X5J4I0_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4I0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4I0_MOUSE|X5J4I0
SGAELAKPGASVKMSCKASGYTFTSYWMHWVKQRPGQGLEWIGYINPSTGYTEYNQKFKDKATLTADKSSSTAYMQLSSLTSEDSAVYYCAEDYGWHFDVWGAGTTVTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	54.1	Low	82.7	Confident	103 Å²	103	76.3 Å²	76.3	72%	0.72	51%	0.506	S	S	*	.				0	142.4	0	-55.7	0	0	0	0	108.7	T105	S1-T105 WeakPolarHBondContact CB-OG1 3.46Å
2	G	63.9	Low	83.8	Confident	55 Å²	55	71.3 Å²	71.3	57%	0.567	47%	0.471	S	S	*	.			trans	-90.9	-167.6	-174.6	0	0	0	0	0	113.3	T105	G2-T105 WeakPolarHBondContact O-CG2 3.36Å
3	A	74.1	Confident	84.7	Confident	85 Å²	85	74.4 Å²	74.4	70%	0.702	47%	0.473	S	S	*	.			trans	-72.7	130.7	173.7	0	0	0	0	0	111.1	T106	A3-T106 CarbonylContact C-O 3.53Å; A3-T106 WeakPolarHBondContact CA-O 3.44Å
4	E	80.7	Confident	85.4	Confident	58 Å²	58	69.3 Å²	69.3	27%	0.271	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117.5	176.7	-68.8	-177.6	145.5	0	0	109.9	V12 T105 T106 V107 T108	E4-V12 HydrophobicContact CB-CG2 4.17Å; E4-V12 VanDerWaalsContact CD-CG2 3.43Å; E4-V12 HydrophobicContact CG-CG2 4.35Å; E4-V12 WeakPolarHBondContact OE2-CG2 3.33Å; E4-T105 HydrophobicContact CG-CG2 4.28Å; E4-T106 PolarHBondContact N-O 3.22Å; E4-V107 HydrophobicContact CB-CG2 4.47Å; E4-V107 WeakPolarHBondContact O-CA 3.38Å; E4-T108 PolarHBondContact O-N 3.43Å
5	L	84.4	Confident	86.1	Confident	134 Å²	134	68 Å²	68	70%	0.702	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.8	173.1	-175.3	68	0	0	0	109.1	T108	L5-T108 HydrophobicContact CD1-CG2 4.1Å
6	A	88.1	Confident	86.6	Confident	11 Å²	11	64.4 Å²	64.4	9%	0.091	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.2	-178.1	0	0	0	0	0	111.7	L80 T108 V109 S110	A6-L80 HydrophobicContact CB-CD1 3.51Å; A6-T108 PolarHBondContact N-O 2.66Å; A6-V109 HydrophobicContact CB-CG2 4.43Å; A6-V109 WeakPolarHBondContact O-CA 3.45Å; A6-S110 PolarHBondContact O-N 2.74Å
7	K	89.4	Confident	87	Confident	164 Å²	164	69.8 Å²	69.8	71%	0.713	43%	0.427	S	S	*	.			trans	-87.1	154.4	170.7	-65.5	-176.1	-178.9	-178.1	0	110.3	A10	K7-A10 WeakPolarHBondContact O-CB 3.38Å; K7-A10 PolarHBondContact O-N 3.02Å; K7-A10 VanDerWaalsContact O-N 3.12Å
8	P	92.9	Very high	87.1	Confident	70 Å²	70	66.7 Å²	66.7	46%	0.455	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	140.9	173.8	-20.6	34.9	0	0	0	110.3	A10 L80 V109 S110	P8-A10 PolarHBondContact O-N 3.24Å; P8-L80 CarbonylContact C-O 3.54Å; P8-L80 WeakPolarHBondContact CA-O 3.34Å; P8-V109 HydrophobicContact CB-CG1 4.49Å; P8-V109 HydrophobicContact CG-CG1 4.21Å; P8-S110 WeakPolarHBondContact CD-O 3.32Å; P8-S110 VanDerWaalsContact CG-O 3.27Å; P8-S110 WeakPolarHBondContact CG-O 3.4Å
9	G	92.8	Very high	86.8	Confident	55 Å²	55	67.6 Å²	67.6	57%	0.567	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-10.9	-175.6	0	0	0	0	0	115.1	L80	G9-L80 PolarHBondContact N-O 3.28Å
10	A	94.4	Very high	86.3	Confident	36 Å²	36	68.1 Å²	68.1	30%	0.298	44%	0.438	S	S	.	.			trans	-70.1	167.8	175.2	0	0	0	0	0	111.7	K7 P8 S79 L80	K7-A10 WeakPolarHBondContact O-CB 3.38Å; K7-A10 PolarHBondContact O-N 3.02Å; K7-A10 VanDerWaalsContact O-N 3.12Å; P8-A10 PolarHBondContact O-N 3.24Å; A10-S79 PolarHBondContact O-N 2.85Å; A10-L80 WeakPolarHBondContact O-CB 3.18Å; A10-L80 WeakPolarHBondContact O-CG 3.42Å; A10-L80 PolarHBondContact O-N 3.05Å
11	S	95.3	Very high	85.8	Confident	68 Å²	68	71.2 Å²	71.2	48%	0.476	44%	0.442	S	S	.	.			trans	-110.7	149.7	167.2	-57	0	0	0	0	110	L77	S11-L77 CarbonylContact C-O 3.47Å; S11-L77 WeakPolarHBondContact CA-O 3.46Å; S11-L77 WeakPolarHBondContact CB-O 3.48Å
12	V	95.2	Very high	87.3	Confident	16 Å²	16	70.6 Å²	70.6	10%	0.097	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140	174.1	75	0	0	0	0	110.1	E4 M14 Q76 L77 L80 V107	E4-V12 HydrophobicContact CB-CG2 4.17Å; E4-V12 VanDerWaalsContact CD-CG2 3.43Å; E4-V12 HydrophobicContact CG-CG2 4.35Å; E4-V12 WeakPolarHBondContact OE2-CG2 3.33Å; V12-M14 HydrophobicContact CG1-CE 4.24Å; V12-Q76 CarbonylContact O-C 3.52Å; V12-Q76 VanDerWaalsContact O-CA 3.29Å; V12-Q76 WeakPolarHBondContact O-CA 3.29Å; V12-L77 HydrophobicContact CG1-CB 4.14Å; V12-L77 HydrophobicContact CG1-CD1 4.4Å; V12-L77 PolarHBondContact N-O 2.86Å; V12-L77 PolarHBondContact O-N 2.91Å; V12-L80 HydrophobicContact CB-CD1 3.96Å; V12-L80 HydrophobicContact CG1-CD1 3.85Å; V12-L80 HydrophobicContact CG1-CD2 4.39Å; V12-V107 HydrophobicContact CG1-CG1 4.38Å; V12-V107 HydrophobicContact CG1-CG2 4.32Å
13	K	95.7	Very high	88.5	Confident	112 Å²	112	68.4 Å²	68.4	49%	0.487	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113	-179.7	-176.6	179.2	179.5	178.6	0	109.6	M75 Q76	K13-M75 WeakPolarHBondContact CA-O 3.27Å; K13-Q76 HydrophobicContact CB-CB 4.48Å
14	M	95.3	Very high	89.3	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.015	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	151.4	177.1	58.6	-168.9	78.7	0	0	111.2	V12 W30 Y74 M75 L77 Y88 V107	V12-M14 HydrophobicContact CG1-CE 4.24Å; M14-W30 HydrophobicContact CB-CH2 4.48Å; M14-W30 HydrophobicContact CB-CZ3 4.37Å; M14-W30 HydrophobicContact CG-CE3 4.24Å; M14-W30 HydrophobicContact CG-CH2 3.75Å; M14-W30 HydrophobicContact CG-CZ3 3.45Å; M14-W30 VanDerWaalsContact CG-CZ3 3.45Å; M14-W30 HydrophobicContact SD-CE3 3.94Å; M14-W30 HydrophobicContact SD-CH2 4.42Å; M14-W30 HydrophobicContact SD-CZ3 3.54Å; M14-W30 VanDerWaalsContact SD-CZ3 3.54Å; M14-Y74 WeakPolarHBondContact O-CA 3.42Å; M14-Y74 WeakPolarHBondContact O-CB 3.39Å; M14-M75 HydrophobicContact CE-CE 3.52Å; M14-M75 HydrophobicContact CG-CB 3.9Å; M14-M75 HydrophobicContact CG-CE 4.18Å; M14-M75 WeakPolarHBondContact CG-O 3.14Å; M14-M75 PolarHBondContact N-O 3.05Å; M14-M75 PolarHBondContact O-N 3.22Å; M14-M75 HydrophobicContact SD-CB 4.4Å; M14-M75 HydrophobicContact SD-CE 3.21Å; M14-M75 WeakPolarHBondContact SD-CE 3.44Å; M14-L77 HydrophobicContact CE-CD1 3.78Å; M14-L77 HydrophobicContact CE-CG 4.37Å; M14-Y88 HydrophobicContact CE-CD1 4.3Å; M14-Y88 HydrophobicContact CE-CD2 4.12Å; M14-Y88 HydrophobicContact CE-CG 3.87Å; M14-Y88 VanDerWaalsContact SD-CB 3.51Å; M14-Y88 HydrophobicContact SD-CD1 4.43Å; M14-Y88 HydrophobicContact SD-CG 4.01Å; M14-V107 HydrophobicContact CE-CG2 4.04Å
15	S	95.5	Very high	89.7	Confident	50 Å²	50	67 Å²	67	35%	0.35	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.9	-179	62.9	0	0	0	0	111.6	A73 Y74	S15-A73 CarbonylContact C-O 3.49Å; S15-A73 WeakPolarHBondContact CA-O 3.27Å; S15-Y74 VanDerWaalsContact CB-CE1 3.49Å
16	C	94.5	Very high	89.9	Confident	11 Å²	11	62.2 Å²	62.2	7%	0.074	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	111.6	173	-176.4	0	0	0	0	108.8	M28 W30 T72 A73 C90	C16-M28 HydrophobicContact CB-SD 4.39Å; C16-M28 VanDerWaalsContact SG-SD 3.67Å; C16-W30 HydrophobicContact CB-CH2 3.77Å; C16-W30 HydrophobicContact CB-CZ2 3.94Å; C16-T72 CarbonylContact O-C 3.58Å; C16-T72 WeakPolarHBondContact O-CA 2.98Å; C16-A73 PolarHBondContact N-O 3.08Å; C16-A73 PolarHBondContact O-N 3.02Å; C16-C90 HydrophobicContact CB-CB 3.42Å; C16-C90 VanDerWaalsContact CB-CB 3.42Å; C16-C90 WeakPolarHBondContact CB-SG 3.45Å; C16-C90 WeakPolarHBondContact SG-CB 2.9Å; C16-C90 CovalentContact SG-SG 2.02Å; C16-C90 PolarHBondContact SG-SG 3.34Å
17	K	92.9	Very high	90.1	Very high	155 Å²	155	66 Å²	66	67%	0.674	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.8	179.4	-175.2	173.7	-176	177.7	0	108.9
18	A	88.8	Confident	90.4	Very high	14 Å²	14	58.3 Å²	58.3	12%	0.116	35%	0.35	C	S	.	.			trans	-70.8	149.4	176.6	0	0	0	0	0	111.1	F23 S71 E92	A18-F23 HydrophobicContact CB-CB 4.16Å; A18-F23 HydrophobicContact CB-CD2 3.48Å; A18-F23 VanDerWaalsContact CB-CD2 3.48Å; A18-F23 HydrophobicContact CB-CE2 4.25Å; A18-F23 HydrophobicContact CB-CG 4.19Å; A18-S71 PolarHBondContact N-O 3.04Å; A18-E92 VanDerWaalsContact CA-OE1 3.26Å; A18-E92 WeakPolarHBondContact CA-OE1 3.44Å; A18-E92 WeakPolarHBondContact CB-OE1 3.28Å
19	S	81.8	Confident	90.5	Very high	84 Å²	84	55.5 Å²	55.5	59%	0.587	33%	0.331	S	S	*	.			trans	-138.4	136.6	179.7	62.3	0	0	0	0	111.4	Y21	S19-Y21 WeakPolarHBondContact O-CD2 3.43Å; S19-Y21 PolarHBondContact O-N 2.64Å
20	G	75.6	Confident	90.7	Very high	78 Å²	78	53 Å²	53	80%	0.804	31%	0.305	S	S	*	.	S	Bend	trans	87.4	-10.2	170.8	0	0	0	0	0	116.2
21	Y	76.3	Confident	90.9	Very high	133 Å²	133	51.6 Å²	51.6	52%	0.522	29%	0.292	S	S	.	.	S	Bend	trans	-139.4	168.4	-175.5	-53.7	-78	0	0	0	113.4	S19 F23 Y26 V100	S19-Y21 WeakPolarHBondContact O-CD2 3.43Å; S19-Y21 PolarHBondContact O-N 2.64Å; Y21-F23 PolarHBondContact O-N 3.02Å; Y21-F23 VanDerWaalsContact O-N 3.08Å; Y21-Y26 HydrophobicContact CD1-CE2 4.5Å; Y21-Y26 WeakPolarHBondContact CD1-OH 3.41Å; Y21-Y26 HydrophobicContact CG-CE2 4.17Å; Y21-Y26 AromaticContact CG-CZ 3.93Å; Y21-V100 HydrophobicContact CE2-CG2 4.34Å
22	T	86.6	Confident	90.9	Very high	90 Å²	90	48.4 Å²	48.4	55%	0.552	27%	0.27	S	S	*	.			trans	-70.8	100.7	171.4	-55.6	0	0	0	0	109.4	T24 S25	T22-T24 WeakPolarHBondContact CG2-OG1 3.34Å; T22-T24 PolarHBondContact O-N 2.8Å; T22-S25 WeakPolarHBondContact O-CB 3.37Å; T22-S25 PolarHBondContact O-N 2.86Å
23	F	88.6	Confident	91	Very high	9 Å²	9	50.8 Å²	50.8	4%	0.039	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-48	-34.9	-177.5	175.6	-122.9	0	0	0	114.5	A18 Y21 S25 M28 P47 A66 A73	A18-F23 HydrophobicContact CB-CB 4.16Å; A18-F23 HydrophobicContact CB-CD2 3.48Å; A18-F23 VanDerWaalsContact CB-CD2 3.48Å; A18-F23 HydrophobicContact CB-CE2 4.25Å; A18-F23 HydrophobicContact CB-CG 4.19Å; Y21-F23 PolarHBondContact O-N 3.02Å; Y21-F23 VanDerWaalsContact O-N 3.08Å; F23-S25 VanDerWaalsContact C-N 3.26Å; F23-S25 PolarHBondContact O-N 2.76Å; F23-M28 HydrophobicContact CE2-CE 4.03Å; F23-P47 HydrophobicContact CD1-CB 3.84Å; F23-P47 HydrophobicContact CD1-CG 4.43Å; F23-P47 HydrophobicContact CD2-CB 4.46Å; F23-P47 HydrophobicContact CD2-CG 4.18Å; F23-P47 HydrophobicContact CE1-CB 3.49Å; F23-P47 VanDerWaalsContact CE1-CB 3.49Å; F23-P47 HydrophobicContact CE1-CG 4.06Å; F23-P47 HydrophobicContact CE2-CB 4.14Å; F23-P47 HydrophobicContact CE2-CG 3.76Å; F23-P47 HydrophobicContact CG-CB 4.35Å; F23-P47 HydrophobicContact CZ-CB 3.65Å; F23-P47 HydrophobicContact CZ-CG 3.7Å; F23-P47 WeakPolarHBondContact O-CG 3.21Å; F23-A66 HydrophobicContact CE1-CB 4.11Å; F23-A66 HydrophobicContact CZ-CB 3.99Å; F23-A73 HydrophobicContact CE2-CB 4.17Å; F23-A73 HydrophobicContact CZ-CB 3.98Å
24	T	90.9	Very high	91	Very high	50 Å²	50	48 Å²	48	31%	0.307	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-76.3	-9.2	179.9	54	0	0	0	0	114.5	T22 S48 K68	T22-T24 WeakPolarHBondContact CG2-OG1 3.34Å; T22-T24 PolarHBondContact O-N 2.8Å; T24-S48 WeakPolarHBondContact O-CB 3.4Å; T24-K68 HydrophobicContact CG2-CD 4.32Å; T24-K68 HydrophobicContact CG2-CG 4.09Å
25	S	88.8	Confident	90.7	Very high	64 Å²	64	53.5 Å²	53.5	45%	0.448	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-90.9	-8.5	179.9	-60.6	0	0	0	0	113.4	T22 F23	T22-S25 WeakPolarHBondContact O-CB 3.37Å; T22-S25 PolarHBondContact O-N 2.86Å; F23-S25 VanDerWaalsContact C-N 3.26Å; F23-S25 PolarHBondContact O-N 2.76Å
26	Y	89	Confident	90.5	Very high	33 Å²	33	55.6 Å²	55.6	13%	0.129	33%	0.331	C	S	.	.	S	Bend	trans	-118.6	149.5	-173.3	-70.7	-114.2	0	0	0	109.8	Y21 P47 E92 D93 Y94	Y21-Y26 HydrophobicContact CD1-CE2 4.5Å; Y21-Y26 WeakPolarHBondContact CD1-OH 3.41Å; Y21-Y26 HydrophobicContact CG-CE2 4.17Å; Y21-Y26 AromaticContact CG-CZ 3.93Å; Y26-P47 WeakPolarHBondContact O-CD 3.43Å; Y26-E92 HydrophobicContact CD1-CB 4.05Å; Y26-D93 VanDerWaalsContact CA-O 3.32Å; Y26-D93 WeakPolarHBondContact CA-O 3.36Å; Y26-Y94 HydrophobicContact CD1-CG 4.49Å; Y26-Y94 HydrophobicContact CD2-CD2 4.21Å; Y26-Y94 HydrophobicContact CE1-CD2 4.2Å; Y26-Y94 AromaticContact CE1-CG 3.98Å; Y26-Y94 HydrophobicContact CE1-CG 3.98Å; Y26-Y94 AromaticContact CE2-CD2 3.77Å; Y26-Y94 HydrophobicContact CE2-CD2 3.77Å; Y26-Y94 HydrophobicContact CE2-CE2 4.45Å; Y26-Y94 HydrophobicContact CE2-CG 4.33Å; Y26-Y94 HydrophobicContact CG-CD2 4.5Å; Y26-Y94 AromaticContact CZ-CD2 3.74Å; Y26-Y94 AromaticContact CZ-CG 3.82Å
27	W	92.8	Very high	90.4	Very high	90 Å²	90	59.8 Å²	59.8	34%	0.341	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.5	167.1	-64.1	2.4	0	0	0	109	Y44 N46 D93	W27-Y44 HydrophobicContact CB-CD2 4.21Å; W27-Y44 AromaticContact CD2-CD2 3.99Å; W27-Y44 HydrophobicContact CD2-CD2 3.99Å; W27-Y44 AromaticContact CD2-CE2 3.73Å; W27-Y44 HydrophobicContact CD2-CE2 3.73Å; W27-Y44 HydrophobicContact CE3-CD1 4.14Å; W27-Y44 AromaticContact CE3-CD2 3.75Å; W27-Y44 HydrophobicContact CE3-CD2 3.75Å; W27-Y44 AromaticContact CE3-CE1 3.9Å; W27-Y44 HydrophobicContact CE3-CE1 3.9Å; W27-Y44 AromaticContact CE3-CE2 3.42Å; W27-Y44 HydrophobicContact CE3-CE2 3.42Å; W27-Y44 VanDerWaalsContact CE3-CE2 3.42Å; W27-Y44 HydrophobicContact CE3-CG 4.14Å; W27-Y44 AromaticContact CE3-CZ 3.52Å; W27-Y44 HydrophobicContact CG-CD2 4.2Å; W27-Y44 HydrophobicContact CG-CE2 4.35Å; W27-Y44 HydrophobicContact CH2-CE2 4.29Å; W27-Y44 HydrophobicContact CZ3-CD1 4.48Å; W27-Y44 HydrophobicContact CZ3-CD2 4.46Å; W27-Y44 AromaticContact CZ3-CE1 3.81Å; W27-Y44 HydrophobicContact CZ3-CE1 3.81Å; W27-Y44 AromaticContact CZ3-CE2 3.73Å; W27-Y44 HydrophobicContact CZ3-CE2 3.73Å; W27-Y44 AromaticContact CZ3-CZ 3.37Å; W27-Y44 VanDerWaalsContact CZ3-OH 3.3Å; W27-Y44 WeakPolarHBondContact CZ3-OH 3.39Å; W27-N46 PolarHBondContact NE1-ND2 3.49Å; W27-D93 PolarHBondContact N-O 3.27Å; W27-D93 PolarHBondContact O-N 3.48Å
28	M	94.4	Very high	90.4	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	111.7	175.7	-174	67	65.8	0	0	109.5	C16 F23 Y44 I45 A73 C90 E92	C16-M28 HydrophobicContact CB-SD 4.39Å; C16-M28 VanDerWaalsContact SG-SD 3.67Å; F23-M28 HydrophobicContact CE2-CE 4.03Å; M28-Y44 CarbonylContact O-C 3.43Å; M28-Y44 WeakPolarHBondContact O-CA 3.25Å; M28-Y44 WeakPolarHBondContact O-CB 2.91Å; M28-I45 HydrophobicContact CB-CG2 3.97Å; M28-I45 PolarHBondContact N-O 2.93Å; M28-I45 PolarHBondContact O-N 3.41Å; M28-A73 HydrophobicContact CB-CB 3.98Å; M28-A73 HydrophobicContact CE-CB 4.4Å; M28-A73 HydrophobicContact CG-CB 3.55Å; M28-C90 HydrophobicContact CG-CB 4.47Å; M28-C90 HydrophobicContact SD-CB 3.72Å; M28-E92 HydrophobicContact CE-CG 3.66Å; M28-E92 HydrophobicContact SD-CG 4.12Å
29	H	95.8	Very high	90.7	Very high	12 Å²	12	59 Å²	59	6%	0.056	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	150.6	178.8	-67	-119.3	0	0	0	110.8	W41 G43 Y44 C90 A91 D93 F98	H29-W41 AromaticContact CG-NE1 3.95Å; H29-W41 AromaticContact ND1-CD1 4Å; H29-W41 AromaticContact ND1-NE1 3.2Å; H29-W41 PolarHBondContact ND1-NE1 3.07Å; H29-G43 WeakPolarHBondContact CA-O 3.21Å; H29-Y44 AromaticContact CE1-CD1 3.61Å; H29-Y44 AromaticContact CE1-CG 3.81Å; H29-Y44 AromaticContact NE2-CG 3.97Å; H29-C90 CarbonylContact O-C 3.57Å; H29-C90 WeakPolarHBondContact O-CA 3.5Å; H29-A91 PolarHBondContact N-O 3.06Å; H29-A91 PolarHBondContact O-N 2.87Å; H29-D93 IonicContact NE2-OD2 3.81Å; H29-F98 HydrophobicContact CB-CE1 3.64Å; H29-F98 HydrophobicContact CB-CZ 4.34Å; H29-F98 AromaticContact CD2-CE1 3.63Å; H29-F98 AromaticContact CE1-CE1 3.89Å; H29-F98 AromaticContact CE1-CZ 3.94Å; H29-F98 AromaticContact CG-CE1 3.34Å; H29-F98 AromaticContact CG-CZ 3.92Å; H29-F98 AromaticContact ND1-CE1 3.5Å; H29-F98 AromaticContact ND1-CZ 3.57Å
30	W	97.3	Very high	91.4	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.011	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.7	175.3	-68.4	88	0	0	0	110.4	M14 C16 I42 G43 L64 A73 M75 Y89 C90	M14-W30 HydrophobicContact CB-CH2 4.48Å; M14-W30 HydrophobicContact CB-CZ3 4.37Å; M14-W30 HydrophobicContact CG-CE3 4.24Å; M14-W30 HydrophobicContact CG-CH2 3.75Å; M14-W30 HydrophobicContact CG-CZ3 3.45Å; M14-W30 VanDerWaalsContact CG-CZ3 3.45Å; M14-W30 HydrophobicContact SD-CE3 3.94Å; M14-W30 HydrophobicContact SD-CH2 4.42Å; M14-W30 HydrophobicContact SD-CZ3 3.54Å; M14-W30 VanDerWaalsContact SD-CZ3 3.54Å; C16-W30 HydrophobicContact CB-CH2 3.77Å; C16-W30 HydrophobicContact CB-CZ2 3.94Å; W30-I42 HydrophobicContact CB-CB 4.16Å; W30-I42 HydrophobicContact CB-CD1 4.29Å; W30-I42 WeakPolarHBondContact O-CB 3.34Å; W30-I42 PolarHBondContact O-N 2.81Å; W30-G43 PolarHBondContact N-O 2.97Å; W30-L64 VanDerWaalsContact CD1-CD2 3.47Å; W30-L64 HydrophobicContact CG-CD2 3.99Å; W30-A73 HydrophobicContact CZ2-CB 4.4Å; W30-M75 HydrophobicContact CB-SD 3.9Å; W30-M75 HydrophobicContact CD2-CB 3.59Å; W30-M75 HydrophobicContact CD2-CE 4.47Å; W30-M75 HydrophobicContact CD2-CG 4.47Å; W30-M75 HydrophobicContact CD2-SD 4.21Å; W30-M75 HydrophobicContact CE3-CB 3.85Å; W30-M75 HydrophobicContact CE3-CE 3.99Å; W30-M75 HydrophobicContact CE3-SD 4.33Å; W30-M75 HydrophobicContact CG-CB 4.09Å; W30-M75 HydrophobicContact CG-SD 4.05Å; W30-M75 HydrophobicContact CH2-CB 4.13Å; W30-M75 HydrophobicContact CZ2-CB 3.91Å; W30-M75 HydrophobicContact CZ3-CB 4.11Å; W30-Y89 WeakPolarHBondContact CA-O 3.48Å; W30-C90 HydrophobicContact CD2-CB 4.4Å; W30-C90 HydrophobicContact CE3-CB 4.21Å; W30-C90 HydrophobicContact CH2-CB 4.27Å; W30-C90 HydrophobicContact CZ2-CB 4.44Å; W30-C90 HydrophobicContact CZ3-CB 4.13Å
31	V	97.1	Very high	92.4	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.036	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.9	-172.3	-176.3	0	0	0	0	109.6	L39 E40 Y88 Y89 W101	V31-L39 HydrophobicContact CG1-CB 3.74Å; V31-L39 HydrophobicContact CG1-CD2 3.93Å; V31-L39 HydrophobicContact CG1-CG 4.26Å; V31-E40 CarbonylContact C-O 3.57Å; V31-E40 WeakPolarHBondContact CA-O 3.4Å; V31-Y88 CarbonylContact O-C 3.56Å; V31-Y88 WeakPolarHBondContact O-CA 3.48Å; V31-Y89 PolarHBondContact N-O 2.9Å; V31-Y89 PolarHBondContact O-N 3.37Å; V31-W101 HydrophobicContact CB-CH2 4.32Å; V31-W101 HydrophobicContact CB-CZ3 4.02Å; V31-W101 HydrophobicContact CG1-CH2 4.35Å; V31-W101 HydrophobicContact CG1-CZ3 4.27Å; V31-W101 HydrophobicContact CG2-CH2 3.86Å; V31-W101 HydrophobicContact CG2-CZ3 3.95Å
32	K	97	Very high	93.4	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138	174.3	-176.7	178.9	-176.8	176.5	0	109.8	R34 E40 I42 F58 E83 D84 A86 Y88	K32-R34 VanDerWaalsContact NZ-NH2 3.18Å; K32-E40 HydrophobicContact CB-CB 4.35Å; K32-E40 PolarHBondContact N-O 2.9Å; K32-E40 PolarHBondContact O-N 2.96Å; K32-I42 HydrophobicContact CB-CD1 4.05Å; K32-I42 HydrophobicContact CB-CG1 4.22Å; K32-F58 HydrophobicContact CD-CE1 4Å; K32-F58 HydrophobicContact CD-CZ 4.03Å; K32-E83 PolarHBondContact NZ-O 2.91Å; K32-D84 IonicContact NZ-OD1 3.44Å; K32-D84 PolarHBondContact NZ-OD1 2.83Å; K32-A86 HydrophobicContact CD-CB 4.23Å; K32-A86 HydrophobicContact CG-CB 3.6Å; K32-Y88 HydrophobicContact CB-CD1 4.1Å; K32-Y88 HydrophobicContact CB-CE1 3.85Å; K32-Y88 HydrophobicContact CD-CE1 3.92Å; K32-Y88 WeakPolarHBondContact CE-OH 3.45Å; K32-Y88 HydrophobicContact CG-CD1 4.27Å; K32-Y88 HydrophobicContact CG-CE1 3.72Å
33	Q	96.7	Very high	93.9	Very high	65 Å²	65	45.8 Å²	45.8	30%	0.304	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	113	170.9	-170.6	-178	38.7	0	0	109.9	L39 A86 V87 Y89	Q33-L39 HydrophobicContact CB-CD2 3.85Å; Q33-L39 HydrophobicContact CG-CD2 3.94Å; Q33-A86 WeakPolarHBondContact O-CB 2.92Å; Q33-V87 PolarHBondContact N-O 3.44Å; Q33-V87 PolarHBondContact O-N 2.84Å; Q33-Y89 HydrophobicContact CB-CD2 4.34Å; Q33-Y89 HydrophobicContact CB-CE2 3.71Å; Q33-Y89 VanDerWaalsContact OE1-CE2 3.29Å; Q33-Y89 PolarHBondContact OE1-OH 2.79Å
34	R	94.3	Very high	94.3	Very high	55 Å²	55	46.4 Å²	46.4	21%	0.208	27%	0.269	C	S	.	.			trans	-83.2	150.1	169.8	-61.2	-164.5	-169.5	86.1	2.5	110.4	K32 G36 Q37 E40 E83 A86	K32-R34 VanDerWaalsContact NZ-NH2 3.18Å; R34-G36 PolarHBondContact O-N 2.88Å; R34-Q37 HydrophobicContact CB-CB 4.02Å; R34-Q37 HydrophobicContact CB-CG 4.01Å; R34-Q37 PolarHBondContact O-N 2.89Å; R34-E40 IonicContact CZ-OE1 3.41Å; R34-E40 IonicContact NH1-OE1 2.64Å; R34-E40 PolarHBondContact NH1-OE1 2.81Å; R34-E40 IonicContact NH2-OE1 3.7Å; R34-E83 PolarHBondContact NE-O 3.09Å; R34-A86 HydrophobicContact CG-CB 4.24Å
35	P	90	Very high	94.6	Very high	118 Å²	118	44.2 Å²	44.2	77%	0.766	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	126.8	173.2	-25.6	34.7	0	0	0	111.5	Q37	P35-Q37 PolarHBondContact O-N 3.38Å
36	G	91.4	Very high	94.9	Very high	93 Å²	93	42.5 Å²	42.5	96%	0.959	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	6.7	-179.8	0	0	0	0	0	115.7	R34	R34-G36 PolarHBondContact O-N 2.88Å
37	Q	92.8	Very high	95.2	Very high	99 Å²	99	41.1 Å²	41.1	46%	0.463	24%	0.237	S	C	.	.	S	Bend	trans	-114.5	161.6	176.5	-58.4	-173	2.2	0	0	111.7	R34 P35	R34-Q37 HydrophobicContact CB-CB 4.02Å; R34-Q37 HydrophobicContact CB-CG 4.01Å; R34-Q37 PolarHBondContact O-N 2.89Å; P35-Q37 PolarHBondContact O-N 3.38Å
38	G	92.8	Very high	95.3	Very high	57 Å²	57	39.4 Å²	39.4	59%	0.588	24%	0.239	S	C	*	.			trans	-67.7	174.1	173	0	0	0	0	0	113.1
39	L	95	Very high	95.3	Very high	97 Å²	97	43.9 Å²	43.9	51%	0.508	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.5	174.1	-63.9	178.7	0	0	0	110.4	V31 Q33 W101	V31-L39 HydrophobicContact CG1-CB 3.74Å; V31-L39 HydrophobicContact CG1-CD2 3.93Å; V31-L39 HydrophobicContact CG1-CG 4.26Å; Q33-L39 HydrophobicContact CB-CD2 3.85Å; Q33-L39 HydrophobicContact CG-CD2 3.94Å; L39-W101 HydrophobicContact CD1-CH2 3.94Å; L39-W101 HydrophobicContact CD1-CZ3 4.42Å
40	E	96.4	Very high	95.3	Very high	32 Å²	32	45.4 Å²	45.4	15%	0.15	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112.8	172.8	-70	-170.3	-82.9	0	0	109.7	V31 K32 R34 I42 K57 F58	V31-E40 CarbonylContact C-O 3.57Å; V31-E40 WeakPolarHBondContact CA-O 3.4Å; K32-E40 HydrophobicContact CB-CB 4.35Å; K32-E40 PolarHBondContact N-O 2.9Å; K32-E40 PolarHBondContact O-N 2.96Å; R34-E40 IonicContact CZ-OE1 3.41Å; R34-E40 IonicContact NH1-OE1 2.64Å; R34-E40 PolarHBondContact NH1-OE1 2.81Å; R34-E40 IonicContact NH2-OE1 3.7Å; E40-I42 PolarHBondContact O-N 3.41Å; E40-K57 IonicContact OE2-NZ 3.04Å; E40-K57 PolarHBondContact OE2-NZ 2.82Å; E40-F58 HydrophobicContact CB-CE2 4.5Å; E40-F58 HydrophobicContact CB-CZ 4.48Å
41	W	96.4	Very high	95.3	Very high	75 Å²	75	51.3 Å²	51.3	28%	0.284	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.3	174.7	179.9	71.4	0	0	0	110.8	H29 G43 Y44 E53 N55	H29-W41 AromaticContact CG-NE1 3.95Å; H29-W41 AromaticContact ND1-CD1 4Å; H29-W41 AromaticContact ND1-NE1 3.2Å; H29-W41 PolarHBondContact ND1-NE1 3.07Å; W41-G43 VanDerWaalsContact CE2-CA 3.49Å; W41-G43 PolarHBondContact NE1-O 2.96Å; W41-G43 VanDerWaalsContact NE1-O 3.13Å; W41-Y44 HydrophobicContact CH2-CD1 4.28Å; W41-Y44 AromaticContact CZ2-CD1 3.58Å; W41-Y44 HydrophobicContact CZ2-CD1 3.58Å; W41-Y44 HydrophobicContact CZ2-CE1 4.35Å; W41-Y44 HydrophobicContact CZ2-CG 4.38Å; W41-E53 HydrophobicContact CH2-CB 4.44Å; W41-E53 HydrophobicContact CH2-CG 4.26Å; W41-N55 HydrophobicContact CE3-CB 3.89Å; W41-N55 HydrophobicContact CZ3-CB 4.04Å; W41-N55 VanDerWaalsContact O-CB 3.23Å; W41-N55 WeakPolarHBondContact O-CB 3.23Å; W41-N55 PolarHBondContact O-ND2 2.98Å
42	I	97.8	Very high	95.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-48.5	-177.8	-61.3	175.4	0	0	0	110.6	W30 K32 E40 Y54 N55 F58 A62 M75 Y88	W30-I42 HydrophobicContact CB-CB 4.16Å; W30-I42 HydrophobicContact CB-CD1 4.29Å; W30-I42 WeakPolarHBondContact O-CB 3.34Å; W30-I42 PolarHBondContact O-N 2.81Å; K32-I42 HydrophobicContact CB-CD1 4.05Å; K32-I42 HydrophobicContact CB-CG1 4.22Å; E40-I42 PolarHBondContact O-N 3.41Å; I42-Y54 WeakPolarHBondContact O-CA 3.42Å; I42-N55 PolarHBondContact O-N 2.82Å; I42-F58 HydrophobicContact CB-CD2 4.27Å; I42-F58 HydrophobicContact CB-CG 4.27Å; I42-F58 HydrophobicContact CG1-CD1 4.23Å; I42-F58 HydrophobicContact CG1-CD2 4.18Å; I42-F58 HydrophobicContact CG1-CE1 4.2Å; I42-F58 HydrophobicContact CG1-CE2 4.14Å; I42-F58 HydrophobicContact CG1-CG 4.22Å; I42-F58 HydrophobicContact CG1-CZ 4.15Å; I42-F58 HydrophobicContact CG2-CB 3.72Å; I42-F58 HydrophobicContact CG2-CD1 4.23Å; I42-F58 HydrophobicContact CG2-CD2 4.3Å; I42-F58 HydrophobicContact CG2-CG 3.84Å; I42-A62 HydrophobicContact CG2-CB 3.77Å; I42-M75 HydrophobicContact CD1-CE 3.71Å; I42-M75 HydrophobicContact CD1-SD 3.65Å; I42-M75 HydrophobicContact CG2-SD 3.88Å; I42-Y88 HydrophobicContact CD1-CD1 3.72Å; I42-Y88 HydrophobicContact CD1-CE1 3.81Å
43	G	97.3	Very high	95.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	175.9	-169.3	0	0	0	0	0	111.9	H29 W30 W41 E53	H29-G43 WeakPolarHBondContact CA-O 3.21Å; W30-G43 PolarHBondContact N-O 2.97Å; W41-G43 VanDerWaalsContact CE2-CA 3.49Å; W41-G43 PolarHBondContact NE1-O 2.96Å; W41-G43 VanDerWaalsContact NE1-O 3.13Å; G43-E53 CarbonylContact C-O 3.5Å; G43-E53 WeakPolarHBondContact CA-O 3.46Å
44	Y	96.7	Very high	95.4	Very high	21 Å²	21	56.5 Å²	56.5	8%	0.082	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	159.6	168.9	74	-105.5	0	0	0	111.6	W27 M28 H29 W41 Y51 T52 E53 L64	W27-Y44 HydrophobicContact CB-CD2 4.21Å; W27-Y44 AromaticContact CD2-CD2 3.99Å; W27-Y44 HydrophobicContact CD2-CD2 3.99Å; W27-Y44 AromaticContact CD2-CE2 3.73Å; W27-Y44 HydrophobicContact CD2-CE2 3.73Å; W27-Y44 HydrophobicContact CE3-CD1 4.14Å; W27-Y44 AromaticContact CE3-CD2 3.75Å; W27-Y44 HydrophobicContact CE3-CD2 3.75Å; W27-Y44 AromaticContact CE3-CE1 3.9Å; W27-Y44 HydrophobicContact CE3-CE1 3.9Å; W27-Y44 AromaticContact CE3-CE2 3.42Å; W27-Y44 HydrophobicContact CE3-CE2 3.42Å; W27-Y44 VanDerWaalsContact CE3-CE2 3.42Å; W27-Y44 HydrophobicContact CE3-CG 4.14Å; W27-Y44 AromaticContact CE3-CZ 3.52Å; W27-Y44 HydrophobicContact CG-CD2 4.2Å; W27-Y44 HydrophobicContact CG-CE2 4.35Å; W27-Y44 HydrophobicContact CH2-CE2 4.29Å; W27-Y44 HydrophobicContact CZ3-CD1 4.48Å; W27-Y44 HydrophobicContact CZ3-CD2 4.46Å; W27-Y44 AromaticContact CZ3-CE1 3.81Å; W27-Y44 HydrophobicContact CZ3-CE1 3.81Å; W27-Y44 AromaticContact CZ3-CE2 3.73Å; W27-Y44 HydrophobicContact CZ3-CE2 3.73Å; W27-Y44 AromaticContact CZ3-CZ 3.37Å; W27-Y44 VanDerWaalsContact CZ3-OH 3.3Å; W27-Y44 WeakPolarHBondContact CZ3-OH 3.39Å; M28-Y44 CarbonylContact O-C 3.43Å; M28-Y44 WeakPolarHBondContact O-CA 3.25Å; M28-Y44 WeakPolarHBondContact O-CB 2.91Å; H29-Y44 AromaticContact CE1-CD1 3.61Å; H29-Y44 AromaticContact CE1-CG 3.81Å; H29-Y44 AromaticContact NE2-CG 3.97Å; W41-Y44 HydrophobicContact CH2-CD1 4.28Å; W41-Y44 AromaticContact CZ2-CD1 3.58Å; W41-Y44 HydrophobicContact CZ2-CD1 3.58Å; W41-Y44 HydrophobicContact CZ2-CE1 4.35Å; W41-Y44 HydrophobicContact CZ2-CG 4.38Å; Y44-Y51 HydrophobicContact CE2-CD1 4.06Å; Y44-Y51 HydrophobicContact CE2-CE1 4.22Å; Y44-T52 VanDerWaalsContact O-CA 3.29Å; Y44-T52 WeakPolarHBondContact O-CA 3.2Å; Y44-E53 HydrophobicContact CD1-CB 4.15Å; Y44-E53 HydrophobicContact CE1-CB 3.63Å; Y44-E53 HydrophobicContact CE1-CG 4.42Å; Y44-E53 HydrophobicContact CE2-CB 4.48Å; Y44-E53 PolarHBondContact N-O 3.13Å; Y44-E53 PolarHBondContact O-N 3.46Å; Y44-E53 VanDerWaalsContact O-N 3.09Å; Y44-E53 PolarHBondContact OH-OE2 3.44Å; Y44-L64 VanDerWaalsContact C-CD1 3.49Å; Y44-L64 WeakPolarHBondContact O-CD1 3.39Å
45	I	97	Very high	95.6	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135	168.7	-175.3	165.3	0	0	0	109.9	M28 P47 Y51 T52 L64 A66	M28-I45 HydrophobicContact CB-CG2 3.97Å; M28-I45 PolarHBondContact N-O 2.93Å; M28-I45 PolarHBondContact O-N 3.41Å; I45-P47 VanDerWaalsContact O-CD 3.28Å; I45-P47 WeakPolarHBondContact O-CD 3.33Å; I45-Y51 CarbonylContact C-O 3.59Å; I45-Y51 WeakPolarHBondContact CA-O 3.38Å; I45-T52 HydrophobicContact CB-CG2 3.88Å; I45-T52 HydrophobicContact CD1-CG2 3.88Å; I45-T52 HydrophobicContact CG1-CG2 3.75Å; I45-L64 HydrophobicContact CB-CB 4.11Å; I45-L64 HydrophobicContact CG2-CB 4.44Å; I45-A66 HydrophobicContact CD1-CB 3.89Å
46	N	95.4	Very high	95.8	Very high	28 Å²	28	57 Å²	57	15%	0.15	33%	0.33	C	S	.	.			trans	-83.5	109.4	164	179.7	-32.5	0	0	0	108.2	W27 S48 T49 G50 Y51	W27-N46 PolarHBondContact NE1-ND2 3.49Å; N46-S48 PolarHBondContact O-N 2.95Å; N46-S48 WeakPolarHBondContact OD1-CA 3.47Å; N46-S48 VanDerWaalsContact OD1-CB 3.22Å; N46-S48 WeakPolarHBondContact OD1-CB 3.16Å; N46-S48 PolarHBondContact OD1-N 3.04Å; N46-T49 PolarHBondContact O-N 3.1Å; N46-T49 PolarHBondContact OD1-N 3.01Å; N46-G50 WeakPolarHBondContact O-CA 3.18Å; N46-G50 PolarHBondContact O-N 2.62Å; N46-Y51 PolarHBondContact N-O 2.81Å
47	P	94.9	Very high	96	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.019	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-21	-176.2	-20.4	35.3	0	0	0	113.7	F23 Y26 I45 A66 K68	F23-P47 HydrophobicContact CD1-CB 3.84Å; F23-P47 HydrophobicContact CD1-CG 4.43Å; F23-P47 HydrophobicContact CD2-CB 4.46Å; F23-P47 HydrophobicContact CD2-CG 4.18Å; F23-P47 HydrophobicContact CE1-CB 3.49Å; F23-P47 VanDerWaalsContact CE1-CB 3.49Å; F23-P47 HydrophobicContact CE1-CG 4.06Å; F23-P47 HydrophobicContact CE2-CB 4.14Å; F23-P47 HydrophobicContact CE2-CG 3.76Å; F23-P47 HydrophobicContact CG-CB 4.35Å; F23-P47 HydrophobicContact CZ-CB 3.65Å; F23-P47 HydrophobicContact CZ-CG 3.7Å; F23-P47 WeakPolarHBondContact O-CG 3.21Å; Y26-P47 WeakPolarHBondContact O-CD 3.43Å; I45-P47 VanDerWaalsContact O-CD 3.28Å; I45-P47 WeakPolarHBondContact O-CD 3.33Å; P47-A66 HydrophobicContact CB-CB 3.95Å; P47-K68 WeakPolarHBondContact O-CE 3.4Å
48	S	94.2	Very high	96.1	Very high	55 Å²	55	55.3 Å²	55.3	39%	0.385	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-46.9	176.5	-173.2	0	0	0	0	111.9	T24 N46 K68	T24-S48 WeakPolarHBondContact O-CB 3.4Å; N46-S48 PolarHBondContact O-N 2.95Å; N46-S48 WeakPolarHBondContact OD1-CA 3.47Å; N46-S48 VanDerWaalsContact OD1-CB 3.22Å; N46-S48 WeakPolarHBondContact OD1-CB 3.16Å; N46-S48 PolarHBondContact OD1-N 3.04Å; S48-K68 VanDerWaalsContact O-CE 3.32Å; S48-K68 WeakPolarHBondContact O-CE 3.5Å; S48-K68 PolarHBondContact O-NZ 2.89Å
49	T	95.7	Very high	96.2	Very high	96 Å²	96	58 Å²	58	59%	0.589	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-18.5	-173	62.8	0	0	0	0	113.8	N46 Y51	N46-T49 PolarHBondContact O-N 3.1Å; N46-T49 PolarHBondContact OD1-N 3.01Å; T49-Y51 PolarHBondContact O-N 2.86Å; T49-Y51 WeakPolarHBondContact OG1-CB 3.38Å; T49-Y51 PolarHBondContact OG1-N 3.5Å
50	G	95.8	Very high	96.2	Very high	44 Å²	44	60.9 Å²	60.9	45%	0.454	31%	0.305	S	S	.	.			trans	74.4	5.4	-169.6	0	0	0	0	0	113.7	N46 T52	N46-G50 WeakPolarHBondContact O-CA 3.18Å; N46-G50 PolarHBondContact O-N 2.62Å; G50-T52 PolarHBondContact O-N 2.87Å
51	Y	96.7	Very high	96.2	Very high	128 Å²	128	61.4 Å²	61.4	50%	0.502	31%	0.307	S	S	.	.			trans	-61.9	135.5	175.7	178.6	-97.1	0	0	0	110.3	Y44 I45 N46 T49 E53	Y44-Y51 HydrophobicContact CE2-CD1 4.06Å; Y44-Y51 HydrophobicContact CE2-CE1 4.22Å; I45-Y51 CarbonylContact C-O 3.59Å; I45-Y51 WeakPolarHBondContact CA-O 3.38Å; N46-Y51 PolarHBondContact N-O 2.81Å; T49-Y51 PolarHBondContact O-N 2.86Å; T49-Y51 WeakPolarHBondContact OG1-CB 3.38Å; T49-Y51 PolarHBondContact OG1-N 3.5Å; Y51-E53 HydrophobicContact CE1-CB 4.25Å
52	T	97.7	Very high	96.3	Very high	45 Å²	45	58 Å²	58	28%	0.276	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.4	179.9	51.4	0	0	0	0	110.7	Y44 I45 G50 Y54 L64	Y44-T52 VanDerWaalsContact O-CA 3.29Å; Y44-T52 WeakPolarHBondContact O-CA 3.2Å; I45-T52 HydrophobicContact CB-CG2 3.88Å; I45-T52 HydrophobicContact CD1-CG2 3.88Å; I45-T52 HydrophobicContact CG1-CG2 3.75Å; G50-T52 PolarHBondContact O-N 2.87Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.36Å; T52-L64 HydrophobicContact CG2-CB 3.91Å
53	E	97.4	Very high	96.3	Very high	84 Å²	84	61.2 Å²	61.2	39%	0.393	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.6	169	-166.3	174.2	157.8	0	0	109	W41 G43 Y44 Y51	W41-E53 HydrophobicContact CH2-CB 4.44Å; W41-E53 HydrophobicContact CH2-CG 4.26Å; G43-E53 CarbonylContact C-O 3.5Å; G43-E53 WeakPolarHBondContact CA-O 3.46Å; Y44-E53 HydrophobicContact CD1-CB 4.15Å; Y44-E53 HydrophobicContact CE1-CB 3.63Å; Y44-E53 HydrophobicContact CE1-CG 4.42Å; Y44-E53 HydrophobicContact CE2-CB 4.48Å; Y44-E53 PolarHBondContact N-O 3.13Å; Y44-E53 PolarHBondContact O-N 3.46Å; Y44-E53 VanDerWaalsContact O-N 3.09Å; Y44-E53 PolarHBondContact OH-OE2 3.44Å; Y51-E53 HydrophobicContact CE1-CB 4.25Å
54	Y	98.1	Very high	96.4	Very high	51 Å²	51	61.6 Å²	61.6	20%	0.2	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.6	-175.3	-62.1	-93.3	0	0	0	110.4	I42 T52 A62 L64	I42-Y54 WeakPolarHBondContact O-CA 3.42Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.36Å; Y54-A62 HydrophobicContact CD1-CB 4.39Å; Y54-A62 HydrophobicContact CE1-CB 4.18Å; Y54-A62 WeakPolarHBondContact CE1-O 2.98Å; Y54-L64 HydrophobicContact CE1-CD1 4.06Å; Y54-L64 HydrophobicContact CE1-CG 3.68Å; Y54-L64 PolarHBondContact OH-N 3.2Å
55	N	97.2	Very high	96.4	Very high	48 Å²	48	63.4 Å²	63.4	26%	0.257	33%	0.33	S	S	.	.			trans	-64.9	135.5	157.1	-179.4	-29.9	0	0	0	109	W41 I42 K57 F58 K59	W41-N55 HydrophobicContact CE3-CB 3.89Å; W41-N55 HydrophobicContact CZ3-CB 4.04Å; W41-N55 VanDerWaalsContact O-CB 3.23Å; W41-N55 WeakPolarHBondContact O-CB 3.23Å; W41-N55 PolarHBondContact O-ND2 2.98Å; I42-N55 PolarHBondContact O-N 2.82Å; N55-K57 PolarHBondContact O-N 2.8Å; N55-K57 PolarHBondContact OD1-N 3.3Å; N55-K57 VanDerWaalsContact OD1-N 3.1Å; N55-F58 HydrophobicContact CB-CD2 4.1Å; N55-F58 PolarHBondContact O-N 2.92Å; N55-K59 PolarHBondContact O-N 3Å
56	Q	96.3	Very high	96.4	Very high	137 Å²	137	64.9 Å²	64.9	64%	0.64	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-32	-176.4	-168.6	61.9	23.3	0	0	113.3	F58	Q56-F58 PolarHBondContact O-N 2.88Å
57	K	94.1	Very high	96.5	Very high	147 Å²	147	66.1 Å²	66.1	64%	0.639	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.6	176.5	-68	-175.6	-177.9	-178.9	0	114.1	E40 N55	E40-K57 IonicContact OE2-NZ 3.04Å; E40-K57 PolarHBondContact OE2-NZ 2.82Å; N55-K57 PolarHBondContact O-N 2.8Å; N55-K57 PolarHBondContact OD1-N 3.3Å; N55-K57 VanDerWaalsContact OD1-N 3.1Å
58	F	96.1	Very high	96.4	Very high	9 Å²	9	71.7 Å²	71.7	4%	0.039	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-4.4	-171.9	-61.7	-82.3	0	0	0	113.4	K32 E40 I42 N55 Q56 D60 K61 A62	K32-F58 HydrophobicContact CD-CE1 4Å; K32-F58 HydrophobicContact CD-CZ 4.03Å; E40-F58 HydrophobicContact CB-CE2 4.5Å; E40-F58 HydrophobicContact CB-CZ 4.48Å; I42-F58 HydrophobicContact CB-CD2 4.27Å; I42-F58 HydrophobicContact CB-CG 4.27Å; I42-F58 HydrophobicContact CG1-CD1 4.23Å; I42-F58 HydrophobicContact CG1-CD2 4.18Å; I42-F58 HydrophobicContact CG1-CE1 4.2Å; I42-F58 HydrophobicContact CG1-CE2 4.14Å; I42-F58 HydrophobicContact CG1-CG 4.22Å; I42-F58 HydrophobicContact CG1-CZ 4.15Å; I42-F58 HydrophobicContact CG2-CB 3.72Å; I42-F58 HydrophobicContact CG2-CD1 4.23Å; I42-F58 HydrophobicContact CG2-CD2 4.3Å; I42-F58 HydrophobicContact CG2-CG 3.84Å; N55-F58 HydrophobicContact CB-CD2 4.1Å; N55-F58 PolarHBondContact O-N 2.92Å; Q56-F58 PolarHBondContact O-N 2.88Å; F58-D60 VanDerWaalsContact C-N 3.26Å; F58-D60 PolarHBondContact O-N 3.29Å; F58-K61 PolarHBondContact O-N 3.29Å; F58-A62 HydrophobicContact CB-CB 4.33Å; F58-A62 PolarHBondContact O-N 2.97Å
59	K	94.8	Very high	96.3	Very high	114 Å²	114	74.1 Å²	74.1	50%	0.496	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-38	-174	-171	174.2	-177.5	175.8	0	113.7	N55	N55-K59 PolarHBondContact O-N 3Å
60	D	95.1	Very high	96.3	Very high	156 Å²	156	71.4 Å²	71.4	83%	0.834	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	1.1	179.7	-56.2	-38.8	0	0	0	113.1	F58	F58-D60 VanDerWaalsContact C-N 3.26Å; F58-D60 PolarHBondContact O-N 3.29Å
61	K	96	Very high	96.2	Very high	43 Å²	43	71.3 Å²	71.3	19%	0.187	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-38.7	-173	-169.7	126.1	-178.9	169	0	112.9	F58 L77 S78 S79 D84	F58-K61 PolarHBondContact O-N 3.29Å; K61-L77 HydrophobicContact CG-CD2 4.35Å; K61-L77 WeakPolarHBondContact O-CA 3.12Å; K61-S78 WeakPolarHBondContact CE-O 3.29Å; K61-S78 PolarHBondContact O-N 3.12Å; K61-S79 PolarHBondContact NZ-O 2.8Å; K61-D84 VanDerWaalsContact CE-CG 3.43Å; K61-D84 WeakPolarHBondContact CE-OD1 3.3Å; K61-D84 WeakPolarHBondContact CE-OD2 3.38Å; K61-D84 IonicContact NZ-OD1 3.6Å; K61-D84 IonicContact NZ-OD2 2.62Å; K61-D84 PolarHBondContact NZ-OD2 2.84Å
62	A	97.8	Very high	96.2	Very high	3 Å²	3	65.7 Å²	65.7	3%	0.025	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.1	-176.9	0	0	0	0	0	111.1	I42 Y54 F58 M75 Q76 L77	I42-A62 HydrophobicContact CG2-CB 3.77Å; Y54-A62 HydrophobicContact CD1-CB 4.39Å; Y54-A62 HydrophobicContact CE1-CB 4.18Å; Y54-A62 WeakPolarHBondContact CE1-O 2.98Å; F58-A62 HydrophobicContact CB-CB 4.33Å; F58-A62 PolarHBondContact O-N 2.97Å; A62-M75 HydrophobicContact CB-CG 4.37Å; A62-M75 HydrophobicContact CB-SD 4.19Å; A62-Q76 CarbonylContact C-O 3.52Å; A62-Q76 WeakPolarHBondContact CA-O 3.35Å; A62-L77 HydrophobicContact CB-CD2 4Å
63	T	98.4	Very high	96.1	Very high	68 Å²	68	63.6 Å²	63.6	42%	0.417	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.2	168	-57.8	0	0	0	0	108.6	T65 M75 Q76	T63-T65 HydrophobicContact CG2-CG2 4.41Å; T63-M75 WeakPolarHBondContact O-CA 3.32Å; T63-Q76 PolarHBondContact N-O 2.81Å; T63-Q76 PolarHBondContact O-N 2.98Å
64	L	98.4	Very high	96.1	Very high	9 Å²	9	62.1 Å²	62.1	5%	0.047	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.2	179.3	-52.3	-175.7	0	0	0	110.5	W30 Y44 I45 T52 Y54 Y74 M75	W30-L64 VanDerWaalsContact CD1-CD2 3.47Å; W30-L64 HydrophobicContact CG-CD2 3.99Å; Y44-L64 VanDerWaalsContact C-CD1 3.49Å; Y44-L64 WeakPolarHBondContact O-CD1 3.39Å; I45-L64 HydrophobicContact CB-CB 4.11Å; I45-L64 HydrophobicContact CG2-CB 4.44Å; T52-L64 HydrophobicContact CG2-CB 3.91Å; Y54-L64 HydrophobicContact CE1-CD1 4.06Å; Y54-L64 HydrophobicContact CE1-CG 3.68Å; Y54-L64 PolarHBondContact OH-N 3.2Å; L64-Y74 WeakPolarHBondContact CA-O 3.42Å; L64-M75 HydrophobicContact CD2-CB 3.68Å; L64-M75 HydrophobicContact CD2-CG 3.6Å; L64-M75 HydrophobicContact CD2-SD 4.03Å
65	T	98.1	Very high	96.1	Very high	59 Å²	59	59.7 Å²	59.7	36%	0.362	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	160.4	176.6	56.8	0	0	0	0	110.5	T63 A73 Y74	T63-T65 HydrophobicContact CG2-CG2 4.41Å; T65-A73 CarbonylContact O-C 3.57Å; T65-A73 WeakPolarHBondContact O-CA 3.2Å; T65-Y74 PolarHBondContact N-O 2.99Å; T65-Y74 PolarHBondContact O-N 2.87Å
66	A	97.2	Very high	96.1	Very high	35 Å²	35	61 Å²	61	29%	0.289	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.8	177.6	0	0	0	0	0	110.6	F23 I45 P47	F23-A66 HydrophobicContact CE1-CB 4.11Å; F23-A66 HydrophobicContact CZ-CB 3.99Å; I45-A66 HydrophobicContact CD1-CB 3.89Å; P47-A66 HydrophobicContact CB-CB 3.95Å
67	D	95.9	Very high	96.2	Very high	55 Å²	55	54.4 Å²	54.4	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	109.9	171.3	175.2	9.1	0	0	0	109.2	S69 S70 S71 T72 Y74	D67-S69 VanDerWaalsContact C-N 3.3Å; D67-S69 PolarHBondContact O-N 3.13Å; D67-S69 WeakPolarHBondContact OD1-CB 3.48Å; D67-S69 PolarHBondContact OD1-N 3.37Å; D67-S69 PolarHBondContact OD1-OG 2.86Å; D67-S69 PolarHBondContact OD2-OG 2.87Å; D67-S70 WeakPolarHBondContact CB-OG 3.26Å; D67-S70 WeakPolarHBondContact OD2-CB 3.34Å; D67-S70 PolarHBondContact OD2-OG 3.27Å; D67-S71 WeakPolarHBondContact O-CA 2.97Å; D67-S71 PolarHBondContact O-N 3.04Å; D67-T72 PolarHBondContact N-O 2.02Å; D67-T72 PolarHBondContact O-N 3.2Å; D67-Y74 HydrophobicContact CB-CE2 4Å
68	K	93.8	Very high	96.2	Very high	119 Å²	119	49 Å²	49	52%	0.517	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-34.6	-179.7	-63	175.1	178.8	176	0	111.9	T24 P47 S48 S71	T24-K68 HydrophobicContact CG2-CD 4.32Å; T24-K68 HydrophobicContact CG2-CG 4.09Å; P47-K68 WeakPolarHBondContact O-CE 3.4Å; S48-K68 VanDerWaalsContact O-CE 3.32Å; S48-K68 WeakPolarHBondContact O-CE 3.5Å; S48-K68 PolarHBondContact O-NZ 2.89Å; K68-S71 PolarHBondContact O-N 2.93Å
69	S	92.6	Very high	96.2	Very high	107 Å²	107	52.4 Å²	52.4	75%	0.748	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-38.5	-174.9	71.9	0	0	0	0	111.9	D67	D67-S69 VanDerWaalsContact C-N 3.3Å; D67-S69 PolarHBondContact O-N 3.13Å; D67-S69 WeakPolarHBondContact OD1-CB 3.48Å; D67-S69 PolarHBondContact OD1-N 3.37Å; D67-S69 PolarHBondContact OD1-OG 2.86Å; D67-S69 PolarHBondContact OD2-OG 2.87Å
70	S	94.4	Very high	96.2	Very high	38 Å²	38	47 Å²	47	27%	0.266	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	0.2	177.1	63	0	0	0	0	113.6	D67 T72	D67-S70 WeakPolarHBondContact CB-OG 3.26Å; D67-S70 WeakPolarHBondContact OD2-CB 3.34Å; D67-S70 PolarHBondContact OD2-OG 3.27Å; S70-T72 PolarHBondContact O-N 3.23Å; S70-T72 PolarHBondContact O-OG1 2.88Å; S70-T72 WeakPolarHBondContact OG-CB 3.4Å; S70-T72 PolarHBondContact OG-OG1 2.8Å
71	S	94.3	Very high	96.2	Very high	42 Å²	42	42.3 Å²	42.3	29%	0.294	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	42.8	-173.8	-62.8	0	0	0	0	112.5	A18 D67 K68	A18-S71 PolarHBondContact N-O 3.04Å; D67-S71 WeakPolarHBondContact O-CA 2.97Å; D67-S71 PolarHBondContact O-N 3.04Å; K68-S71 PolarHBondContact O-N 2.93Å
72	T	95.8	Very high	96.1	Very high	11 Å²	11	44.1 Å²	44.1	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.2	-172.7	-56.9	0	0	0	0	110.5	C16 D67 S70 Y74	C16-T72 CarbonylContact O-C 3.58Å; C16-T72 WeakPolarHBondContact O-CA 2.98Å; D67-T72 PolarHBondContact N-O 2.02Å; D67-T72 PolarHBondContact O-N 3.2Å; S70-T72 PolarHBondContact O-N 3.23Å; S70-T72 PolarHBondContact O-OG1 2.88Å; S70-T72 WeakPolarHBondContact OG-CB 3.4Å; S70-T72 PolarHBondContact OG-OG1 2.8Å; T72-Y74 HydrophobicContact CG2-CD1 4.35Å; T72-Y74 HydrophobicContact CG2-CD2 4.42Å; T72-Y74 HydrophobicContact CG2-CE1 3.73Å; T72-Y74 HydrophobicContact CG2-CE2 3.79Å; T72-Y74 WeakPolarHBondContact CG2-OH 3.5Å; T72-Y74 WeakPolarHBondContact O-CE2 3.37Å
73	A	96.5	Very high	95.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	153	168.6	0	0	0	0	0	110.4	S15 C16 F23 M28 W30 T65	S15-A73 CarbonylContact C-O 3.49Å; S15-A73 WeakPolarHBondContact CA-O 3.27Å; C16-A73 PolarHBondContact N-O 3.08Å; C16-A73 PolarHBondContact O-N 3.02Å; F23-A73 HydrophobicContact CE2-CB 4.17Å; F23-A73 HydrophobicContact CZ-CB 3.98Å; M28-A73 HydrophobicContact CB-CB 3.98Å; M28-A73 HydrophobicContact CE-CB 4.4Å; M28-A73 HydrophobicContact CG-CB 3.55Å; W30-A73 HydrophobicContact CZ2-CB 4.4Å; T65-A73 CarbonylContact O-C 3.57Å; T65-A73 WeakPolarHBondContact O-CA 3.2Å
74	Y	97.5	Very high	95.6	Very high	53 Å²	53	47.4 Å²	47.4	21%	0.208	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.7	177.9	-52.6	-93.8	0	0	0	110.7	M14 S15 L64 T65 D67 T72	M14-Y74 WeakPolarHBondContact O-CA 3.42Å; M14-Y74 WeakPolarHBondContact O-CB 3.39Å; S15-Y74 VanDerWaalsContact CB-CE1 3.49Å; L64-Y74 WeakPolarHBondContact CA-O 3.42Å; T65-Y74 PolarHBondContact N-O 2.99Å; T65-Y74 PolarHBondContact O-N 2.87Å; D67-Y74 HydrophobicContact CB-CE2 4Å; T72-Y74 HydrophobicContact CG2-CD1 4.35Å; T72-Y74 HydrophobicContact CG2-CD2 4.42Å; T72-Y74 HydrophobicContact CG2-CE1 3.73Å; T72-Y74 HydrophobicContact CG2-CE2 3.79Å; T72-Y74 WeakPolarHBondContact CG2-OH 3.5Å; T72-Y74 WeakPolarHBondContact O-CE2 3.37Å
75	M	97.9	Very high	95.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.4	163.9	178	173.5	73.8	0	0	108.6	K13 M14 W30 I42 A62 T63 L64 L77 Y88	K13-M75 WeakPolarHBondContact CA-O 3.27Å; M14-M75 HydrophobicContact CE-CE 3.52Å; M14-M75 HydrophobicContact CG-CB 3.9Å; M14-M75 HydrophobicContact CG-CE 4.18Å; M14-M75 WeakPolarHBondContact CG-O 3.14Å; M14-M75 PolarHBondContact N-O 3.05Å; M14-M75 PolarHBondContact O-N 3.22Å; M14-M75 HydrophobicContact SD-CB 4.4Å; M14-M75 HydrophobicContact SD-CE 3.21Å; M14-M75 WeakPolarHBondContact SD-CE 3.44Å; W30-M75 HydrophobicContact CB-SD 3.9Å; W30-M75 HydrophobicContact CD2-CB 3.59Å; W30-M75 HydrophobicContact CD2-CE 4.47Å; W30-M75 HydrophobicContact CD2-CG 4.47Å; W30-M75 HydrophobicContact CD2-SD 4.21Å; W30-M75 HydrophobicContact CE3-CB 3.85Å; W30-M75 HydrophobicContact CE3-CE 3.99Å; W30-M75 HydrophobicContact CE3-SD 4.33Å; W30-M75 HydrophobicContact CG-CB 4.09Å; W30-M75 HydrophobicContact CG-SD 4.05Å; W30-M75 HydrophobicContact CH2-CB 4.13Å; W30-M75 HydrophobicContact CZ2-CB 3.91Å; W30-M75 HydrophobicContact CZ3-CB 4.11Å; I42-M75 HydrophobicContact CD1-CE 3.71Å; I42-M75 HydrophobicContact CD1-SD 3.65Å; I42-M75 HydrophobicContact CG2-SD 3.88Å; A62-M75 HydrophobicContact CB-CG 4.37Å; A62-M75 HydrophobicContact CB-SD 4.19Å; T63-M75 WeakPolarHBondContact O-CA 3.32Å; L64-M75 HydrophobicContact CD2-CB 3.68Å; L64-M75 HydrophobicContact CD2-CG 3.6Å; L64-M75 HydrophobicContact CD2-SD 4.03Å; M75-L77 HydrophobicContact CE-CD1 3.92Å; M75-L77 HydrophobicContact CE-CD2 4.08Å; M75-L77 HydrophobicContact CE-CG 3.9Å; M75-L77 HydrophobicContact CG-CG 4.46Å; M75-L77 HydrophobicContact SD-CD2 4.1Å; M75-L77 HydrophobicContact SD-CG 4.4Å; M75-Y88 HydrophobicContact CE-CD1 3.53Å; M75-Y88 HydrophobicContact CE-CE1 4.05Å; M75-Y88 HydrophobicContact CE-CG 4.21Å
76	Q	97.8	Very high	95.4	Very high	75 Å²	75	46.1 Å²	46.1	35%	0.35	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.3	166.8	-179	174.5	-24.1	0	0	109.2	V12 K13 A62 T63	V12-Q76 CarbonylContact O-C 3.52Å; V12-Q76 VanDerWaalsContact O-CA 3.29Å; V12-Q76 WeakPolarHBondContact O-CA 3.29Å; K13-Q76 HydrophobicContact CB-CB 4.48Å; A62-Q76 CarbonylContact C-O 3.52Å; A62-Q76 WeakPolarHBondContact CA-O 3.35Å; T63-Q76 PolarHBondContact N-O 2.81Å; T63-Q76 PolarHBondContact O-N 2.98Å
77	L	96.9	Very high	95.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.2	169	-65.6	169.1	0	0	0	108.7	S11 V12 M14 K61 A62 M75 L80 Y88	S11-L77 CarbonylContact C-O 3.47Å; S11-L77 WeakPolarHBondContact CA-O 3.46Å; S11-L77 WeakPolarHBondContact CB-O 3.48Å; V12-L77 HydrophobicContact CG1-CB 4.14Å; V12-L77 HydrophobicContact CG1-CD1 4.4Å; V12-L77 PolarHBondContact N-O 2.86Å; V12-L77 PolarHBondContact O-N 2.91Å; M14-L77 HydrophobicContact CE-CD1 3.78Å; M14-L77 HydrophobicContact CE-CG 4.37Å; K61-L77 HydrophobicContact CG-CD2 4.35Å; K61-L77 WeakPolarHBondContact O-CA 3.12Å; A62-L77 HydrophobicContact CB-CD2 4Å; M75-L77 HydrophobicContact CE-CD1 3.92Å; M75-L77 HydrophobicContact CE-CD2 4.08Å; M75-L77 HydrophobicContact CE-CG 3.9Å; M75-L77 HydrophobicContact CG-CG 4.46Å; M75-L77 HydrophobicContact SD-CD2 4.1Å; M75-L77 HydrophobicContact SD-CG 4.4Å; L77-L80 HydrophobicContact CB-CD2 3.83Å; L77-L80 HydrophobicContact CD1-CD2 4.33Å; L77-Y88 HydrophobicContact CD1-CD1 4.15Å; L77-Y88 HydrophobicContact CD1-CE1 3.49Å; L77-Y88 VanDerWaalsContact CD1-CE1 3.49Å; L77-Y88 HydrophobicContact CD1-CE2 4.06Å; L77-Y88 VanDerWaalsContact CD1-CZ 3.43Å
78	S	96.1	Very high	95.5	Very high	32 Å²	32	43.5 Å²	43.5	22%	0.224	25%	0.254	C	S	.	.			trans	-110.5	156.8	-179.5	-53.9	0	0	0	0	111.4	K61 L80	K61-S78 WeakPolarHBondContact CE-O 3.29Å; K61-S78 PolarHBondContact O-N 3.12Å; S78-L80 PolarHBondContact O-N 2.86Å
79	S	95.3	Very high	95.6	Very high	81 Å²	81	40.1 Å²	40.1	57%	0.566	24%	0.238	S	C	*	.	S	Bend	trans	51.4	54.6	174.9	-56.7	0	0	0	0	112.3	A10 K61	A10-S79 PolarHBondContact O-N 2.85Å; K61-S79 PolarHBondContact NZ-O 2.8Å
80	L	95.4	Very high	95.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.206	C	C	.	.			trans	-60.6	140.2	-175.7	-71.9	173.3	0	0	0	112.1	A6 P8 G9 A10 V12 L77 S78 D84 V109	A6-L80 HydrophobicContact CB-CD1 3.51Å; P8-L80 CarbonylContact C-O 3.54Å; P8-L80 WeakPolarHBondContact CA-O 3.34Å; G9-L80 PolarHBondContact N-O 3.28Å; A10-L80 WeakPolarHBondContact O-CB 3.18Å; A10-L80 WeakPolarHBondContact O-CG 3.42Å; A10-L80 PolarHBondContact O-N 3.05Å; V12-L80 HydrophobicContact CB-CD1 3.96Å; V12-L80 HydrophobicContact CG1-CD1 3.85Å; V12-L80 HydrophobicContact CG1-CD2 4.39Å; L77-L80 HydrophobicContact CB-CD2 3.83Å; L77-L80 HydrophobicContact CD1-CD2 4.33Å; S78-L80 PolarHBondContact O-N 2.86Å; L80-D84 WeakPolarHBondContact CA-OD2 3.36Å; L80-D84 HydrophobicContact CD2-CB 3.68Å; L80-V109 HydrophobicContact CB-CG1 4.29Å; L80-V109 HydrophobicContact CB-CG2 3.99Å; L80-V109 HydrophobicContact CD1-CG2 4.27Å; L80-V109 HydrophobicContact CD2-CG2 4.49Å; L80-V109 HydrophobicContact CG-CG2 4.49Å
81	T	94.7	Very high	95.6	Very high	57 Å²	57	33.9 Å²	33.9	35%	0.35	19%	0.194	S	C	.	.			trans	-123.6	169.1	172.6	65.7	0	0	0	0	109.5	E83 D84 V109	T81-E83 PolarHBondContact O-N 2.91Å; T81-E83 VanDerWaalsContact O-N 3.13Å; T81-D84 PolarHBondContact N-OD2 2.93Å; T81-D84 WeakPolarHBondContact O-CB 3.32Å; T81-D84 PolarHBondContact O-N 2.91Å; T81-D84 PolarHBondContact OG1-OD2 3.26Å; T81-V109 WeakPolarHBondContact O-CB 2.85Å; T81-V109 WeakPolarHBondContact O-CG2 3.33Å
82	S	92.8	Very high	95.4	Very high	81 Å²	81	32.3 Å²	32.3	57%	0.566	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-55	-30.9	176.2	52.1	0	0	0	0	112.8	D84 S85	S82-D84 PolarHBondContact O-N 2.82Å; S82-S85 WeakPolarHBondContact O-CB 3.39Å; S82-S85 PolarHBondContact O-N 3.35Å; S82-S85 VanDerWaalsContact O-N 3.08Å; S82-S85 PolarHBondContact O-OG 3.44Å; S82-S85 VanDerWaalsContact O-OG 3.05Å
83	E	92.2	Very high	94.8	Very high	134 Å²	134	32.6 Å²	32.6	63%	0.626	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-66.6	-14.8	177.1	-60.3	-174.4	172.4	0	0	114.3	K32 R34 T81 S85	K32-E83 PolarHBondContact NZ-O 2.91Å; R34-E83 PolarHBondContact NE-O 3.09Å; T81-E83 PolarHBondContact O-N 2.91Å; T81-E83 VanDerWaalsContact O-N 3.13Å; E83-S85 VanDerWaalsContact C-N 3.31Å
84	D	94.9	Very high	93.7	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.032	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-84.2	-4.5	173.6	-60	-51.3	0	0	0	113.5	K32 K61 L80 T81 S82 A86 Y88 V109	K32-D84 IonicContact NZ-OD1 3.44Å; K32-D84 PolarHBondContact NZ-OD1 2.83Å; K61-D84 VanDerWaalsContact CE-CG 3.43Å; K61-D84 WeakPolarHBondContact CE-OD1 3.3Å; K61-D84 WeakPolarHBondContact CE-OD2 3.38Å; K61-D84 IonicContact NZ-OD1 3.6Å; K61-D84 IonicContact NZ-OD2 2.62Å; K61-D84 PolarHBondContact NZ-OD2 2.84Å; L80-D84 WeakPolarHBondContact CA-OD2 3.36Å; L80-D84 HydrophobicContact CD2-CB 3.68Å; T81-D84 PolarHBondContact N-OD2 2.93Å; T81-D84 WeakPolarHBondContact O-CB 3.32Å; T81-D84 PolarHBondContact O-N 2.91Å; T81-D84 PolarHBondContact OG1-OD2 3.26Å; S82-D84 PolarHBondContact O-N 2.82Å; D84-A86 PolarHBondContact O-N 2.97Å; D84-Y88 WeakPolarHBondContact O-CE2 3.49Å; D84-Y88 PolarHBondContact O-OH 2.81Å; D84-V109 HydrophobicContact CB-CG2 4.29Å
85	S	95.8	Very high	92.2	Very high	36 Å²	36	39.3 Å²	39.3	25%	0.252	23%	0.226	S	C	.	.			trans	-65.7	110.3	172.6	-56.9	0	0	0	0	110	S82 E83 V107 V109	S82-S85 WeakPolarHBondContact O-CB 3.39Å; S82-S85 PolarHBondContact O-N 3.35Å; S82-S85 VanDerWaalsContact O-N 3.08Å; S82-S85 PolarHBondContact O-OG 3.44Å; S82-S85 VanDerWaalsContact O-OG 3.05Å; E83-S85 VanDerWaalsContact C-N 3.31Å; S85-V107 VanDerWaalsContact CA-O 3.27Å; S85-V107 WeakPolarHBondContact CA-O 3.22Å; S85-V109 PolarHBondContact OG-N 2.9Å
86	A	96.5	Very high	90.5	Very high	6 Å²	6	50 Å²	50	5%	0.05	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	170.9	-171.3	0	0	0	0	0	110.8	K32 Q33 R34 D84 Y88 V107	K32-A86 HydrophobicContact CD-CB 4.23Å; K32-A86 HydrophobicContact CG-CB 3.6Å; Q33-A86 WeakPolarHBondContact O-CB 2.92Å; R34-A86 HydrophobicContact CG-CB 4.24Å; D84-A86 PolarHBondContact O-N 2.97Å; A86-Y88 HydrophobicContact CB-CD2 4.33Å; A86-Y88 HydrophobicContact CB-CE2 3.79Å; A86-V107 PolarHBondContact N-O 3.22Å; A86-V107 PolarHBondContact O-N 2.78Å
87	V	96.9	Very high	88.9	Confident	34 Å²	34	52.2 Å²	52.2	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.2	161.9	-170.5	0	0	0	0	108.5	Q33 Y89	Q33-V87 PolarHBondContact N-O 3.44Å; Q33-V87 PolarHBondContact O-N 2.84Å; V87-Y89 HydrophobicContact CB-CE2 3.87Å; V87-Y89 HydrophobicContact CG1-CD1 4.43Å; V87-Y89 HydrophobicContact CG1-CD2 4.33Å; V87-Y89 HydrophobicContact CG1-CE1 3.76Å; V87-Y89 HydrophobicContact CG1-CE2 3.66Å; V87-Y89 WeakPolarHBondContact CG1-OH 3.39Å
88	Y	97.1	Very high	87.5	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.4	178.6	-69	-91.7	0	0	0	110.1	M14 V31 K32 I42 M75 L77 D84 A86 G104 T105 V107	M14-Y88 HydrophobicContact CE-CD1 4.3Å; M14-Y88 HydrophobicContact CE-CD2 4.12Å; M14-Y88 HydrophobicContact CE-CG 3.87Å; M14-Y88 VanDerWaalsContact SD-CB 3.51Å; M14-Y88 HydrophobicContact SD-CD1 4.43Å; M14-Y88 HydrophobicContact SD-CG 4.01Å; V31-Y88 CarbonylContact O-C 3.56Å; V31-Y88 WeakPolarHBondContact O-CA 3.48Å; K32-Y88 HydrophobicContact CB-CD1 4.1Å; K32-Y88 HydrophobicContact CB-CE1 3.85Å; K32-Y88 HydrophobicContact CD-CE1 3.92Å; K32-Y88 WeakPolarHBondContact CE-OH 3.45Å; K32-Y88 HydrophobicContact CG-CD1 4.27Å; K32-Y88 HydrophobicContact CG-CE1 3.72Å; I42-Y88 HydrophobicContact CD1-CD1 3.72Å; I42-Y88 HydrophobicContact CD1-CE1 3.81Å; M75-Y88 HydrophobicContact CE-CD1 3.53Å; M75-Y88 HydrophobicContact CE-CE1 4.05Å; M75-Y88 HydrophobicContact CE-CG 4.21Å; L77-Y88 HydrophobicContact CD1-CD1 4.15Å; L77-Y88 HydrophobicContact CD1-CE1 3.49Å; L77-Y88 VanDerWaalsContact CD1-CE1 3.49Å; L77-Y88 HydrophobicContact CD1-CE2 4.06Å; L77-Y88 VanDerWaalsContact CD1-CZ 3.43Å; D84-Y88 WeakPolarHBondContact O-CE2 3.49Å; D84-Y88 PolarHBondContact O-OH 2.81Å; A86-Y88 HydrophobicContact CB-CD2 4.33Å; A86-Y88 HydrophobicContact CB-CE2 3.79Å; Y88-G104 CarbonylContact O-C 3.51Å; Y88-G104 VanDerWaalsContact O-CA 3.25Å; Y88-G104 WeakPolarHBondContact O-CA 3.35Å; Y88-T105 PolarHBondContact N-O 3.35Å; Y88-T105 PolarHBondContact O-N 3.28Å; Y88-V107 HydrophobicContact CD2-CB 4.02Å; Y88-V107 HydrophobicContact CD2-CG2 3.68Å; Y88-V107 HydrophobicContact CE2-CB 3.83Å; Y88-V107 HydrophobicContact CE2-CG2 3.9Å
89	Y	95.9	Very high	86.3	Confident	48 Å²	48	59.8 Å²	59.8	19%	0.188	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149.9	-179.8	-56	-86.4	0	0	0	110.3	W30 V31 Q33 V87 W101	W30-Y89 WeakPolarHBondContact CA-O 3.48Å; V31-Y89 PolarHBondContact N-O 2.9Å; V31-Y89 PolarHBondContact O-N 3.37Å; Q33-Y89 HydrophobicContact CB-CD2 4.34Å; Q33-Y89 HydrophobicContact CB-CE2 3.71Å; Q33-Y89 VanDerWaalsContact OE1-CE2 3.29Å; Q33-Y89 PolarHBondContact OE1-OH 2.79Å; V87-Y89 HydrophobicContact CB-CE2 3.87Å; V87-Y89 HydrophobicContact CG1-CD1 4.43Å; V87-Y89 HydrophobicContact CG1-CD2 4.33Å; V87-Y89 HydrophobicContact CG1-CE1 3.76Å; V87-Y89 HydrophobicContact CG1-CE2 3.66Å; V87-Y89 WeakPolarHBondContact CG1-OH 3.39Å; Y89-W101 HydrophobicContact CG-CE3 4.29Å; Y89-W101 HydrophobicContact CG-CZ3 4.44Å
90	C	94.8	Very high	85.6	Confident	12 Å²	12	58.1 Å²	58.1	8%	0.081	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	150	160	58.7	0	0	0	0	109.5	C16 M28 H29 W30 G102	C16-C90 HydrophobicContact CB-CB 3.42Å; C16-C90 VanDerWaalsContact CB-CB 3.42Å; C16-C90 WeakPolarHBondContact CB-SG 3.45Å; C16-C90 WeakPolarHBondContact SG-CB 2.9Å; C16-C90 CovalentContact SG-SG 2.02Å; C16-C90 PolarHBondContact SG-SG 3.34Å; M28-C90 HydrophobicContact CG-CB 4.47Å; M28-C90 HydrophobicContact SD-CB 3.72Å; H29-C90 CarbonylContact O-C 3.57Å; H29-C90 WeakPolarHBondContact O-CA 3.5Å; W30-C90 HydrophobicContact CD2-CB 4.4Å; W30-C90 HydrophobicContact CE3-CB 4.21Å; W30-C90 HydrophobicContact CH2-CB 4.27Å; W30-C90 HydrophobicContact CZ2-CB 4.44Å; W30-C90 HydrophobicContact CZ3-CB 4.13Å; C90-G102 PolarHBondContact O-N 2.85Å
91	A	92.9	Very high	85.3	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.1	173.9	0	0	0	0	0	110.7	H29 F98 V100 W101	H29-A91 PolarHBondContact N-O 3.06Å; H29-A91 PolarHBondContact O-N 2.87Å; A91-F98 HydrophobicContact CB-CB 4.48Å; A91-F98 HydrophobicContact CB-CD1 3.64Å; A91-F98 HydrophobicContact CB-CE1 4.3Å; A91-F98 HydrophobicContact CB-CG 4.36Å; A91-V100 CarbonylContact C-O 3.6Å; A91-V100 WeakPolarHBondContact CA-O 3.38Å; A91-W101 HydrophobicContact CB-CD2 3.75Å; A91-W101 HydrophobicContact CB-CE3 4.01Å; A91-W101 HydrophobicContact CB-CG 4.17Å; A91-W101 HydrophobicContact CB-CH2 4.33Å; A91-W101 HydrophobicContact CB-CZ2 4.08Å; A91-W101 HydrophobicContact CB-CZ3 4.3Å
92	E	89.1	Confident	85.1	Confident	10 Å²	10	61.7 Å²	61.7	5%	0.047	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.5	177.6	-58.3	178.3	-175.1	0	0	109.5	A18 Y26 M28 D99 V100	A18-E92 VanDerWaalsContact CA-OE1 3.26Å; A18-E92 WeakPolarHBondContact CA-OE1 3.44Å; A18-E92 WeakPolarHBondContact CB-OE1 3.28Å; Y26-E92 HydrophobicContact CD1-CB 4.05Å; M28-E92 HydrophobicContact CE-CG 3.66Å; M28-E92 HydrophobicContact SD-CG 4.12Å; E92-D99 PolarHBondContact O-N 3.05Å; E92-V100 HydrophobicContact CB-CB 4.22Å; E92-V100 HydrophobicContact CG-CB 4.45Å; E92-V100 PolarHBondContact N-O 3.47Å
93	D	83.2	Confident	85	Confident	17 Å²	17	63 Å²	63	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.5	175.9	179.8	4.2	0	0	0	111.3	Y26 W27 H29 G95 W96 H97 F98	Y26-D93 VanDerWaalsContact CA-O 3.32Å; Y26-D93 WeakPolarHBondContact CA-O 3.36Å; W27-D93 PolarHBondContact N-O 3.27Å; W27-D93 PolarHBondContact O-N 3.48Å; H29-D93 IonicContact NE2-OD2 3.81Å; D93-G95 PolarHBondContact OD1-N 2.94Å; D93-W96 WeakPolarHBondContact OD1-CA 3.32Å; D93-W96 PolarHBondContact OD1-N 3.08Å; D93-H97 WeakPolarHBondContact CA-O 3.47Å; D93-H97 PolarHBondContact OD1-N 3.03Å; D93-F98 HydrophobicContact CB-CD1 4.35Å; D93-F98 HydrophobicContact CB-CE1 4.33Å
94	Y	73.9	Confident	85.1	Confident	140 Å²	140	57.4 Å²	57.4	55%	0.549	31%	0.306	S	S	.	.	S	Bend	trans	-121.3	96.7	167.2	-173.8	-98.6	0	0	0	111.4	Y26	Y26-Y94 HydrophobicContact CD1-CG 4.49Å; Y26-Y94 HydrophobicContact CD2-CD2 4.21Å; Y26-Y94 HydrophobicContact CE1-CD2 4.2Å; Y26-Y94 AromaticContact CE1-CG 3.98Å; Y26-Y94 HydrophobicContact CE1-CG 3.98Å; Y26-Y94 AromaticContact CE2-CD2 3.77Å; Y26-Y94 HydrophobicContact CE2-CD2 3.77Å; Y26-Y94 HydrophobicContact CE2-CE2 4.45Å; Y26-Y94 HydrophobicContact CE2-CG 4.33Å; Y26-Y94 HydrophobicContact CG-CD2 4.5Å; Y26-Y94 AromaticContact CZ-CD2 3.74Å; Y26-Y94 AromaticContact CZ-CG 3.82Å
95	G	65.3	Low	85.1	Confident	54 Å²	54	57.5 Å²	57.5	56%	0.557	31%	0.307	S	S	*	.	S	Bend	trans	67.6	49.7	174.1	0	0	0	0	0	112.9	D93	D93-G95 PolarHBondContact OD1-N 2.94Å
96	W	63	Low	85.1	Confident	223 Å²	223	58.8 Å²	58.8	85%	0.845	31%	0.313	S	S	*	.	S	Bend	trans	91.9	13.3	164.1	-44	99.7	0	0	0	116.7	D93	D93-W96 WeakPolarHBondContact OD1-CA 3.32Å; D93-W96 PolarHBondContact OD1-N 3.08Å
97	H	63.4	Low	85	Confident	122 Å²	122	58.5 Å²	58.5	57%	0.565	31%	0.311	S	S	*	.			trans	-131.1	131	178.5	-65.9	75.5	0	0	0	111.5	D93 D99	D93-H97 WeakPolarHBondContact CA-O 3.47Å; D93-H97 PolarHBondContact OD1-N 3.03Å; H97-D99 VanDerWaalsContact C-N 3.25Å; H97-D99 WeakPolarHBondContact CB-OD1 3.44Å; H97-D99 PolarHBondContact O-N 3.32Å
98	F	68.8	Low	85	Confident	89 Å²	89	59.9 Å²	59.9	39%	0.39	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	75.2	172	-68.7	-64	0	0	0	110.6	H29 A91 D93 V100 W101	H29-F98 HydrophobicContact CB-CE1 3.64Å; H29-F98 HydrophobicContact CB-CZ 4.34Å; H29-F98 AromaticContact CD2-CE1 3.63Å; H29-F98 AromaticContact CE1-CE1 3.89Å; H29-F98 AromaticContact CE1-CZ 3.94Å; H29-F98 AromaticContact CG-CE1 3.34Å; H29-F98 AromaticContact CG-CZ 3.92Å; H29-F98 AromaticContact ND1-CE1 3.5Å; H29-F98 AromaticContact ND1-CZ 3.57Å; A91-F98 HydrophobicContact CB-CB 4.48Å; A91-F98 HydrophobicContact CB-CD1 3.64Å; A91-F98 HydrophobicContact CB-CE1 4.3Å; A91-F98 HydrophobicContact CB-CG 4.36Å; D93-F98 HydrophobicContact CB-CD1 4.35Å; D93-F98 HydrophobicContact CB-CE1 4.33Å; F98-V100 PolarHBondContact O-N 2.61Å; F98-W101 HydrophobicContact CB-CZ2 4.1Å; F98-W101 HydrophobicContact CD2-CZ2 4.48Å; F98-W101 HydrophobicContact CG-CZ2 4.18Å; F98-W101 PolarHBondContact O-NE1 3.26Å
99	D	69.9	Low	84.8	Confident	103 Å²	103	60.2 Å²	60.2	55%	0.551	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	-26.6	-169.9	-65	-38.9	0	0	0	112.9	E92 H97	E92-D99 PolarHBondContact O-N 3.05Å; H97-D99 VanDerWaalsContact C-N 3.25Å; H97-D99 WeakPolarHBondContact CB-OD1 3.44Å; H97-D99 PolarHBondContact O-N 3.32Å
100	V	81.5	Confident	84.3	Confident	45 Å²	45	60.6 Å²	60.6	27%	0.273	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	127.9	-175.3	-174.3	0	0	0	0	110.7	Y21 A91 E92 F98	Y21-V100 HydrophobicContact CE2-CG2 4.34Å; A91-V100 CarbonylContact C-O 3.6Å; A91-V100 WeakPolarHBondContact CA-O 3.38Å; E92-V100 HydrophobicContact CB-CB 4.22Å; E92-V100 HydrophobicContact CG-CB 4.45Å; E92-V100 PolarHBondContact N-O 3.47Å; F98-V100 PolarHBondContact O-N 2.61Å
101	W	89.9	Confident	83.1	Confident	107 Å²	107	67.9 Å²	67.9	41%	0.405	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.3	176.1	-71.4	71.2	0	0	0	111.1	V31 L39 Y89 A91 F98	V31-W101 HydrophobicContact CB-CH2 4.32Å; V31-W101 HydrophobicContact CB-CZ3 4.02Å; V31-W101 HydrophobicContact CG1-CH2 4.35Å; V31-W101 HydrophobicContact CG1-CZ3 4.27Å; V31-W101 HydrophobicContact CG2-CH2 3.86Å; V31-W101 HydrophobicContact CG2-CZ3 3.95Å; L39-W101 HydrophobicContact CD1-CH2 3.94Å; L39-W101 HydrophobicContact CD1-CZ3 4.42Å; Y89-W101 HydrophobicContact CG-CE3 4.29Å; Y89-W101 HydrophobicContact CG-CZ3 4.44Å; A91-W101 HydrophobicContact CB-CD2 3.75Å; A91-W101 HydrophobicContact CB-CE3 4.01Å; A91-W101 HydrophobicContact CB-CG 4.17Å; A91-W101 HydrophobicContact CB-CH2 4.33Å; A91-W101 HydrophobicContact CB-CZ2 4.08Å; A91-W101 HydrophobicContact CB-CZ3 4.3Å; F98-W101 HydrophobicContact CB-CZ2 4.1Å; F98-W101 HydrophobicContact CD2-CZ2 4.48Å; F98-W101 HydrophobicContact CG-CZ2 4.18Å; F98-W101 PolarHBondContact O-NE1 3.26Å
102	G	90	Very high	82.7	Confident	26 Å²	26	71.3 Å²	71.3	27%	0.268	40%	0.402	S	S	.	.			trans	-69.9	158.9	168.7	0	0	0	0	0	111.9	C90 G104	C90-G102 PolarHBondContact O-N 2.85Å; G102-G104 PolarHBondContact O-N 3Å
103	A	90.9	Very high	82.3	Confident	108 Å²	108	74.5 Å²	74.5	89%	0.893	42%	0.42	S	S	*	.			trans	-64	-10.2	-178.8	0	0	0	0	0	115
104	G	92.9	Very high	82.3	Confident	17 Å²	17	77.7 Å²	77.7	18%	0.175	44%	0.439	C	S	.	.			trans	87.7	154.6	-176.4	0	0	0	0	0	113.5	Y88 G102	Y88-G104 CarbonylContact O-C 3.51Å; Y88-G104 VanDerWaalsContact O-CA 3.25Å; Y88-G104 WeakPolarHBondContact O-CA 3.35Å; G102-G104 PolarHBondContact O-N 3Å
105	T	95.2	Very high	82.8	Confident	9 Å²	9	74 Å²	74	6%	0.055	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.6	173	-58.1	0	0	0	0	108.2	S1 G2 E4 Y88 V107	S1-T105 WeakPolarHBondContact CB-OG1 3.46Å; G2-T105 WeakPolarHBondContact O-CG2 3.36Å; E4-T105 HydrophobicContact CG-CG2 4.28Å; Y88-T105 PolarHBondContact N-O 3.35Å; Y88-T105 PolarHBondContact O-N 3.28Å; T105-V107 PolarHBondContact O-N 2.9Å
106	T	96.1	Very high	83.9	Confident	62 Å²	62	75.3 Å²	75.3	38%	0.38	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118.7	176.8	-56.8	0	0	0	0	109.2	A3 E4	A3-T106 CarbonylContact C-O 3.53Å; A3-T106 WeakPolarHBondContact CA-O 3.44Å; E4-T106 PolarHBondContact N-O 3.22Å
107	V	95.3	Very high	85.3	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.006	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.8	170.7	178.5	0	0	0	0	108	E4 V12 M14 S85 A86 Y88 T105 V109	E4-V107 HydrophobicContact CB-CG2 4.47Å; E4-V107 WeakPolarHBondContact O-CA 3.38Å; V12-V107 HydrophobicContact CG1-CG1 4.38Å; V12-V107 HydrophobicContact CG1-CG2 4.32Å; M14-V107 HydrophobicContact CE-CG2 4.04Å; S85-V107 VanDerWaalsContact CA-O 3.27Å; S85-V107 WeakPolarHBondContact CA-O 3.22Å; A86-V107 PolarHBondContact N-O 3.22Å; A86-V107 PolarHBondContact O-N 2.78Å; Y88-V107 HydrophobicContact CD2-CB 4.02Å; Y88-V107 HydrophobicContact CD2-CG2 3.68Å; Y88-V107 HydrophobicContact CE2-CB 3.83Å; Y88-V107 HydrophobicContact CE2-CG2 3.9Å; T105-V107 PolarHBondContact O-N 2.9Å; V107-V109 HydrophobicContact CG1-CG2 4.21Å
108	T	95.1	Very high	86.8	Confident	63 Å²	63	61.4 Å²	61.4	39%	0.387	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.4	174.3	-57.3	0	0	0	0	109.2	E4 L5 A6	E4-T108 PolarHBondContact O-N 3.43Å; L5-T108 HydrophobicContact CD1-CG2 4.1Å; A6-T108 PolarHBondContact N-O 2.66Å
109	V	93	Very high	88.2	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.042	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	104.1	177.8	-171.1	0	0	0	0	108.5	A6 P8 L80 T81 D84 S85 V107	A6-V109 HydrophobicContact CB-CG2 4.43Å; A6-V109 WeakPolarHBondContact O-CA 3.45Å; P8-V109 HydrophobicContact CB-CG1 4.49Å; P8-V109 HydrophobicContact CG-CG1 4.21Å; L80-V109 HydrophobicContact CB-CG1 4.29Å; L80-V109 HydrophobicContact CB-CG2 3.99Å; L80-V109 HydrophobicContact CD1-CG2 4.27Å; L80-V109 HydrophobicContact CD2-CG2 4.49Å; L80-V109 HydrophobicContact CG-CG2 4.49Å; T81-V109 WeakPolarHBondContact O-CB 2.85Å; T81-V109 WeakPolarHBondContact O-CG2 3.33Å; D84-V109 HydrophobicContact CB-CG2 4.29Å; S85-V109 PolarHBondContact OG-N 2.9Å; V107-V109 HydrophobicContact CG1-CG2 4.21Å
110	S	86.6	Confident	89.7	Confident	57 Å²	57	55.6 Å²	55.6	40%	0.399	37%	0.37	S	S	.	.			trans	-84.5	133.6	179.4	57.2	0	0	0	0	110.8	A6 P8	A6-S110 PolarHBondContact O-N 2.74Å; P8-S110 WeakPolarHBondContact CD-O 3.32Å; P8-S110 VanDerWaalsContact CG-O 3.27Å; P8-S110 WeakPolarHBondContact CG-O 3.4Å
111	S	70.3	Confident	90.5	Very high	165 Å²	165	56.5 Å²	56.5	100%	1.154	38%	0.379	S	S	*	.			trans	-63.6	0	173.2	56.9	0	0	0	0	113.3

Retrieved 111 of 111 residues in 26.6 ms (Link to these results)

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