 R77	D16-G47 PolarHBondContact N-O 2.82Å; D16-V74 WeakPolarHBondContact O-CG1 3.31Å; D16-R75 WeakPolarHBondContact CB-O 3.41Å; D16-R77 HydrophobicContact CB-CB 4.46Å
17	L	74.1	Confident	74.9	Confident	14 Å²	14	66 Å²	66	7%	0.073	31%	0.314	C	S	.	.			trans	-82.3	136.3	175.6	-70.1	176.6	0	0	0	111.5	I14 G15 A21 L26 G47 A49 A76	I14-L17 HydrophobicContact CB-CD1 4.25Å; I14-L17 HydrophobicContact CG2-CD1 3.74Å; I14-L17 HydrophobicContact CG2-CD2 3.69Å; I14-L17 HydrophobicContact CG2-CG 3.74Å; G15-L17 VanDerWaalsContact C-N 3.26Å; G15-L17 PolarHBondContact O-N 3.02Å; L17-A21 HydrophobicContact CB-CB 3.87Å; L17-A21 HydrophobicContact CD1-CB 4.47Å; L17-A21 HydrophobicContact CD2-CB 3.96Å; L17-A21 HydrophobicContact CG-CB 4.32Å; L17-L26 HydrophobicContact CD1-CD1 3.77Å; L17-L26 HydrophobicContact CD1-CD2 4.21Å; L17-L26 HydrophobicContact CD2-CD2 3.99Å; L17-G47 PolarHBondContact N-O 3.15Å; L17-G47 VanDerWaalsContact N-O 3.09Å; L17-G47 VanDerWaalsContact O-CA 3.24Å; L17-G47 WeakPolarHBondContact O-CA 3.21Å; L17-A49 HydrophobicContact CD1-CB 3.64Å; L17-A76 HydrophobicContact CD2-CB 3.89Å
18	P	67.2	Low	76.4	Confident	21 Å²	21	70.8 Å²	70.8	14%	0.136	33%	0.326	C	S	.	.			trans	-63.4	156.9	172	24.7	-29.9	0	0	0	110.2	E20 A21 C72 V74	P18-E20 PolarHBondContact O-N 2.75Å; P18-A21 HydrophobicContact CG-CB 3.9Å; P18-A21 WeakPolarHBondContact O-CB 3.47Å; P18-A21 PolarHBondContact O-N 2.8Å; P18-C72 HydrophobicContact CG-CB 3.95Å; P18-V74 HydrophobicContact CB-CG2 4.02Å; P18-V74 HydrophobicContact CG-CB 4.43Å; P18-V74 HydrophobicContact CG-CG2 4.24Å
19	R	67.7	Low	77.7	Confident	247 Å²	247	69.2 Å²	69.2	93%	0.932	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.8	176.2	-174.6	171	179.1	-95.4	1.7	113
20	E	68.2	Low	78.7	Confident	160 Å²	160	68.2 Å²	68.2	75%	0.748	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-18.5	178.7	-63	175.3	93.9	0	0	113.5	P18 S22	P18-E20 PolarHBondContact O-N 2.75Å; E20-S22 PolarHBondContact O-N 2.67Å; E20-S22 PolarHBondContact O-OG 3.03Å
21	A	67.6	Low	79.3	Confident	14 Å²	14	76.1 Å²	76.1	12%	0.116	33%	0.333	C	S	.	.			trans	-66.3	111.4	178.2	0	0	0	0	0	109.7	L17 P18	L17-A21 HydrophobicContact CB-CB 3.87Å; L17-A21 HydrophobicContact CD1-CB 4.47Å; L17-A21 HydrophobicContact CD2-CB 3.96Å; L17-A21 HydrophobicContact CG-CB 4.32Å; P18-A21 HydrophobicContact CG-CB 3.9Å; P18-A21 WeakPolarHBondContact O-CB 3.47Å; P18-A21 PolarHBondContact O-N 2.8Å
22	S	75	Confident	79.2	Confident	65 Å²	65	80.7 Å²	80.7	46%	0.455	36%	0.356	S	S	.	.			trans	-101.1	155	-178.6	-64.6	0	0	0	0	110.1	E20 R24 E25 L26	E20-S22 PolarHBondContact O-N 2.67Å; E20-S22 PolarHBondContact O-OG 3.03Å; S22-R24 PolarHBondContact O-N 3.19Å; S22-E25 PolarHBondContact O-N 3.28Å; S22-L26 PolarHBondContact O-N 2.61Å
23	E	83.6	Confident	79.1	Confident	88 Å²	88	83.9 Å²	83.9	41%	0.411	37%	0.368	S	S	.	.	H	α-helix	trans	-45.8	-39.8	173	-176.1	179.1	85.7	0	0	112.5	E25 L26 E27 V39 V41	E23-E25 VanDerWaalsContact C-N 3.3Å; E23-E25 PolarHBondContact O-N 2.73Å; E23-L26 PolarHBondContact O-N 2.72Å; E23-E27 VanDerWaalsContact O-CB 3.3Å; E23-E27 WeakPolarHBondContact O-CB 3.44Å; E23-E27 PolarHBondContact O-N 3.25Å; E23-V39 HydrophobicContact CG-CB 3.9Å; E23-V39 HydrophobicContact CG-CG1 3.59Å; E23-V41 VanDerWaalsContact CA-CG2 3.4Å; E23-V41 HydrophobicContact CB-CB 4.46Å; E23-V41 HydrophobicContact CB-CG2 3.54Å; E23-V41 HydrophobicContact CG-CG2 4.15Å
24	R	83.2	Confident	78.9	Confident	206 Å²	206	81 Å²	81	78%	0.777	36%	0.361	S	S	*	.	H	α-helix	trans	-61.1	-35.2	-179.7	-55.4	-178.7	97.8	-178	7.9	113.5	S22 R28	S22-R24 PolarHBondContact O-N 3.19Å; R24-R28 WeakPolarHBondContact O-CB 3.25Å; R24-R28 PolarHBondContact O-N 3.4Å
25	E	81	Confident	79	Confident	66 Å²	66	89.2 Å²	89.2	31%	0.308	39%	0.392	S	S	.	.	H	α-helix	trans	-75.2	-44.3	179.8	-169.7	59.8	-155.9	0	0	110.1	S22 E23 E27 R28 I29	S22-E25 PolarHBondContact O-N 3.28Å; E23-E25 VanDerWaalsContact C-N 3.3Å; E23-E25 PolarHBondContact O-N 2.73Å; E25-E27 VanDerWaalsContact C-N 3.33Å; E25-E27 PolarHBondContact O-N 2.81Å; E25-R28 PolarHBondContact O-N 2.84Å; E25-R28 IonicContact OE2-NH1 3.69Å; E25-I29 HydrophobicContact CG-CD1 3.94Å; E25-I29 VanDerWaalsContact O-CG1 3.28Å; E25-I29 WeakPolarHBondContact O-CG1 3.22Å; E25-I29 PolarHBondContact O-N 2.74Å
26	L	82.6	Confident	79.2	Confident	2 Å²	2	91.3 Å²	91.3	1%	0.01	40%	0.403	C	S	.	.	H	α-helix	trans	-61.6	-44.2	173.7	-56.5	177.3	0	0	0	110.7	I14 L17 S22 E23 R28 I29 F30 V41 A49 M71	I14-L26 HydrophobicContact CD1-CD1 4Å; I14-L26 HydrophobicContact CD1-CD2 4.1Å; I14-L26 HydrophobicContact CD1-CG 4.46Å; I14-L26 HydrophobicContact CG2-CD2 4.4Å; L17-L26 HydrophobicContact CD1-CD1 3.77Å; L17-L26 HydrophobicContact CD1-CD2 4.21Å; L17-L26 HydrophobicContact CD2-CD2 3.99Å; S22-L26 PolarHBondContact O-N 2.61Å; E23-L26 PolarHBondContact O-N 2.72Å; L26-R28 VanDerWaalsContact C-N 3.32Å; L26-R28 PolarHBondContact O-N 3.49Å; L26-I29 PolarHBondContact O-N 2.73Å; L26-F30 HydrophobicContact CB-CD2 4.18Å; L26-F30 HydrophobicContact CB-CE2 4.43Å; L26-F30 HydrophobicContact CD2-CE2 4.05Å; L26-F30 VanDerWaalsContact O-CB 3.23Å; L26-F30 WeakPolarHBondContact O-CB 3.37Å; L26-F30 WeakPolarHBondContact O-CD2 3.45Å; L26-F30 PolarHBondContact O-N 2.84Å; L26-V41 HydrophobicContact CD1-CG2 3.96Å; L26-A49 HydrophobicContact CD1-CB 3.24Å; L26-M71 HydrophobicContact CD2-SD 4.27Å
27	E	86.5	Confident	79.7	Confident	87 Å²	87	93.4 Å²	93.4	41%	0.407	40%	0.403	S	S	.	.	H	α-helix	trans	-57.5	-47.6	175.7	-174.4	-171.8	86.7	0	0	110.7	E23 E25 I29 R31 L36 V39	E23-E27 VanDerWaalsContact O-CB 3.3Å; E23-E27 WeakPolarHBondContact O-CB 3.44Å; E23-E27 PolarHBondContact O-N 3.25Å; E25-E27 VanDerWaalsContact C-N 3.33Å; E25-E27 PolarHBondContact O-N 2.81Å; E27-I29 PolarHBondContact O-N 3.37Å; E27-R31 WeakPolarHBondContact O-CB 3.33Å; E27-R31 PolarHBondContact O-N 2.7Å; E27-L36 HydrophobicContact CB-CD1 4.33Å; E27-L36 HydrophobicContact CG-CD1 3.89Å; E27-L36 WeakPolarHBondContact O-CD1 3.04Å; E27-V39 HydrophobicContact CB-CG2 4.39Å
28	R	85.3	Confident	80.3	Confident	177 Å²	177	97.4 Å²	97.4	67%	0.668	43%	0.425	S	S	*	.	H	α-helix	trans	-60.2	-48.7	179.5	-178.4	-176.1	-70.2	164.7	-5.9	112.2	R24 E25 L26	R24-R28 WeakPolarHBondContact O-CB 3.25Å; R24-R28 PolarHBondContact O-N 3.4Å; E25-R28 PolarHBondContact O-N 2.84Å; E25-R28 IonicContact OE2-NH1 3.69Å; L26-R28 VanDerWaalsContact C-N 3.32Å; L26-R28 PolarHBondContact O-N 3.49Å
29	I	82.5	Confident	81.2	Confident	34 Å²	34	97.1 Å²	97.1	17%	0.174	42%	0.423	C	S	.	.	H	α-helix	trans	-67.7	-52	-177.1	-65	167.6	0	0	0	110.1	E25 L26 E27 R31 E32 Y33 L66 M71	E25-I29 HydrophobicContact CG-CD1 3.94Å; E25-I29 VanDerWaalsContact O-CG1 3.28Å; E25-I29 WeakPolarHBondContact O-CG1 3.22Å; E25-I29 PolarHBondContact O-N 2.74Å; L26-I29 PolarHBondContact O-N 2.73Å; E27-I29 PolarHBondContact O-N 3.37Å; I29-R31 VanDerWaalsContact C-N 3.28Å; I29-R31 PolarHBondContact O-N 2.75Å; I29-E32 WeakPolarHBondContact O-CB 3.07Å; I29-E32 PolarHBondContact O-N 2.87Å; I29-Y33 HydrophobicContact CG2-CE2 4.37Å; I29-Y33 VanDerWaalsContact O-CD2 3.29Å; I29-Y33 WeakPolarHBondContact O-CD2 3.24Å; I29-L66 HydrophobicContact CG2-CD1 3.74Å; I29-L66 HydrophobicContact CG2-CD2 3.36Å; I29-L66 HydrophobicContact CG2-CG 4.19Å; I29-M71 HydrophobicContact CD1-CE 4.12Å; I29-M71 HydrophobicContact CD1-CG 4.1Å; I29-M71 HydrophobicContact CD1-SD 3.72Å; I29-M71 HydrophobicContact CG2-CE 3.99Å
30	F	83.5	Confident	82	Confident	0 Å²	0	92.1 Å²	92.1	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-70.5	-25.7	-174.8	-74.3	-103.3	0	0	0	112.2	V12 I14 L26 E32 Y33 G34 L36 V51 F53 A62 L66 M71 V78	V12-F30 HydrophobicContact CG1-CE1 3.91Å; I14-F30 HydrophobicContact CD1-CD2 4.26Å; I14-F30 HydrophobicContact CD1-CE1 3.94Å; I14-F30 HydrophobicContact CD1-CE2 3.43Å; I14-F30 VanDerWaalsContact CD1-CE2 3.43Å; I14-F30 HydrophobicContact CD1-CZ 3.26Å; I14-F30 HydrophobicContact CG1-CE1 4.27Å; I14-F30 HydrophobicContact CG1-CE2 4.21Å; I14-F30 HydrophobicContact CG1-CZ 3.61Å; L26-F30 HydrophobicContact CB-CD2 4.18Å; L26-F30 HydrophobicContact CB-CE2 4.43Å; L26-F30 HydrophobicContact CD2-CE2 4.05Å; L26-F30 VanDerWaalsContact O-CB 3.23Å; L26-F30 WeakPolarHBondContact O-CB 3.37Å; L26-F30 WeakPolarHBondContact O-CD2 3.45Å; L26-F30 PolarHBondContact O-N 2.84Å; F30-E32 PolarHBondContact O-N 3.18Å; F30-Y33 PolarHBondContact O-N 2.89Å; F30-G34 PolarHBondContact O-N 3.16Å; F30-L36 HydrophobicContact CB-CD1 4.1Å; F30-L36 HydrophobicContact CB-CD2 3.58Å; F30-L36 HydrophobicContact CB-CG 4.46Å; F30-V51 HydrophobicContact CB-CG1 4.23Å; F30-V51 HydrophobicContact CD1-CB 4.25Å; F30-V51 HydrophobicContact CD1-CG1 4.01Å; F30-V51 HydrophobicContact CD1-CG2 4.2Å; F30-V51 HydrophobicContact CD2-CG2 4.38Å; F30-V51 HydrophobicContact CG-CG1 4.26Å; F30-V51 HydrophobicContact CG-CG2 4.13Å; F30-F53 HydrophobicContact CB-CZ 3.95Å; F30-F53 AromaticContact CD1-CE2 3.7Å; F30-F53 HydrophobicContact CD1-CE2 3.7Å; F30-F53 AromaticContact CD1-CZ 3.61Å; F30-F53 HydrophobicContact CD1-CZ 3.61Å; F30-F53 HydrophobicContact CE1-CE2 4.44Å; F30-F53 HydrophobicContact CG-CZ 4.29Å; F30-A62 HydrophobicContact CD1-CB 4.37Å; F30-L66 HydrophobicContact CD1-CD1 3.74Å; F30-L66 HydrophobicContact CD2-CD1 3.87Å; F30-L66 HydrophobicContact CE1-CD1 3.57Å; F30-L66 HydrophobicContact CE2-CD1 3.76Å; F30-L66 HydrophobicContact CG-CD1 3.88Å; F30-L66 HydrophobicContact CZ-CB 4.44Å; F30-L66 HydrophobicContact CZ-CD1 3.59Å; F30-M71 HydrophobicContact CE2-CE 4.35Å; F30-V78 HydrophobicContact CE1-CG1 3.97Å; F30-V78 HydrophobicContact CZ-CG1 3.94Å; F30-V78 HydrophobicContact CZ-CG2 4.09Å
31	R	85.2	Confident	82.8	Confident	177 Å²	177	85.8 Å²	85.8	67%	0.668	38%	0.376	S	S	*	.	H	α-helix	trans	-66.8	-23.3	174.2	-179.3	175.8	-178.3	176.8	1.3	113.4	E27 I29 Y33 G34 L36	E27-R31 WeakPolarHBondContact O-CB 3.33Å; E27-R31 PolarHBondContact O-N 2.7Å; I29-R31 VanDerWaalsContact C-N 3.28Å; I29-R31 PolarHBondContact O-N 2.75Å; R31-Y33 VanDerWaalsContact C-N 3.3Å; R31-G34 WeakPolarHBondContact CA-O 3.42Å; R31-L36 HydrophobicContact CB-CD1 4.04Å
32	E	82.9	Confident	83.4	Confident	164 Å²	164	85.5 Å²	85.5	77%	0.766	37%	0.373	S	S	*	.	H	α-helix	trans	-68.4	-32.5	175.5	-172.1	166.1	81.9	0	0	111.8	I29 F30	I29-E32 WeakPolarHBondContact O-CB 3.07Å; I29-E32 PolarHBondContact O-N 2.87Å; F30-E32 PolarHBondContact O-N 3.18Å
33	Y	81	Confident	83.1	Confident	66 Å²	66	92.9 Å²	92.9	26%	0.259	39%	0.391	S	S	.	.	H	α-helix	trans	-87.5	-28.2	-178.8	-63.4	-89.7	0	0	0	113.4	I29 F30 R31 A62 E65 L66	I29-Y33 HydrophobicContact CG2-CE2 4.37Å; I29-Y33 VanDerWaalsContact O-CD2 3.29Å; I29-Y33 WeakPolarHBondContact O-CD2 3.24Å; F30-Y33 PolarHBondContact O-N 2.89Å; R31-Y33 VanDerWaalsContact C-N 3.3Å; Y33-A62 HydrophobicContact CD1-CB 4.41Å; Y33-A62 HydrophobicContact CD2-CB 4.39Å; Y33-A62 HydrophobicContact CG-CB 3.89Å; Y33-E65 HydrophobicContact CD1-CB 4.41Å; Y33-E65 HydrophobicContact CE1-CB 3.51Å; Y33-E65 HydrophobicContact CE1-CG 3.92Å; Y33-L66 HydrophobicContact CD2-CD1 3.83Å; Y33-L66 HydrophobicContact CD2-CD2 4.45Å; Y33-L66 HydrophobicContact CD2-CG 4.22Å; Y33-L66 HydrophobicContact CE2-CD1 3.74Å; Y33-L66 HydrophobicContact CE2-CD2 3.52Å; Y33-L66 HydrophobicContact CE2-CG 3.68Å
34	G	81.1	Confident	82.2	Confident	13 Å²	13	95.9 Å²	95.9	13%	0.134	41%	0.41	C	S	.	.	S	Bend	trans	-177.8	179.8	-179.1	0	0	0	0	0	114.8	F30 R31 L36	F30-G34 PolarHBondContact O-N 3.16Å; R31-G34 WeakPolarHBondContact CA-O 3.42Å; G34-L36 PolarHBondContact O-N 2.7Å
35	R	83.6	Confident	81.4	Confident	173 Å²	173	90 Å²	90	65%	0.653	40%	0.399	S	S	*	.			trans	-77.7	123.3	178.7	-69.3	178.4	-179.2	-172.2	1.6	110.7	F53 E54	R35-F53 CarbonylContact O-C 3.52Å; R35-F53 WeakPolarHBondContact O-CA 3.27Å; R35-E54 HydrophobicContact CB-CB 3.94Å; R35-E54 WeakPolarHBondContact CD-OE1 3.14Å; R35-E54 IonicContact NH1-OE1 2.79Å; R35-E54 PolarHBondContact NH1-OE1 3.27Å; R35-E54 PolarHBondContact O-N 3.46Å
36	L	86	Confident	80.7	Confident	43 Å²	43	91.7 Å²	91.7	23%	0.225	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.3	176.3	-48.9	174.3	0	0	0	109.1	E27 F30 R31 G34 V39 V51 E52 F53	E27-L36 HydrophobicContact CB-CD1 4.33Å; E27-L36 HydrophobicContact CG-CD1 3.89Å; E27-L36 WeakPolarHBondContact O-CD1 3.04Å; F30-L36 HydrophobicContact CB-CD1 4.1Å; F30-L36 HydrophobicContact CB-CD2 3.58Å; F30-L36 HydrophobicContact CB-CG 4.46Å; R31-L36 HydrophobicContact CB-CD1 4.04Å; G34-L36 PolarHBondContact O-N 2.7Å; L36-V39 HydrophobicContact CB-CG2 4.41Å; L36-V39 HydrophobicContact CD1-CG2 3.99Å; L36-V51 HydrophobicContact CD2-CG1 3.44Å; L36-V51 VanDerWaalsContact CD2-CG1 3.44Å; L36-E52 CarbonylContact C-O 3.54Å; L36-F53 HydrophobicContact CD2-CD1 3.87Å; L36-F53 HydrophobicContact CD2-CD2 4.44Å; L36-F53 HydrophobicContact CD2-CE1 3.52Å; L36-F53 HydrophobicContact CD2-CE2 4.13Å; L36-F53 HydrophobicContact CD2-CG 4.33Å; L36-F53 HydrophobicContact CD2-CZ 3.68Å
37	R	86.1	Confident	80.2	Confident	144 Å²	144	92.6 Å²	92.6	54%	0.543	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-41.2	171.5	-178.9	165.1	-179.8	-142.5	13.3	111.6	E52	R37-E52 WeakPolarHBondContact CA-O 2.88Å; R37-E52 HydrophobicContact CB-CB 4.37Å; R37-E52 HydrophobicContact CB-CG 4.19Å; R37-E52 WeakPolarHBondContact CD-OE1 3.41Å; R37-E52 WeakPolarHBondContact CG-OE1 3.19Å; R37-E52 IonicContact CZ-OE1 3.73Å; R37-E52 PolarHBondContact N-O 3.39Å; R37-E52 IonicContact NE-OE1 3.37Å; R37-E52 PolarHBondContact NE-OE1 2.86Å; R37-E52 IonicContact NH1-OE1 3.5Å; R37-E52 PolarHBondContact NH1-OE1 2.79Å
38	N	85.8	Confident	80	Confident	98 Å²	98	90.1 Å²	90.1	52%	0.524	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	143.9	179.2	-162.3	12.4	0	0	0	111.3	E52	N38-E52 HydrophobicContact CB-CB 4.11Å; N38-E52 PolarHBondContact N-O 2.87Å; N38-E52 VanDerWaalsContact N-O 3.16Å; N38-E52 PolarHBondContact O-N 2.78Å
39	V	86.8	Confident	80	Confident	16 Å²	16	81.7 Å²	81.7	10%	0.097	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.2	171.6	-171.3	0	0	0	0	107.8	E23 E27 L36 V51	E23-V39 HydrophobicContact CG-CB 3.9Å; E23-V39 HydrophobicContact CG-CG1 3.59Å; E27-V39 HydrophobicContact CB-CG2 4.39Å; L36-V39 HydrophobicContact CB-CG2 4.41Å; L36-V39 HydrophobicContact CD1-CG2 3.99Å; V39-V51 HydrophobicContact CG1-CG2 4.01Å; V39-V51 HydrophobicContact CG2-CG2 4.42Å
40	W	85.1	Confident	80.2	Confident	141 Å²	141	82 Å²	82	53%	0.534	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	108.4	179.8	179.7	49	0	0	0	110.6	A42 A49 F50	W40-A42 HydrophobicContact CH2-CB 4.47Å; W40-A42 HydrophobicContact CZ2-CB 4.37Å; W40-A49 CarbonylContact O-C 3.58Å; W40-A49 WeakPolarHBondContact O-CA 3.42Å; W40-F50 HydrophobicContact CD2-CD2 4.39Å; W40-F50 HydrophobicContact CE3-CB 4.21Å; W40-F50 AromaticContact CE3-CD2 3.3Å; W40-F50 HydrophobicContact CE3-CD2 3.3Å; W40-F50 AromaticContact CE3-CE2 3.95Å; W40-F50 HydrophobicContact CE3-CE2 3.95Å; W40-F50 HydrophobicContact CE3-CG 4.07Å; W40-F50 AromaticContact CZ3-CD2 3.46Å; W40-F50 HydrophobicContact CZ3-CD2 3.46Å; W40-F50 VanDerWaalsContact CZ3-CD2 3.46Å; W40-F50 AromaticContact CZ3-CE2 3.57Å; W40-F50 HydrophobicContact CZ3-CE2 3.57Å; W40-F50 HydrophobicContact CZ3-CG 4.45Å; W40-F50 PolarHBondContact N-O 3.12Å; W40-F50 PolarHBondContact O-N 3.12Å
41	V	83.9	Confident	80.3	Confident	28 Å²	28	82 Å²	82	17%	0.17	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.4	174.7	-178.8	0	0	0	0	110.1	E23 L26 A49	E23-V41 VanDerWaalsContact CA-CG2 3.4Å; E23-V41 HydrophobicContact CB-CB 4.46Å; E23-V41 HydrophobicContact CB-CG2 3.54Å; E23-V41 HydrophobicContact CG-CG2 4.15Å; L26-V41 HydrophobicContact CD1-CG2 3.96Å; V41-A49 HydrophobicContact CB-CB 4.37Å; V41-A49 HydrophobicContact CG1-CB 4.45Å; V41-A49 HydrophobicContact CG2-CB 3.92Å
42	A	79.8	Confident	80.3	Confident	7 Å²	7	75 Å²	75	6%	0.058	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.2	177.4	0	0	0	0	0	110.5	W40 F48	W40-A42 HydrophobicContact CH2-CB 4.47Å; W40-A42 HydrophobicContact CZ2-CB 4.37Å; A42-F48 HydrophobicContact CB-CD1 4Å; A42-F48 HydrophobicContact CB-CD2 3.36Å; A42-F48 HydrophobicContact CB-CE1 3.59Å; A42-F48 HydrophobicContact CB-CE2 2.92Å; A42-F48 HydrophobicContact CB-CG 3.9Å; A42-F48 HydrophobicContact CB-CZ 3.06Å; A42-F48 PolarHBondContact N-O 3.43Å; A42-F48 VanDerWaalsContact O-O 3.06Å
43	R	69	Low	80.4	Confident	221 Å²	221	67.1 Å²	67.1	83%	0.834	32%	0.32	S	S	*	.			trans	-98.8	-4.7	-177.3	-60	-177.5	-177.5	-167.2	0.2	113	P45	R43-P45 CarbonylContact C-O 3.44Å; R43-P45 VanDerWaalsContact C-O 3.29Å
44	N	65.6	Low	80.6	Confident	150 Å²	150	68.6 Å²	68.6	80%	0.802	33%	0.329	S	S	*	.	S	Bend	trans	-149.2	98.5	-175.7	-166	56.4	0	0	0	112.3
45	P	66.4	Low	80.6	Confident	83 Å²	83	72 Å²	72	54%	0.539	34%	0.344	S	S	.	.	S	Bend	cis	-57.9	155.6	-2.2	12.7	-21	0	0	0	116.3	R43 F48	R43-P45 CarbonylContact C-O 3.44Å; R43-P45 VanDerWaalsContact C-O 3.29Å; P45-F48 HydrophobicContact CB-CD1 4.44Å; P45-F48 HydrophobicContact CB-CE1 3.96Å; P45-F48 HydrophobicContact CG-CD1 4.1Å; P45-F48 HydrophobicContact CG-CE1 3.39Å; P45-F48 HydrophobicContact CG-CZ 4.13Å; P45-F48 WeakPolarHBondContact O-CD1 3.42Å; P45-F48 WeakPolarHBondContact O-CE1 3.41Å
46	P	66.7	Low	80.3	Confident	102 Å²	102	65.9 Å²	65.9	66%	0.662	33%	0.331	S	S	*	.	S	Bend	trans	-72.1	143.5	172.5	29.2	-33.3	0	0	0	110.9
47	G	71.7	Confident	80.1	Confident	21 Å²	21	67 Å²	67	22%	0.216	35%	0.346	C	S	.	.	S	Bend	trans	100.7	21.3	168.9	0	0	0	0	0	116.2	G15 D16 L17	G15-G47 CarbonylContact C-O 3.56Å; D16-G47 PolarHBondContact N-O 2.82Å; L17-G47 PolarHBondContact N-O 3.15Å; L17-G47 VanDerWaalsContact N-O 3.09Å; L17-G47 VanDerWaalsContact O-CA 3.24Å; L17-G47 WeakPolarHBondContact O-CA 3.21Å
48	F	81.9	Confident	79.9	Confident	35 Å²	35	62.7 Å²	62.7	15%	0.154	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.7	169.7	69.2	-77.2	0	0	0	113.8	Y13 I14 A42 P45 F50	Y13-F48 HydrophobicContact CE2-CB 3.8Å; Y13-F48 HydrophobicContact CE2-CD2 4.29Å; Y13-F48 HydrophobicContact CE2-CG 4.38Å; I14-F48 CarbonylContact O-C 3.48Å; I14-F48 WeakPolarHBondContact O-CA 3.44Å; I14-F48 WeakPolarHBondContact O-CB 3.44Å; A42-F48 HydrophobicContact CB-CD1 4Å; A42-F48 HydrophobicContact CB-CD2 3.36Å; A42-F48 HydrophobicContact CB-CE1 3.59Å; A42-F48 HydrophobicContact CB-CE2 2.92Å; A42-F48 HydrophobicContact CB-CG 3.9Å; A42-F48 HydrophobicContact CB-CZ 3.06Å; A42-F48 PolarHBondContact N-O 3.43Å; A42-F48 VanDerWaalsContact O-O 3.06Å; P45-F48 HydrophobicContact CB-CD1 4.44Å; P45-F48 HydrophobicContact CB-CE1 3.96Å; P45-F48 HydrophobicContact CG-CD1 4.1Å; P45-F48 HydrophobicContact CG-CE1 3.39Å; P45-F48 HydrophobicContact CG-CZ 4.13Å; P45-F48 WeakPolarHBondContact O-CD1 3.42Å; P45-F48 WeakPolarHBondContact O-CE1 3.41Å; F48-F50 HydrophobicContact CD2-CD2 4.25Å; F48-F50 AromaticContact CD2-CE2 3.59Å; F48-F50 HydrophobicContact CD2-CE2 3.59Å; F48-F50 HydrophobicContact CD2-CZ 4.28Å; F48-F50 AromaticContact CE2-CE2 3.7Å; F48-F50 HydrophobicContact CE2-CE2 3.7Å; F48-F50 HydrophobicContact CE2-CZ 4.49Å
49	A	84.9	Confident	79.8	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.4	175.6	0	0	0	0	0	110.5	I14 L17 L26 W40 V41	I14-A49 HydrophobicContact CB-CB 4.29Å; I14-A49 HydrophobicContact CD1-CB 4.33Å; I14-A49 PolarHBondContact N-O 2.99Å; I14-A49 PolarHBondContact O-N 2.98Å; L17-A49 HydrophobicContact CD1-CB 3.64Å; L26-A49 HydrophobicContact CD1-CB 3.24Å; W40-A49 CarbonylContact O-C 3.58Å; W40-A49 WeakPolarHBondContact O-CA 3.42Å; V41-A49 HydrophobicContact CB-CB 4.37Å; V41-A49 HydrophobicContact CG1-CB 4.45Å; V41-A49 HydrophobicContact CG2-CB 3.92Å
50	F	86.3	Confident	79.6	Confident	40 Å²	40	59.3 Å²	59.3	18%	0.175	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.1	173.5	-66	-86.4	0	0	0	109.1	K11 V12 Y13 W40 F48	K11-F50 HydrophobicContact CD-CD1 3.95Å; K11-F50 HydrophobicContact CG-CD1 4.22Å; V12-F50 CarbonylContact O-C 3.29Å; V12-F50 VanDerWaalsContact O-CA 3.26Å; V12-F50 WeakPolarHBondContact O-CA 3.26Å; Y13-F50 HydrophobicContact CD2-CD1 4.15Å; Y13-F50 AromaticContact CD2-CE1 3.52Å; Y13-F50 HydrophobicContact CD2-CE1 3.52Å; Y13-F50 HydrophobicContact CD2-CE2 4.45Å; Y13-F50 AromaticContact CD2-CZ 3.7Å; Y13-F50 HydrophobicContact CD2-CZ 3.7Å; Y13-F50 HydrophobicContact CE2-CE1 4.48Å; Y13-F50 HydrophobicContact CE2-CZ 4.24Å; Y13-F50 HydrophobicContact CG-CE1 4.26Å; W40-F50 HydrophobicContact CD2-CD2 4.39Å; W40-F50 HydrophobicContact CE3-CB 4.21Å; W40-F50 AromaticContact CE3-CD2 3.3Å; W40-F50 HydrophobicContact CE3-CD2 3.3Å; W40-F50 AromaticContact CE3-CE2 3.95Å; W40-F50 HydrophobicContact CE3-CE2 3.95Å; W40-F50 HydrophobicContact CE3-CG 4.07Å; W40-F50 AromaticContact CZ3-CD2 3.46Å; W40-F50 HydrophobicContact CZ3-CD2 3.46Å; W40-F50 VanDerWaalsContact CZ3-CD2 3.46Å; W40-F50 AromaticContact CZ3-CE2 3.57Å; W40-F50 HydrophobicContact CZ3-CE2 3.57Å; W40-F50 HydrophobicContact CZ3-CG 4.45Å; W40-F50 PolarHBondContact N-O 3.12Å; W40-F50 PolarHBondContact O-N 3.12Å; F48-F50 HydrophobicContact CD2-CD2 4.25Å; F48-F50 AromaticContact CD2-CE2 3.59Å; F48-F50 HydrophobicContact CD2-CE2 3.59Å; F48-F50 HydrophobicContact CD2-CZ 4.28Å; F48-F50 AromaticContact CE2-CE2 3.7Å; F48-F50 HydrophobicContact CE2-CE2 3.7Å; F48-F50 HydrophobicContact CE2-CZ 4.49Å
51	V	85.9	Confident	79.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.7	174	170.3	0	0	0	0	107.3	K11 V12 I14 F30 L36 V39 F53	K11-V51 CarbonylContact C-O 3.59Å; K11-V51 WeakPolarHBondContact CA-O 3.38Å; V12-V51 HydrophobicContact CB-CB 4.33Å; V12-V51 PolarHBondContact N-O 3.41Å; V12-V51 PolarHBondContact O-N 3.15Å; I14-V51 HydrophobicContact CD1-CB 4.3Å; I14-V51 HydrophobicContact CD1-CG2 3.49Å; I14-V51 VanDerWaalsContact CD1-CG2 3.49Å; F30-V51 HydrophobicContact CB-CG1 4.23Å; F30-V51 HydrophobicContact CD1-CB 4.25Å; F30-V51 HydrophobicContact CD1-CG1 4.01Å; F30-V51 HydrophobicContact CD1-CG2 4.2Å; F30-V51 HydrophobicContact CD2-CG2 4.38Å; F30-V51 HydrophobicContact CG-CG1 4.26Å; F30-V51 HydrophobicContact CG-CG2 4.13Å; L36-V51 HydrophobicContact CD2-CG1 3.44Å; L36-V51 VanDerWaalsContact CD2-CG1 3.44Å; V39-V51 HydrophobicContact CG1-CG2 4.01Å; V39-V51 HydrophobicContact CG2-CG2 4.42Å; V51-F53 HydrophobicContact CB-CE2 4.42Å; V51-F53 HydrophobicContact CG1-CD2 3.8Å; V51-F53 HydrophobicContact CG1-CE2 3.5Å; V51-F53 HydrophobicContact CG1-CZ 4.17Å
52	E	86.1	Confident	79.4	Confident	29 Å²	29	55.4 Å²	55.4	14%	0.136	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.5	172.6	-167.7	173.3	108.9	0	0	108	T10 L36 R37 N38	T10-E52 CarbonylContact O-C 3.56Å; T10-E52 WeakPolarHBondContact O-CA 3.22Å; L36-E52 CarbonylContact C-O 3.54Å; R37-E52 WeakPolarHBondContact CA-O 2.88Å; R37-E52 HydrophobicContact CB-CB 4.37Å; R37-E52 HydrophobicContact CB-CG 4.19Å; R37-E52 WeakPolarHBondContact CD-OE1 3.41Å; R37-E52 WeakPolarHBondContact CG-OE1 3.19Å; R37-E52 IonicContact CZ-OE1 3.73Å; R37-E52 PolarHBondContact N-O 3.39Å; R37-E52 IonicContact NE-OE1 3.37Å; R37-E52 PolarHBondContact NE-OE1 2.86Å; R37-E52 IonicContact NH1-OE1 3.5Å; R37-E52 PolarHBondContact NH1-OE1 2.79Å; N38-E52 HydrophobicContact CB-CB 4.11Å; N38-E52 PolarHBondContact N-O 2.87Å; N38-E52 VanDerWaalsContact N-O 3.16Å; N38-E52 PolarHBondContact O-N 2.78Å
53	F	85.4	Confident	79.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	154.9	174.3	-76.7	-95.3	0	0	0	111.2	T10 V12 F30 R35 L36 V51 D55 D58 A59 A62	T10-F53 VanDerWaalsContact CB-O 3.22Å; T10-F53 WeakPolarHBondContact CB-O 3.48Å; T10-F53 VanDerWaalsContact CG2-O 3.25Å; T10-F53 WeakPolarHBondContact CG2-O 3.49Å; T10-F53 PolarHBondContact O-N 2.77Å; V12-F53 HydrophobicContact CB-CE2 4.36Å; V12-F53 HydrophobicContact CG2-CD2 3.76Å; V12-F53 HydrophobicContact CG2-CE2 3.68Å; F30-F53 HydrophobicContact CB-CZ 3.95Å; F30-F53 AromaticContact CD1-CE2 3.7Å; F30-F53 HydrophobicContact CD1-CE2 3.7Å; F30-F53 AromaticContact CD1-CZ 3.61Å; F30-F53 HydrophobicContact CD1-CZ 3.61Å; F30-F53 HydrophobicContact CE1-CE2 4.44Å; F30-F53 HydrophobicContact CG-CZ 4.29Å; R35-F53 CarbonylContact O-C 3.52Å; R35-F53 WeakPolarHBondContact O-CA 3.27Å; L36-F53 HydrophobicContact CD2-CD1 3.87Å; L36-F53 HydrophobicContact CD2-CD2 4.44Å; L36-F53 HydrophobicContact CD2-CE1 3.52Å; L36-F53 HydrophobicContact CD2-CE2 4.13Å; L36-F53 HydrophobicContact CD2-CG 4.33Å; L36-F53 HydrophobicContact CD2-CZ 3.68Å; V51-F53 HydrophobicContact CB-CE2 4.42Å; V51-F53 HydrophobicContact CG1-CD2 3.8Å; V51-F53 HydrophobicContact CG1-CE2 3.5Å; V51-F53 HydrophobicContact CG1-CZ 4.17Å; F53-D55 VanDerWaalsContact C-N 3.33Å; F53-D55 WeakPolarHBondContact CB-O 3.43Å; F53-D58 HydrophobicContact CD1-CB 3.99Å; F53-D58 HydrophobicContact CE1-CB 4.39Å; F53-A59 HydrophobicContact CB-CB 3.92Å; F53-A59 HydrophobicContact CD2-CB 3.6Å; F53-A59 HydrophobicContact CE2-CB 4.29Å; F53-A59 HydrophobicContact CG-CB 3.85Å; F53-A62 HydrophobicContact CE1-CB 4.21Å; F53-A62 HydrophobicContact CE2-CB 4.11Å; F53-A62 HydrophobicContact CZ-CB 3.5Å; F53-A62 VanDerWaalsContact CZ-CB 3.5Å
54	E	83.7	Confident	80.2	Confident	96 Å²	96	54.1 Å²	54.1	45%	0.449	30%	0.302	S	S	.	.	S	Bend	trans	-65.4	-41.5	168.1	-173.7	160.8	95	0	0	110.5	R35	R35-E54 HydrophobicContact CB-CB 3.94Å; R35-E54 WeakPolarHBondContact CD-OE1 3.14Å; R35-E54 IonicContact NH1-OE1 2.79Å; R35-E54 PolarHBondContact NH1-OE1 3.27Å; R35-E54 PolarHBondContact O-N 3.46Å
55	D	81.5	Confident	81.1	Confident	85 Å²	85	52.3 Å²	52.3	46%	0.455	29%	0.289	S	S	.	.			trans	-113.8	134.7	-177.4	-102	-76.3	0	0	0	112.6	F53 A57 D58 A59	F53-D55 VanDerWaalsContact C-N 3.33Å; F53-D55 WeakPolarHBondContact CB-O 3.43Å; D55-A57 VanDerWaalsContact C-N 3.28Å; D55-A57 PolarHBondContact O-N 3.38Å; D55-D58 HydrophobicContact CB-CB 4.21Å; D55-A59 PolarHBondContact O-N 2.88Å; D55-A59 VanDerWaalsContact O-N 3.12Å
56	A	78.6	Confident	81.6	Confident	45 Å²	45	48.5 Å²	48.5	37%	0.372	26%	0.264	S	S	.	.	H	α-helix	trans	-73	-23.7	176.8	0	0	0	0	0	112.8	G9 T10 S60	G9-A56 VanDerWaalsContact O-CA 3.31Å; G9-A56 WeakPolarHBondContact O-CA 3.06Å; G9-A56 WeakPolarHBondContact O-CB 3.49Å; T10-A56 HydrophobicContact CG2-CB 4.43Å; A56-S60 PolarHBondContact O-N 3.36Å; A56-S60 VanDerWaalsContact O-N 3.15Å
57	A	81	Confident	82.2	Confident	66 Å²	66	47.7 Å²	47.7	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-66.7	-51	174.4	0	0	0	0	0	110.1	D55 A59 S60 D61	D55-A57 VanDerWaalsContact C-N 3.28Å; D55-A57 PolarHBondContact O-N 3.38Å; A57-A59 VanDerWaalsContact C-N 3.33Å; A57-A59 PolarHBondContact O-N 2.85Å; A57-S60 PolarHBondContact O-N 2.79Å; A57-S60 VanDerWaalsContact O-N 3.12Å; A57-D61 PolarHBondContact O-N 2.76Å
58	D	82.6	Confident	82.1	Confident	53 Å²	53	48.6 Å²	48.6	28%	0.283	26%	0.264	S	S	.	.	H	α-helix	trans	-60.1	-42.8	176.9	-61.5	-8.8	0	0	0	111.5	F53 D55 S60 D61 A62	F53-D58 HydrophobicContact CD1-CB 3.99Å; F53-D58 HydrophobicContact CE1-CB 4.39Å; D55-D58 HydrophobicContact CB-CB 4.21Å; D58-S60 VanDerWaalsContact C-N 3.3Å; D58-S60 PolarHBondContact O-N 3.27Å; D58-D61 PolarHBondContact O-N 2.95Å; D58-A62 VanDerWaalsContact O-CB 3.22Å; D58-A62 WeakPolarHBondContact O-CB 3.48Å; D58-A62 PolarHBondContact O-N 2.75Å
59	A	83.1	Confident	81.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.3	-43.5	175	0	0	0	0	0	112.4	G9 V12 F53 D55 A57 V63 L80	G9-A59 VanDerWaalsContact O-CB 3.24Å; G9-A59 WeakPolarHBondContact O-CB 3.48Å; V12-A59 HydrophobicContact CG2-CB 3.8Å; F53-A59 HydrophobicContact CB-CB 3.92Å; F53-A59 HydrophobicContact CD2-CB 3.6Å; F53-A59 HydrophobicContact CE2-CB 4.29Å; F53-A59 HydrophobicContact CG-CB 3.85Å; D55-A59 PolarHBondContact O-N 2.88Å; D55-A59 VanDerWaalsContact O-N 3.12Å; A57-A59 VanDerWaalsContact C-N 3.33Å; A57-A59 PolarHBondContact O-N 2.85Å; A59-V63 WeakPolarHBondContact O-CB 3.22Å; A59-V63 WeakPolarHBondContact O-CG2 3.41Å; A59-V63 PolarHBondContact O-N 3.27Å; A59-L80 HydrophobicContact CB-CD2 4.09Å
60	S	81.5	Confident	80.4	Confident	43 Å²	43	53.9 Å²	53.9	30%	0.301	30%	0.298	S	S	.	.	H	α-helix	trans	-70	-36.3	-179.8	-176.5	0	0	0	0	112.5	A56 A57 D58 R64	A56-S60 PolarHBondContact O-N 3.36Å; A56-S60 VanDerWaalsContact O-N 3.15Å; A57-S60 PolarHBondContact O-N 2.79Å; A57-S60 VanDerWaalsContact O-N 3.12Å; D58-S60 VanDerWaalsContact C-N 3.3Å; D58-S60 PolarHBondContact O-N 3.27Å; S60-R64 WeakPolarHBondContact O-CD 3.03Å; S60-R64 WeakPolarHBondContact O-CG 3.46Å; S60-R64 PolarHBondContact O-N 2.78Å
61	D	82.9	Confident	79.1	Confident	88 Å²	88	52.6 Å²	52.6	47%	0.471	29%	0.293	S	S	.	.	H	α-helix	trans	-69.2	-49.4	177.2	-159	-104.5	0	0	0	110.3	A57 D58 V63 R64 E65	A57-D61 PolarHBondContact O-N 2.76Å; D58-D61 PolarHBondContact O-N 2.95Å; D61-V63 VanDerWaalsContact C-N 3.3Å; D61-V63 PolarHBondContact O-N 3.03Å; D61-R64 PolarHBondContact O-N 3.27Å; D61-E65 PolarHBondContact O-N 2.84Å
62	A	83.3	Confident	77.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-54.1	-44.9	174.3	0	0	0	0	0	111.9	F30 Y33 F53 D58 R64 L66	F30-A62 HydrophobicContact CD1-CB 4.37Å; Y33-A62 HydrophobicContact CD1-CB 4.41Å; Y33-A62 HydrophobicContact CD2-CB 4.39Å; Y33-A62 HydrophobicContact CG-CB 3.89Å; F53-A62 HydrophobicContact CE1-CB 4.21Å; F53-A62 HydrophobicContact CE2-CB 4.11Å; F53-A62 HydrophobicContact CZ-CB 3.5Å; F53-A62 VanDerWaalsContact CZ-CB 3.5Å; D58-A62 VanDerWaalsContact O-CB 3.22Å; D58-A62 WeakPolarHBondContact O-CB 3.48Å; D58-A62 PolarHBondContact O-N 2.75Å; A62-R64 PolarHBondContact O-N 3.48Å; A62-L66 HydrophobicContact CB-CD1 4.28Å; A62-L66 WeakPolarHBondContact O-CA 3.02Å; A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 WeakPolarHBondContact O-CG 3.36Å; A62-L66 PolarHBondContact O-N 3.06Å
63	V	83.5	Confident	76.2	Confident	13 Å²	13	58.3 Å²	58.3	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-43.1	177.5	169.7	0	0	0	0	111.7	V12 A59 D61 E65 D67 V78 L80	V12-V63 HydrophobicContact CB-CG2 4.1Å; V12-V63 HydrophobicContact CG1-CG2 3.45Å; V12-V63 VanDerWaalsContact CG1-CG2 3.45Å; V12-V63 HydrophobicContact CG2-CG2 3.54Å; A59-V63 WeakPolarHBondContact O-CB 3.22Å; A59-V63 WeakPolarHBondContact O-CG2 3.41Å; A59-V63 PolarHBondContact O-N 3.27Å; D61-V63 VanDerWaalsContact C-N 3.3Å; D61-V63 PolarHBondContact O-N 3.03Å; V63-E65 VanDerWaalsContact C-N 3.33Å; V63-E65 PolarHBondContact O-N 2.86Å; V63-D67 WeakPolarHBondContact O-CA 3.3Å; V63-D67 WeakPolarHBondContact O-CB 2.93Å; V63-D67 PolarHBondContact O-N 3.2Å; V63-V78 HydrophobicContact CB-CG1 4.09Å; V63-V78 HydrophobicContact CG1-CG1 4.21Å; V63-V78 WeakPolarHBondContact CG1-O 3.23Å; V63-V78 HydrophobicContact CG2-CG1 3.69Å; V63-L80 HydrophobicContact CB-CD2 4.45Å; V63-L80 HydrophobicContact CB-CG 4.03Å; V63-L80 HydrophobicContact CG1-CG 4.11Å; V63-L80 HydrophobicContact CG2-CD2 3.78Å; V63-L80 HydrophobicContact CG2-CG 3.71Å
64	R	82.6	Confident	75.2	Confident	187 Å²	187	61.2 Å²	61.2	71%	0.706	36%	0.363	S	S	*	.	H	α-helix	trans	-66.7	-37.4	-176.9	-73.7	170.6	65.8	109.5	7.5	112.4	S60 D61 A62	S60-R64 WeakPolarHBondContact O-CD 3.03Å; S60-R64 WeakPolarHBondContact O-CG 3.46Å; S60-R64 PolarHBondContact O-N 2.78Å; D61-R64 PolarHBondContact O-N 3.27Å; A62-R64 PolarHBondContact O-N 3.48Å
65	E	83.1	Confident	74.5	Confident	112 Å²	112	65.7 Å²	65.7	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-84.2	-33.2	-178.9	-62.5	-61.1	104.7	0	0	112	Y33 D61 V63 T69	Y33-E65 HydrophobicContact CD1-CB 4.41Å; Y33-E65 HydrophobicContact CE1-CB 3.51Å; Y33-E65 HydrophobicContact CE1-CG 3.92Å; D61-E65 PolarHBondContact O-N 2.84Å; V63-E65 VanDerWaalsContact C-N 3.33Å; V63-E65 PolarHBondContact O-N 2.86Å; E65-T69 PolarHBondContact O-OG1 2.79Å
66	L	78.2	Confident	74.1	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-90.7	-18.4	-178	-60.9	174.4	0	0	0	113.8	I29 F30 Y33 A62 G68 T69 M71 V78	I29-L66 HydrophobicContact CG2-CD1 3.74Å; I29-L66 HydrophobicContact CG2-CD2 3.36Å; I29-L66 HydrophobicContact CG2-CG 4.19Å; F30-L66 HydrophobicContact CD1-CD1 3.74Å; F30-L66 HydrophobicContact CD2-CD1 3.87Å; F30-L66 HydrophobicContact CE1-CD1 3.57Å; F30-L66 HydrophobicContact CE2-CD1 3.76Å; F30-L66 HydrophobicContact CG-CD1 3.88Å; F30-L66 HydrophobicContact CZ-CB 4.44Å; F30-L66 HydrophobicContact CZ-CD1 3.59Å; Y33-L66 HydrophobicContact CD2-CD1 3.83Å; Y33-L66 HydrophobicContact CD2-CD2 4.45Å; Y33-L66 HydrophobicContact CD2-CG 4.22Å; Y33-L66 HydrophobicContact CE2-CD1 3.74Å; Y33-L66 HydrophobicContact CE2-CD2 3.52Å; Y33-L66 HydrophobicContact CE2-CG 3.68Å; A62-L66 HydrophobicContact CB-CD1 4.28Å; A62-L66 WeakPolarHBondContact O-CA 3.02Å; A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 WeakPolarHBondContact O-CG 3.36Å; A62-L66 PolarHBondContact O-N 3.06Å; L66-G68 PolarHBondContact O-N 2.77Å; L66-T69 WeakPolarHBondContact O-CB 3.39Å; L66-T69 PolarHBondContact O-N 3.37Å; L66-T69 VanDerWaalsContact O-N 3.08Å; L66-M71 HydrophobicContact CB-CE 3.98Å; L66-M71 HydrophobicContact CD1-CE 4.48Å; L66-M71 HydrophobicContact CD2-CE 3.78Å; L66-M71 HydrophobicContact CG-CE 4.31Å; L66-V78 HydrophobicContact CB-CB 4.48Å; L66-V78 HydrophobicContact CB-CG2 3.9Å; L66-V78 WeakPolarHBondContact O-CG2 3.24Å
67	D	79.3	Confident	74.1	Confident	85 Å²	85	65.6 Å²	65.6	46%	0.455	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	117.5	175.5	-176.7	-127.6	0	0	0	110.9	V63 T69 V78	V63-D67 WeakPolarHBondContact O-CA 3.3Å; V63-D67 WeakPolarHBondContact O-CB 2.93Å; V63-D67 PolarHBondContact O-N 3.2Å; D67-T69 VanDerWaalsContact C-N 3.3Å; D67-V78 HydrophobicContact CB-CB 4.15Å; D67-V78 WeakPolarHBondContact CB-O 3.29Å; D67-V78 PolarHBondContact OD2-N 2.81Å; D67-V78 VanDerWaalsContact OD2-O 3.12Å
68	G	68	Low	74.2	Confident	40 Å²	40	62.6 Å²	62.6	41%	0.412	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	1.8	-177.2	0	0	0	0	0	114.4	L66 A76	L66-G68 PolarHBondContact O-N 2.77Å; G68-A76 PolarHBondContact N-O 2.94Å; G68-A76 VanDerWaalsContact N-O 3.11Å
69	T	68.1	Low	74.1	Confident	58 Å²	58	63.9 Å²	63.9	36%	0.356	34%	0.34	S	S	.	.			trans	-68.2	137.7	171.5	-72.2	0	0	0	0	110.3	E65 L66 D67 M71 A76	E65-T69 PolarHBondContact O-OG1 2.79Å; L66-T69 WeakPolarHBondContact O-CB 3.39Å; L66-T69 PolarHBondContact O-N 3.37Å; L66-T69 VanDerWaalsContact O-N 3.08Å; D67-T69 VanDerWaalsContact C-N 3.3Å; T69-M71 HydrophobicContact CG2-CE 4.43Å; T69-M71 HydrophobicContact CG2-CG 4.35Å; T69-M71 PolarHBondContact O-N 3.26Å; T69-A76 PolarHBondContact O-N 2.85Å; T69-A76 VanDerWaalsContact O-N 3.17Å
70	V	64.8	Low	73.7	Confident	87 Å²	87	66.6 Å²	66.6	53%	0.527	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	96.1	-178.3	-171.1	0	0	0	0	108.6	V74 R75	V70-V74 CarbonylContact C-O 3.54Å; V70-V74 WeakPolarHBondContact CA-O 3.09Å; V70-R75 HydrophobicContact CG2-CG 4.23Å
71	M	57.9	Low	72.9	Confident	13 Å²	13	66.4 Å²	66.4	6%	0.064	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.5	176	-56.1	-176.8	-176.4	0	0	108.3	L26 I29 F30 L66 T69 G73 V74 A76	L26-M71 HydrophobicContact CD2-SD 4.27Å; I29-M71 HydrophobicContact CD1-CE 4.12Å; I29-M71 HydrophobicContact CD1-CG 4.1Å; I29-M71 HydrophobicContact CD1-SD 3.72Å; I29-M71 HydrophobicContact CG2-CE 3.99Å; F30-M71 HydrophobicContact CE2-CE 4.35Å; L66-M71 HydrophobicContact CB-CE 3.98Å; L66-M71 HydrophobicContact CD1-CE 4.48Å; L66-M71 HydrophobicContact CD2-CE 3.78Å; L66-M71 HydrophobicContact CG-CE 4.31Å; T69-M71 HydrophobicContact CG2-CE 4.43Å; T69-M71 HydrophobicContact CG2-CG 4.35Å; T69-M71 PolarHBondContact O-N 3.26Å; M71-G73 PolarHBondContact O-N 2.77Å; M71-V74 PolarHBondContact N-O 3.35Å; M71-V74 PolarHBondContact O-N 2.88Å; M71-V74 VanDerWaalsContact O-N 3.16Å; M71-V74 VanDerWaalsContact O-O 3.07Å; M71-A76 HydrophobicContact CB-CB 4.38Å; M71-A76 HydrophobicContact CE-CB 4.41Å; M71-A76 HydrophobicContact CG-CB 4.09Å; M71-A76 HydrophobicContact SD-CB 3.82Å
72	C	52.2	Low	71.6	Confident	83 Å²	83	66.7 Å²	66.7	56%	0.561	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	33	-179.6	-62.3	0	0	0	0	114.8	P18 V74	P18-C72 HydrophobicContact CG-CB 3.95Å; C72-V74 VanDerWaalsContact C-N 3.35Å
73	G	59.7	Low	70.1	Confident	67 Å²	67	68.5 Å²	68.5	69%	0.691	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	2.1	177.4	0	0	0	0	0	115.2	M71	M71-G73 PolarHBondContact O-N 2.77Å
74	V	62.8	Low	68.3	Low	60 Å²	60	74.5 Å²	74.5	36%	0.364	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.7	175.1	-172.6	0	0	0	0	109.4	D16 P18 V70 M71 C72 A76	D16-V74 WeakPolarHBondContact O-CG1 3.31Å; P18-V74 HydrophobicContact CB-CG2 4.02Å; P18-V74 HydrophobicContact CG-CB 4.43Å; P18-V74 HydrophobicContact CG-CG2 4.24Å; V70-V74 CarbonylContact C-O 3.54Å; V70-V74 WeakPolarHBondContact CA-O 3.09Å; M71-V74 PolarHBondContact N-O 3.35Å; M71-V74 PolarHBondContact O-N 2.88Å; M71-V74 VanDerWaalsContact O-N 3.16Å; M71-V74 VanDerWaalsContact O-O 3.07Å; C72-V74 VanDerWaalsContact C-N 3.35Å; V74-A76 PolarHBondContact O-N 2.96Å; V74-A76 VanDerWaalsContact O-N 3.17Å
75	R	69.9	Low	66.4	Low	190 Å²	190	70.1 Å²	70.1	72%	0.717	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	105.8	174.5	-72.1	-179.1	176.6	133.2	0.2	108.7	D16 V70	D16-R75 WeakPolarHBondContact CB-O 3.41Å; V70-R75 HydrophobicContact CG2-CG 4.23Å
76	A	72.6	Confident	64.6	Low	1 Å²	1	72.8 Å²	72.8	1%	0.008	40%	0.404	C	S	.	.			trans	-71.8	131.8	170.7	0	0	0	0	0	108.4	I14 L17 G68 T69 M71 V74	I14-A76 HydrophobicContact CG2-CB 4.33Å; L17-A76 HydrophobicContact CD2-CB 3.89Å; G68-A76 PolarHBondContact N-O 2.94Å; G68-A76 VanDerWaalsContact N-O 3.11Å; T69-A76 PolarHBondContact O-N 2.85Å; T69-A76 VanDerWaalsContact O-N 3.17Å; M71-A76 HydrophobicContact CB-CB 4.38Å; M71-A76 HydrophobicContact CE-CB 4.41Å; M71-A76 HydrophobicContact CG-CB 4.09Å; M71-A76 HydrophobicContact SD-CB 3.82Å; V74-A76 PolarHBondContact O-N 2.96Å; V74-A76 VanDerWaalsContact O-N 3.17Å
77	R	78.4	Confident	62.9	Low	127 Å²	127	79.9 Å²	79.9	48%	0.479	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.7	173.6	179.8	174.3	173.7	174.8	-3	108.2	I14 G15 D16 E79	I14-R77 CarbonylContact C-O 3.45Å; I14-R77 VanDerWaalsContact CA-O 3.27Å; I14-R77 WeakPolarHBondContact CA-O 3.45Å; G15-R77 PolarHBondContact N-O 3.21Å; G15-R77 PolarHBondContact O-N 2.78Å; D16-R77 HydrophobicContact CB-CB 4.46Å; R77-E79 IonicContact CZ-OE2 2.77Å; R77-E79 IonicContact NE-OE2 3.37Å; R77-E79 IonicContact NH2-OE2 3.51Å; R77-E79 PolarHBondContact NH2-OE2 2.71Å
78	V	83.4	Confident	61.5	Low	3 Å²	3	82.8 Å²	82.8	2%	0.018	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.5	-179.5	-169.8	0	0	0	0	107.5	V12 Y13 I14 F30 V63 L66 D67	V12-V78 HydrophobicContact CG1-CG1 3.32Å; Y13-V78 CarbonylContact O-C 3.54Å; Y13-V78 WeakPolarHBondContact O-CA 3.1Å; I14-V78 HydrophobicContact CG1-CG1 4.34Å; I14-V78 HydrophobicContact CG2-CG2 4.32Å; F30-V78 HydrophobicContact CE1-CG1 3.97Å; F30-V78 HydrophobicContact CZ-CG1 3.94Å; F30-V78 HydrophobicContact CZ-CG2 4.09Å; V63-V78 HydrophobicContact CB-CG1 4.09Å; V63-V78 HydrophobicContact CG1-CG1 4.21Å; V63-V78 WeakPolarHBondContact CG1-O 3.23Å; V63-V78 HydrophobicContact CG2-CG1 3.69Å; L66-V78 HydrophobicContact CB-CB 4.48Å; L66-V78 HydrophobicContact CB-CG2 3.9Å; L66-V78 WeakPolarHBondContact O-CG2 3.24Å; D67-V78 HydrophobicContact CB-CB 4.15Å; D67-V78 WeakPolarHBondContact CB-O 3.29Å; D67-V78 PolarHBondContact OD2-N 2.81Å; D67-V78 VanDerWaalsContact OD2-O 3.12Å
79	E	80.3	Confident	60.6	Low	81 Å²	81	86 Å²	86	38%	0.379	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.8	-178.4	-165.7	172.2	98.6	0	0	108.9	Y13 R77 S81	Y13-E79 WeakPolarHBondContact CA-O 3.49Å; Y13-E79 WeakPolarHBondContact CB-O 3.19Å; Y13-E79 HydrophobicContact CD1-CB 4.13Å; Y13-E79 PolarHBondContact N-O 2.72Å; Y13-E79 PolarHBondContact O-N 2.94Å; R77-E79 IonicContact CZ-OE2 2.77Å; R77-E79 IonicContact NE-OE2 3.37Å; R77-E79 IonicContact NH2-OE2 3.51Å; R77-E79 PolarHBondContact NH2-OE2 2.71Å; E79-S81 PolarHBondContact O-N 2.75Å; E79-S81 VanDerWaalsContact O-N 3.15Å
80	L	76.2	Confident	59.6	Low	57 Å²	57	94.2 Å²	94.2	30%	0.298	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	124.9	167.9	-79.1	166.6	0	0	0	108	V12 A59 V63 T82	V12-L80 HydrophobicContact CG2-CD2 4.26Å; A59-L80 HydrophobicContact CB-CD2 4.09Å; V63-L80 HydrophobicContact CB-CD2 4.45Å; V63-L80 HydrophobicContact CB-CG 4.03Å; V63-L80 HydrophobicContact CG1-CG 4.11Å; V63-L80 HydrophobicContact CG2-CD2 3.78Å; V63-L80 HydrophobicContact CG2-CG 3.71Å; L80-T82 PolarHBondContact O-N 3.34Å
81	S	63.9	Low	59	Low	38 Å²	38	94.6 Å²	94.6	27%	0.266	49%	0.487	S	S	.	.			trans	-66.9	95.5	176.5	-161	0	0	0	0	107	K11 E79 G83	K11-S81 WeakPolarHBondContact O-CA 3.01Å; K11-S81 WeakPolarHBondContact O-CB 3.12Å; K11-S81 PolarHBondContact O-N 3.15Å; E79-S81 PolarHBondContact O-N 2.75Å; E79-S81 VanDerWaalsContact O-N 3.15Å; S81-G83 PolarHBondContact O-N 3.47Å
82	T	56.4	Low	58.6	Low	94 Å²	94	104.8 Å²	104.8	58%	0.577	53%	0.525	S	S	*	.			trans	-68.7	84.4	170.5	-174.9	0	0	0	0	106.5	L80 K84	L80-T82 PolarHBondContact O-N 3.34Å; T82-K84 HydrophobicContact CG2-CG 4.45Å; T82-K84 PolarHBondContact O-N 3.31Å
83	G	50.2	Low	58.3	Low	38 Å²	38	104.1 Å²	104.1	39%	0.392	53%	0.532	S	S	.	.			trans	-54.6	92.5	150.7	0	0	0	0	0	104.5	V8 S81 S85	V8-G83 WeakPolarHBondContact CG1-O 3.01Å; S81-G83 PolarHBondContact O-N 3.47Å; G83-S85 PolarHBondContact O-N 3.34Å
84	K	46.8	Very low	57.5	Low	139 Å²	139	105.1 Å²	105.1	60%	0.604	54%	0.542	S	S	*	.			trans	-57	83.4	179.3	-76.4	161.2	171.2	162.7	0	108.2	T82 R86	T82-K84 HydrophobicContact CG2-CG 4.45Å; T82-K84 PolarHBondContact O-N 3.31Å; K84-R86 VanDerWaalsContact CA-N 3.27Å; K84-R86 HydrophobicContact CB-CB 4.23Å; K84-R86 HydrophobicContact CB-CG 4.36Å; K84-R86 HydrophobicContact CG-CG 4.24Å; K84-R86 PolarHBondContact O-N 2.93Å
85	S	42.2	Very low	56.7	Low	96 Å²	96	106.1 Å²	106.1	67%	0.671	56%	0.564	S	S	*	*				-70.1	64.8	123.7	78.9	0	0	0	0	106.4	G83 Q87	G83-S85 PolarHBondContact O-N 3.34Å; S85-Q87 PolarHBondContact O-N 3.49Å
86	R	45.3	Very low	55.7	Low	168 Å²	168	100.6 Å²	100.6	63%	0.634	57%	0.567	S	S	*	*			trans	-56.6	92.2	137.2	-95.2	-179.2	165.8	164	0.6	102.2	K84 K88	K84-R86 VanDerWaalsContact CA-N 3.27Å; K84-R86 HydrophobicContact CB-CB 4.23Å; K84-R86 HydrophobicContact CB-CG 4.36Å; K84-R86 HydrophobicContact CG-CG 4.24Å; K84-R86 PolarHBondContact O-N 2.93Å; R86-K88 PolarHBondContact O-N 2.96Å
87	Q	42.9	Very low	54.7	Low	153 Å²	153	104.2 Å²	104.2	72%	0.715	60%	0.596	S	S	*	*			trans	-35.9	105.9	150.5	-156.5	-173.3	-24.8	0	0	103.2	S85 P89 V91	S85-Q87 PolarHBondContact O-N 3.49Å; Q87-P89 WeakPolarHBondContact O-CD 3.45Å; Q87-V91 PolarHBondContact NE2-O 3.04Å
88	K	49.1	Very low	53.3	Low	146 Å²	146	109.4 Å²	109.4	64%	0.635	62%	0.616	S	S	*	*			trans	-49.9	122.8	-175.2	-61.1	174.9	82.8	-168.7	0	102.4	R86 W90 V91	R86-K88 PolarHBondContact O-N 2.96Å; K88-W90 HydrophobicContact CB-CB 4.47Å; K88-W90 PolarHBondContact O-N 3.37Å; K88-V91 HydrophobicContact CB-CG2 4.4Å; K88-V91 PolarHBondContact O-N 3.24Å
89	P	49.5	Very low	51.9	Low	108 Å²	108	117 Å²	117	70%	0.701	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	2.3	-179.6	17.4	-27.8	0	0	0	113	Q87	Q87-P89 WeakPolarHBondContact O-CD 3.45Å
90	W	48.2	Very low	50.3	Low	229 Å²	229	116.5 Å²	116.5	87%	0.867	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-5.4	170	-56.2	95.5	0	0	0	115.2	K88 R92	K88-W90 HydrophobicContact CB-CB 4.47Å; K88-W90 PolarHBondContact O-N 3.37Å; W90-R92 VanDerWaalsContact C-N 3.34Å
91	V	52	Low	48.8	Very low	96 Å²	96	117.9 Å²	117.9	58%	0.582	70%	0.701	S	S	*	*			trans	-107.7	52.1	167.6	-175.4	0	0	0	0	107.1	Q87 K88	Q87-V91 PolarHBondContact NE2-O 3.04Å; K88-V91 HydrophobicContact CB-CG2 4.4Å; K88-V91 PolarHBondContact O-N 3.24Å
92	R	47.9	Very low	48	Very low	227 Å²	227	119.6 Å²	119.6	86%	0.857	72%	0.724	S	S	*	*			trans	-83.6	135.8	161.9	-166.3	175.8	-167.8	-177.4	2.7	106	W90	W90-R92 VanDerWaalsContact C-N 3.34Å
93	G	46.8	Very low	47.4	Very low	69 Å²	69	126.3 Å²	126.3	71%	0.711	74%	0.739	S	S	*	*			trans	-44.9	154.5	-177.2	0	0	0	0	0	113.9
94	G	43.7	Very low	47.3	Very low	88 Å²	88	131 Å²	131	91%	0.907	76%	0.755	S	S	*	*	S	Bend	trans	-50.7	154.4	-179.5	0	0	0	0	0	113.9
95	G	45.3	Very low	47.2	Very low	81 Å²	81	131.2 Å²	131.2	84%	0.835	76%	0.763	S	S	*	*			trans	132.2	114.9	165.3	0	0	0	0	0	113.5
96	G	49.8	Very low	47.1	Very low	74 Å²	74	129.9 Å²	129.9	76%	0.763	77%	0.765	S	S	*	*			trans	90.7	80.7	159.4	0	0	0	0	0	114.2
97	A	51.6	Low	47.1	Very low	76 Å²	76	130.8 Å²	130.8	63%	0.628	78%	0.78	S	S	*	*				57.4	113.4	64.2	0	0	0	0	0	113.7
98	R	48.6	Very low	46.9	Very low	236 Å²	236	126.8 Å²	126.8	89%	0.891	78%	0.78	S	S	*	*			trans	90.4	111.1	146.3	-48.1	164.1	-140.7	-174.8	4.8	117.2
99	N	52.8	Low	46.8	Very low	163 Å²	163	125.5 Å²	125.5	87%	0.872	79%	0.79	S	S	*	*				131.5	125.2	109.6	-154	-47.1	0	0	0	114.4
100	G	48.3	Very low	46.6	Very low	70 Å²	70	131.8 Å²	131.8	72%	0.722	80%	0.799	S	S	*	*			trans	76.4	122.1	155	0	0	0	0	0	115.5
101	G	43.3	Very low	46.5	Very low	86 Å²	86	132.4 Å²	132.4	89%	0.887	80%	0.802	S	S	*	*			cis	112	125.5	37.4	0	0	0	0	0	108.3
102	G	47.1	Very low	46.5	Very low	74 Å²	74	135.5 Å²	135.5	76%	0.763	81%	0.811	S	S	*	*			trans	108	87.8	179.6	0	0	0	0	0	111.2
103	R	44.6	Very low	46.8	Very low	236 Å²	236	132.3 Å²	132.3	89%	0.891	80%	0.804	S	S	*	*				48.2	129.7	66.8	-69.5	-175.6	-175	174.5	2.6	112.7
104	D	48.6	Very low	47.2	Very low	135 Å²	135	134.5 Å²	134.5	72%	0.722	81%	0.806	S	S	*	*			trans	89.9	126.9	156.5	81.2	-108.9	0	0	0	120.8
105	N	44.5	Very low	47.6	Very low	144 Å²	144	133.7 Å²	133.7	77%	0.77	78%	0.777	S	S	*	*			trans	80.3	94.9	149.1	-58.5	-47.3	0	0	0	121.3
106	G	40.4	Very low	48.4	Very low	69 Å²	69	133.5 Å²	133.5	71%	0.711	76%	0.757	S	S	*	*				95.7	124.3	125.7	0	0	0	0	0	118
107	I	43.9	Very low	48.8	Very low	186 Å²	186	134.1 Å²	134.1	95%	0.954	75%	0.748	S	S	*	*	S	Bend	trans	29	96.4	147.6	-62.2	159.1	0	0	0	115.5
108	G	38.6	Very low	49.4	Very low	69 Å²	69	135.1 Å²	135.1	71%	0.711	75%	0.746	S	S	*	*			trans	127	93.7	163.9	0	0	0	0	0	113.7
109	S	47	Very low	50.2	Low	120 Å²	120	126.4 Å²	126.4	84%	0.839	72%	0.717	S	S	*	*			trans	-160	15	170	-79.8	0	0	0	0	115.1	R111	S109-R111 PolarHBondContact O-N 3.4Å
110	R	46.1	Very low	51.1	Low	240 Å²	240	126.4 Å²	126.4	91%	0.906	71%	0.705	S	S	*	*	S	Bend	trans	-71.3	80.9	156.9	-75.5	-160.9	-72.6	-178.9	-3.9	106.5	M112	R110-M112 VanDerWaalsContact C-N 3.27Å; R110-M112 WeakPolarHBondContact O-CG 3.46Å; R110-M112 PolarHBondContact O-N 2.83Å
111	R	45.2	Very low	52.2	Low	242 Å²	242	123.2 Å²	123.2	91%	0.913	67%	0.671	S	S	*	*			trans	-45.7	91.7	178.8	-179.2	157.1	172.7	167.9	-4.6	109	S109 K113	S109-R111 PolarHBondContact O-N 3.4Å; R111-K113 PolarHBondContact O-N 3.18Å
112	M	51.6	Low	53.5	Low	160 Å²	160	129 Å²	129	79%	0.788	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-59.7	121.1	176.4	-70.3	-173	136.6	0	0	105.4	R110	R110-M112 VanDerWaalsContact C-N 3.27Å; R110-M112 WeakPolarHBondContact O-CG 3.46Å; R110-M112 PolarHBondContact O-N 2.83Å
113	K	55.4	Low	54.1	Low	160 Å²	160	129.4 Å²	129.4	70%	0.696	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-53.6	138	174.4	-97.9	163.1	157.4	-177.5	0	108	R111 F115	R111-K113 PolarHBondContact O-N 3.18Å; K113-F115 PolarHBondContact O-N 2.8Å
114	P	55.9	Low	55.5	Low	116 Å²	116	119.4 Å²	119.4	75%	0.753	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-50.7	136.3	167.1	-19.3	29.8	0	0	0	108.8	D116	P114-D116 PolarHBondContact O-N 3.09Å
115	F	51.8	Low	56.5	Low	71 Å²	71	115.2 Å²	115.2	31%	0.311	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-55	118.3	172.1	177.2	-96.7	0	0	0	108.8	K113 D119 G128 Y130	K113-F115 PolarHBondContact O-N 2.8Å; F115-D119 HydrophobicContact CE2-CB 3.98Å; F115-D119 HydrophobicContact CZ-CB 4.21Å; F115-D119 WeakPolarHBondContact CZ-O 3.24Å; F115-G128 VanDerWaalsContact CZ-C 3.48Å; F115-Y130 HydrophobicContact CB-CE2 4.37Å; F115-Y130 HydrophobicContact CD2-CD2 4.11Å; F115-Y130 HydrophobicContact CD2-CE1 4.48Å; F115-Y130 AromaticContact CD2-CE2 3.74Å; F115-Y130 HydrophobicContact CD2-CE2 3.74Å; F115-Y130 AromaticContact CD2-CZ 3.92Å
116	D	60.4	Low	57.6	Low	76 Å²	76	111.6 Å²	111.6	41%	0.406	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-73.6	127.1	173.3	-165.9	-79.4	0	0	0	107.4	P114 T118 D119	P114-D116 PolarHBondContact O-N 3.09Å; D116-T118 PolarHBondContact O-N 3.31Å; D116-T118 WeakPolarHBondContact OD1-CA 3.44Å; D116-T118 WeakPolarHBondContact OD1-CB 3.24Å; D116-T118 PolarHBondContact OD1-N 3.07Å; D116-T118 PolarHBondContact OD1-OG1 2.87Å; D116-D119 HydrophobicContact CB-CB 4.43Å; D116-D119 WeakPolarHBondContact CB-OD2 3.17Å; D116-D119 PolarHBondContact N-OD2 3.02Å; D116-D119 WeakPolarHBondContact O-CB 3.3Å; D116-D119 PolarHBondContact O-N 2.74Å
117	P	60.1	Low	58.9	Low	87 Å²	87	115.6 Å²	115.6	57%	0.565	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-14.9	179	20.8	-30.1	0	0	0	112.9	R127	P117-R127 PolarHBondContact O-NE 3.04Å; P117-R127 PolarHBondContact O-NH2 3.47Å
118	T	63.5	Low	59.9	Low	98 Å²	98	109.3 Å²	109.3	60%	0.601	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-17.9	175.5	-39.2	0	0	0	0	113	D116 R120	D116-T118 PolarHBondContact O-N 3.31Å; D116-T118 WeakPolarHBondContact OD1-CA 3.44Å; D116-T118 WeakPolarHBondContact OD1-CB 3.24Å; D116-T118 PolarHBondContact OD1-N 3.07Å; D116-T118 PolarHBondContact OD1-OG1 2.87Å; T118-R120 PolarHBondContact O-N 3.21Å
119	D	65.9	Low	61.3	Low	52 Å²	52	107.1 Å²	107.1	28%	0.278	53%	0.529	S	S	.	.			trans	-64.8	127.3	179.9	-77.7	-45.7	0	0	0	110.2	F115 D116 Y130	F115-D119 HydrophobicContact CE2-CB 3.98Å; F115-D119 HydrophobicContact CZ-CB 4.21Å; F115-D119 WeakPolarHBondContact CZ-O 3.24Å; D116-D119 HydrophobicContact CB-CB 4.43Å; D116-D119 WeakPolarHBondContact CB-OD2 3.17Å; D116-D119 PolarHBondContact N-OD2 3.02Å; D116-D119 WeakPolarHBondContact O-CB 3.3Å; D116-D119 PolarHBondContact O-N 2.74Å; D119-Y130 HydrophobicContact CB-CE1 4.4Å; D119-Y130 PolarHBondContact OD2-OH 3.11Å
120	R	70.1	Confident	62.3	Low	164 Å²	164	104.5 Å²	104.5	62%	0.619	50%	0.501	S	S	*	.	B	Isolated β-bridge	trans	-105.2	144.7	173.2	-66.5	-179.2	-168.7	170.2	2.6	109.1	T118 Y122 R127	T118-R120 PolarHBondContact O-N 3.21Å; R120-Y122 PolarHBondContact O-N 3.08Å; R120-R127 HydrophobicContact CG-CG 3.73Å
121	C	72.8	Confident	63.2	Low	2 Å²	2	94.7 Å²	94.7	1%	0.014	47%	0.471	C	S	.	.			trans	-60.4	122.6	168.2	176.8	0	0	0	0	109.7	E123 C124 G125 E126 H129 C134	C121-E123 PolarHBondContact O-N 3.49Å; C121-E123 PolarHBondContact SG-N 3.2Å; C121-E123 VanDerWaalsContact SG-N 3.42Å; C121-C124 VanDerWaalsContact CB-SG 3.55Å; C121-C124 PolarHBondContact SG-N 2.86Å; C121-G125 VanDerWaalsContact O-CA 3.24Å; C121-G125 WeakPolarHBondContact O-CA 3.28Å; C121-G125 PolarHBondContact O-N 3.04Å; C121-E126 WeakPolarHBondContact CB-O 3.48Å; C121-E126 PolarHBondContact N-O 3.43Å; C121-H129 VanDerWaalsContact CB-NE2 3.28Å; C121-H129 WeakPolarHBondContact CB-NE2 3.39Å; C121-H129 PolarHBondContact N-O 2.82Å; C121-H129 PolarHBondContact SG-NE2 3.17Å; C121-C134 VanDerWaalsContact SG-SG 3.64Å
122	Y	70.1	Confident	63.9	Low	208 Å²	208	91.1 Å²	91.1	82%	0.816	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.6	177.4	-65.2	-80.7	0	0	0	113.8	R120 A131	R120-Y122 PolarHBondContact O-N 3.08Å; Y122-A131 HydrophobicContact CD2-CB 4.37Å
123	E	60.6	Low	64.5	Low	83 Å²	83	88.5 Å²	88.5	39%	0.388	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-31	-175.6	-157.9	178.2	79.8	0	0	112.8	C121 C134 R137	C121-E123 PolarHBondContact O-N 3.49Å; C121-E123 PolarHBondContact SG-N 3.2Å; C121-E123 VanDerWaalsContact SG-N 3.42Å; E123-C134 HydrophobicContact CB-CB 4.23Å; E123-C134 WeakPolarHBondContact OE1-CB 3.47Å; E123-C134 PolarHBondContact OE1-SG 3.42Å; E123-R137 VanDerWaalsContact OE1-CB 3.3Å; E123-R137 WeakPolarHBondContact OE1-CB 3.28Å; E123-R137 WeakPolarHBondContact OE1-CD 3.38Å; E123-R137 VanDerWaalsContact OE1-CG 3.24Å; E123-R137 WeakPolarHBondContact OE1-CG 3.41Å; E123-R137 IonicContact OE1-NE 3.4Å; E123-R137 IonicContact OE2-CZ 3.25Å; E123-R137 IonicContact OE2-NE 2.81Å; E123-R137 PolarHBondContact OE2-NE 2.91Å; E123-R137 IonicContact OE2-NH2 3.38Å; E123-R137 PolarHBondContact OE2-NH2 3.17Å
124	C	72.4	Confident	65	Low	26 Å²	26	81.2 Å²	81.2	18%	0.176	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-8	177.9	72.1	0	0	0	0	115.7	C121 E126 H129 R136	C121-C124 VanDerWaalsContact CB-SG 3.55Å; C121-C124 PolarHBondContact SG-N 2.86Å; C124-E126 PolarHBondContact O-N 3.5Å; C124-E126 PolarHBondContact SG-OE2 2.89Å; C124-H129 PolarHBondContact SG-CE1 3.5Å; C124-H129 PolarHBondContact SG-NE2 3.27Å; C124-R136 HydrophobicContact CB-CB 4.2Å; C124-R136 HydrophobicContact CB-CG 3.76Å
125	G	71.4	Confident	65.5	Low	46 Å²	46	84.9 Å²	84.9	47%	0.474	42%	0.416	S	S	.	.			trans	75.6	-3.5	-179.1	0	0	0	0	0	115.6	C121	C121-G125 VanDerWaalsContact O-CA 3.24Å; C121-G125 WeakPolarHBondContact O-CA 3.28Å; C121-G125 PolarHBondContact O-N 3.04Å
126	E	67.5	Low	66	Low	68 Å²	68	90.6 Å²	90.6	32%	0.318	44%	0.436	S	S	.	.			trans	-76	143.2	179.2	-62.4	171.3	99	0	0	111.1	C121 C124 R135	C121-E126 WeakPolarHBondContact CB-O 3.48Å; C121-E126 PolarHBondContact N-O 3.43Å; C124-E126 PolarHBondContact O-N 3.5Å; C124-E126 PolarHBondContact SG-OE2 2.89Å; E126-R135 IonicContact OE1-NH1 3.65Å; E126-R135 PolarHBondContact OE1-NH1 3.29Å
127	R	67	Low	65.9	Low	153 Å²	153	95.1 Å²	95.1	58%	0.577	45%	0.447	S	S	*	.	B	Isolated β-bridge	trans	-78.4	159.7	169.8	-63.3	170.6	76.6	179.5	5.7	109.3	P117 R120	P117-R127 PolarHBondContact O-NE 3.04Å; P117-R127 PolarHBondContact O-NH2 3.47Å; R120-R127 HydrophobicContact CG-CG 3.73Å
128	G	64.9	Low	65.3	Low	54 Å²	54	94.7 Å²	94.7	56%	0.557	46%	0.458	S	S	*	.	S	Bend	trans	97.3	-0.2	174.4	0	0	0	0	0	115.6	F115	F115-G128 VanDerWaalsContact CZ-C 3.48Å
129	H	68.6	Low	64.6	Low	24 Å²	24	93.2 Å²	93.2	11%	0.111	46%	0.463	C	S	.	.	S	Bend	trans	-156	156.7	174.2	68.1	-84.6	0	0	0	112.5	C121 C124 D133 C134	C121-H129 VanDerWaalsContact CB-NE2 3.28Å; C121-H129 WeakPolarHBondContact CB-NE2 3.39Å; C121-H129 PolarHBondContact N-O 2.82Å; C121-H129 PolarHBondContact SG-NE2 3.17Å; C124-H129 PolarHBondContact SG-CE1 3.5Å; C124-H129 PolarHBondContact SG-NE2 3.27Å; H129-D133 HydrophobicContact CB-CB 4.21Å; H129-C134 WeakPolarHBondContact NE2-CA 3.33Å
130	Y	67	Low	63.4	Low	65 Å²	65	94.5 Å²	94.5	26%	0.255	49%	0.488	S	S	.	.			trans	-85.3	160.6	173.3	-73.4	-67.9	0	0	0	111	F115 D119 Y132 D133	F115-Y130 HydrophobicContact CB-CE2 4.37Å; F115-Y130 HydrophobicContact CD2-CD2 4.11Å; F115-Y130 HydrophobicContact CD2-CE1 4.48Å; F115-Y130 AromaticContact CD2-CE2 3.74Å; F115-Y130 HydrophobicContact CD2-CE2 3.74Å; F115-Y130 AromaticContact CD2-CZ 3.92Å; D119-Y130 HydrophobicContact CB-CE1 4.4Å; D119-Y130 PolarHBondContact OD2-OH 3.11Å; Y130-Y132 HydrophobicContact CD2-CD1 4.43Å; Y130-Y132 AromaticContact CD2-CE1 3.53Å; Y130-Y132 HydrophobicContact CD2-CE1 3.53Å; Y130-Y132 HydrophobicContact CG-CD1 4.16Å; Y130-Y132 AromaticContact CG-CE1 3.71Å; Y130-Y132 HydrophobicContact CG-CE1 3.71Å; Y130-Y132 PolarHBondContact O-N 3.3Å; Y130-D133 PolarHBondContact O-N 3.33Å
131	A	65.9	Low	62.1	Low	33 Å²	33	93.3 Å²	93.3	27%	0.273	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-54	-23.1	177.9	0	0	0	0	0	114.6	Y122 D133	Y122-A131 HydrophobicContact CD2-CB 4.37Å; A131-D133 VanDerWaalsContact C-N 3.32Å
132	Y	59.5	Low	60.7	Low	167 Å²	167	96.7 Å²	96.7	66%	0.655	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-73.7	-20.9	175.4	74.9	-104.3	0	0	0	113.9	Y130	Y130-Y132 HydrophobicContact CD2-CD1 4.43Å; Y130-Y132 AromaticContact CD2-CE1 3.53Å; Y130-Y132 HydrophobicContact CD2-CE1 3.53Å; Y130-Y132 HydrophobicContact CG-CD1 4.16Å; Y130-Y132 AromaticContact CG-CE1 3.71Å; Y130-Y132 HydrophobicContact CG-CE1 3.71Å; Y130-Y132 PolarHBondContact O-N 3.3Å
133	D	62.7	Low	59.3	Low	105 Å²	105	89.9 Å²	89.9	56%	0.561	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-109.1	15.2	-175.3	-153.2	-108.9	0	0	0	111.1	H129 Y130 A131 R135	H129-D133 HydrophobicContact CB-CB 4.21Å; Y130-D133 PolarHBondContact O-N 3.33Å; A131-D133 VanDerWaalsContact C-N 3.32Å; D133-R135 PolarHBondContact O-N 3.18Å; D133-R135 VanDerWaalsContact O-N 3.15Å
134	C	66.3	Low	58.7	Low	8 Å²	8	92.1 Å²	92.1	5%	0.054	55%	0.552	C	S	.	*			trans	-67	112	-174.8	-175.3	0	0	0	0	112.2	C121 E123 H129 R136 R137	C121-C134 VanDerWaalsContact SG-SG 3.64Å; E123-C134 HydrophobicContact CB-CB 4.23Å; E123-C134 WeakPolarHBondContact OE1-CB 3.47Å; E123-C134 PolarHBondContact OE1-SG 3.42Å; H129-C134 WeakPolarHBondContact NE2-CA 3.33Å; C134-R136 PolarHBondContact O-N 3.06Å; C134-R136 VanDerWaalsContact O-N 3.17Å; C134-R137 WeakPolarHBondContact O-CB 3.32Å; C134-R137 PolarHBondContact O-N 2.93Å
135	R	67.5	Low	57.1	Low	193 Å²	193	98.7 Å²	98.7	73%	0.728	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-22	173.4	60.8	-179	-78.4	-150.6	3.6	114.8	E126 D133 R137	E126-R135 IonicContact OE1-NH1 3.65Å; E126-R135 PolarHBondContact OE1-NH1 3.29Å; D133-R135 PolarHBondContact O-N 3.18Å; D133-R135 VanDerWaalsContact O-N 3.15Å; R135-R137 PolarHBondContact O-N 3.37Å
136	R	61.7	Low	55.6	Low	191 Å²	191	99.7 Å²	99.7	72%	0.721	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-12.8	176.2	-70.2	-146.5	-175.3	-163.4	5	113.1	C124 C134 G138	C124-R136 HydrophobicContact CB-CB 4.2Å; C124-R136 HydrophobicContact CB-CG 3.76Å; C134-R136 PolarHBondContact O-N 3.06Å; C134-R136 VanDerWaalsContact O-N 3.17Å; R136-G138 PolarHBondContact O-N 3.17Å
137	R	57.8	Low	54.4	Low	170 Å²	170	108.2 Å²	108.2	64%	0.642	63%	0.625	S	S	*	*	S	Bend	trans	-76.2	45.5	170.8	-137.2	177	-147	-87.4	-4.8	111.5	E123 C134 R135 G139	E123-R137 VanDerWaalsContact OE1-CB 3.3Å; E123-R137 WeakPolarHBondContact OE1-CB 3.28Å; E123-R137 WeakPolarHBondContact OE1-CD 3.38Å; E123-R137 VanDerWaalsContact OE1-CG 3.24Å; E123-R137 WeakPolarHBondContact OE1-CG 3.41Å; E123-R137 IonicContact OE1-NE 3.4Å; E123-R137 IonicContact OE2-CZ 3.25Å; E123-R137 IonicContact OE2-NE 2.81Å; E123-R137 PolarHBondContact OE2-NE 2.91Å; E123-R137 IonicContact OE2-NH2 3.38Å; E123-R137 PolarHBondContact OE2-NH2 3.17Å; C134-R137 WeakPolarHBondContact O-CB 3.32Å; C134-R137 PolarHBondContact O-N 2.93Å; R135-R137 PolarHBondContact O-N 3.37Å; R137-G139 PolarHBondContact O-N 3.02Å
138	G	48.2	Very low	53.2	Low	78 Å²	78	106.2 Å²	106.2	80%	0.804	64%	0.635	S	S	*	*			trans	-52.2	102.4	-177.8	0	0	0	0	0	111.5	R136	R136-G138 PolarHBondContact O-N 3.17Å
139	G	48.2	Very low	52.2	Low	68 Å²	68	114.5 Å²	114.5	70%	0.701	65%	0.649	S	S	*	*			trans	158.5	91.6	-179.3	0	0	0	0	0	109.9	R137	R137-G139 PolarHBondContact O-N 3.02Å
140	G	41.3	Very low	51.1	Low	79 Å²	79	119.3 Å²	119.3	81%	0.814	68%	0.682	S	S	*	*			trans	-65.4	-170.2	173.8	0	0	0	0	0	113.2
141	P	42.1	Very low	50.1	Low	138 Å²	138	125.7 Å²	125.7	90%	0.896	72%	0.715	S	S	*	*			cis	-120.4	144.5	-1.6	37.5	-22.7	0	0	0	112.1
142	G	43.6	Very low	48.6	Very low	73 Å²	73	127.3 Å²	127.3	75%	0.753	74%	0.735	S	S	*	*			trans	163.5	17.2	170.3	0	0	0	0	0	118.7	P144	G142-P144 WeakPolarHBondContact O-CD 3.41Å
143	G	41.2	Very low	47.6	Very low	66 Å²	66	131 Å²	131	68%	0.68	75%	0.747	S	S	*	*			trans	-53.1	124.9	175.1	0	0	0	0	0	110.7	N145	G143-N145 PolarHBondContact O-N 3.27Å
144	P	47.8	Very low	46.7	Very low	129 Å²	129	137.2 Å²	137.2	84%	0.838	76%	0.763	S	S	*	*	S	Bend	trans	-78	60.8	173.8	32.9	-33.7	0	0	0	109.5	G142	G142-P144 WeakPolarHBondContact O-CD 3.41Å
145	N	38.6	Very low	45.3	Very low	164 Å²	164	149.1 Å²	149.1	88%	0.877	81%	0.807	S	S	*	*			trans	-140.5	107.6	169.5	-86.5	-32.8	0	0	0	108	G143	G143-N145 PolarHBondContact O-N 3.27Å
146	G	41.1	Very low	43.9	Very low	68 Å²	68	144.5 Å²	144.5	70%	0.701	80%	0.804	S	S	*	*			trans	150.7	8	175.9	0	0	0	0	0	117	S148	G146-S148 PolarHBondContact O-N 2.89Å
147	R	40.5	Very low	42.7	Very low	246 Å²	246	146.8 Å²	146.8	93%	0.928	81%	0.813	S	S	*	*			trans	-74.4	70.4	165.8	-67.5	-178.2	-165.7	-133.3	0.9	109.2	R149	R147-R149 PolarHBondContact O-N 3.37Å
148	S	42.7	Very low	41.9	Very low	111 Å²	111	144.3 Å²	144.3	78%	0.776	82%	0.821	S	S	*	*			trans	-47.7	102.4	146.9	-53.6	0	0	0	0	105.4	G146	G146-S148 PolarHBondContact O-N 2.89Å
149	R	43.2	Very low	42	Very low	228 Å²	228	147 Å²	147	86%	0.86	82%	0.822	S	S	*	*			trans	-51.6	128.8	177.9	-82.7	174.1	166.7	160.6	-4.5	106.8	R147 E151	R147-R149 PolarHBondContact O-N 3.37Å; R149-E151 VanDerWaalsContact C-N 3.32Å; R149-E151 PolarHBondContact O-N 2.96Å
150	P	47.4	Very low	41.7	Very low	125 Å²	125	148.7 Å²	148.7	81%	0.812	82%	0.823	S	S	*	*			trans	-64.7	100.6	172.3	25.9	-30.8	0	0	0	107.6	G152	P150-G152 PolarHBondContact O-N 3.18Å
151	E	44.3	Very low	41.7	Very low	200 Å²	200	152 Å²	152	94%	0.935	82%	0.822	S	S	*	*			trans	-65.1	114.1	162.2	-171.2	148.2	84.4	0	0	106.7	R149	R149-E151 VanDerWaalsContact C-N 3.32Å; R149-E151 PolarHBondContact O-N 2.96Å
152	G	35.1	Very low	41.6	Very low	67 Å²	67	153.4 Å²	153.4	69%	0.691	82%	0.816	S	S	*	*			trans	95.8	86.4	173.2	0	0	0	0	0	115.4	P150	P150-G152 PolarHBondContact O-N 3.18Å
153	R	38.6	Very low	41.6	Very low	244 Å²	244	161.6 Å²	161.6	92%	0.921	82%	0.824	S	S	*	*			trans	-157.9	112.7	130.1	-126.3	171	-168.3	178.8	3.7	111.9	R155	R153-R155 PolarHBondContact O-N 3.16Å
154	R	42.9	Very low	41.7	Very low	235 Å²	235	163.8 Å²	163.8	89%	0.887	83%	0.829	S	S	*	*			trans	-44.1	118.1	170.6	-57.7	-178.9	-172.5	-125.8	1.7	109	S156	R154-S156 PolarHBondContact O-N 2.93Å
155	R	37.6	Very low	41.6	Very low	258 Å²	258	166.2 Å²	166.2	97%	0.974	83%	0.827	S	S	*	*			trans	-63.4	97.8	174.9	-102	172.5	173.7	153.4	-3.3	108.7	R153	R153-R155 PolarHBondContact O-N 3.16Å
156	S	37.5	Very low	42.2	Very low	96 Å²	96	162.6 Å²	162.6	67%	0.671	82%	0.815	S	S	*	*			trans	-106	131.4	158.8	-50.4	0	0	0	0	107.5	R154	R154-S156 PolarHBondContact O-N 2.93Å
157	R	36.4	Very low	42.5	Very low	240 Å²	240	169.5 Å²	169.5	91%	0.906	82%	0.82	S	S	*	*			trans	88.2	100.9	163.3	-52.4	170.5	-177.8	161.5	-0.1	116.5
158	S	42.3	Very low	43.1	Very low	118 Å²	118	162.6 Å²	162.6	83%	0.825	81%	0.809	S	S	*	*			trans	-134.7	95.2	144.4	-54	0	0	0	0	105.7
159	V	50.1	Low	43.2	Very low	133 Å²	133	168.8 Å²	168.8	81%	0.806	82%	0.815	S	S	*	*				74.3	88.2	107.6	172.3	0	0	0	0	110.5	N161	V159-N161 PolarHBondContact O-N 3.19Å
160	S	42.4	Very low	43.6	Very low	104 Å²	104	162.6 Å²	162.6	73%	0.727	81%	0.807	S	S	*	*			trans	-56.8	110.7	155.3	-34.5	0	0	0	0	108
161	N	40.5	Very low	43.5	Very low	149 Å²	149	172.1 Å²	172.1	80%	0.797	83%	0.827	S	S	*	*			trans	-162.7	98.2	137.4	-117.1	-4.1	0	0	0	110.8	V159	V159-N161 PolarHBondContact O-N 3.19Å
162	H	40.6	Very low	43.4	Very low	168 Å²	168	170.7 Å²	170.7	78%	0.778	82%	0.821	S	S	*	*			trans	-61.7	127.3	164.1	-55.2	-95	0	0	0	108.7
163	R	43	Very low	43.9	Very low	244 Å²	244	176.2 Å²	176.2	92%	0.921	83%	0.828	S	S	*	*			trans	-160.4	107.9	149.8	-108	157.5	-168.3	-161.8	3.5	110.7
164	S	44	Very low	44.1	Very low	112 Å²	112	172.4 Å²	172.4	78%	0.783	82%	0.823	S	S	*	*			trans	-45.6	139	175.6	-37.6	0	0	0	0	114.3
165	F	44.1	Very low	44.2	Very low	180 Å²	180	168.7 Å²	168.7	79%	0.789	82%	0.819	S	S	*	*			trans	-138.8	100.4	146.1	-167.1	-102.4	0	0	0	109.5
166	S	52.2	Low	44.6	Very low	89 Å²	89	163.1 Å²	163.1	62%	0.622	81%	0.81	S	S	*	*			trans	-65.7	148	170.3	-40.9	0	0	0	0	110.9
167	R	47.7	Very low	45.1	Very low	213 Å²	213	167.6 Å²	167.6	80%	0.804	82%	0.819	S	S	*	*			trans	167.2	92.7	137.5	-89.8	155.8	-178.2	-157	0.6	108.1
168	S	52	Low	45.7	Very low	101 Å²	101	162.4 Å²	162.4	71%	0.706	81%	0.813	S	S	*	*				90	118.7	83.7	-67.3	0	0	0	0	113.2
169	R	45.3	Very low	46	Very low	240 Å²	240	165.8 Å²	165.8	91%	0.906	81%	0.812	S	S	*	*			trans	66.9	138.8	134.4	-74.7	-178.4	169.1	-173.5	-4.4	117.9
170	S	51.6	Low	45.7	Very low	99 Å²	99	168.6 Å²	168.6	69%	0.692	81%	0.812	S	S	*	*			cis	-171.5	148.3	5.3	-73.8	0	0	0	0	107.8
171	R	44.7	Very low	46	Very low	324 Å²	324	174.5 Å²	174.5	100%	1.223	82%	0.82	S	S	*	*				-176.4	0	128.1	-99.7	-178	-172	-160.7	2.3	108.8

Retrieved 171 of 171 residues in 63 ms (Link to these results)

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