X5J4G6_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4G6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J4G6_MOUSE|X5J4G6
PSLAKPSQTLSLTCSVSGDSITSGYWNWIRQFPGNKLEWMGYINYSGSTSNNPSLKSRISITRDTSKNQFFLQLNSVTPEDTGTYYCARAVDPLTTGAKAPLSQSPQ
					

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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	P	39.8	Very low	63.9	Low	182 Å²	182	117 Å²	117	100%	1.182	70%	0.696	S	S	*	*				0	98.9	0	16.3	7.3	0	0	0	111.1	L3	P1-L3 PolarHBondContact O-N 3.15Å
2	S	36.4	Very low	66.4	Low	131 Å²	131	109.7 Å²	109.7	92%	0.916	65%	0.651	S	S	*	*			trans	-83.9	88.2	176.6	33.5	0	0	0	0	110.7
3	L	52.3	Low	68.5	Low	171 Å²	171	105.2 Å²	105.2	90%	0.895	63%	0.625	S	S	*	*			trans	-75.5	147.7	167.7	-169.7	65.6	0	0	0	109.7	P1	P1-L3 PolarHBondContact O-N 3.15Å
4	A	46.9	Very low	70.1	Confident	85 Å²	85	97.9 Å²	97.9	70%	0.702	58%	0.582	S	S	*	*			trans	68	94.9	-179.3	0	0	0	0	0	116.8
5	K	49.7	Very low	71.5	Confident	197 Å²	197	95.6 Å²	95.6	86%	0.857	57%	0.573	S	S	*	*			trans	-82.3	120.6	132.1	-87.6	-173.3	174.7	-178.6	0	106.8
6	P	52.5	Low	72.4	Confident	108 Å²	108	90.8 Å²	90.8	70%	0.701	54%	0.544	S	S	*	.			trans	-65.9	143.8	176.1	27.3	-33.4	0	0	0	110.5	Q8	P6-Q8 PolarHBondContact O-N 3.09Å; P6-Q8 VanDerWaalsContact O-N 3.13Å
7	S	66.8	Low	73.1	Confident	65 Å²	65	91.9 Å²	91.9	46%	0.455	56%	0.557	S	S	.	*			trans	9.3	92.9	146	179	0	0	0	0	114.3	S76	S7-S76 WeakPolarHBondContact OG-CA 3.23Å; S7-S76 WeakPolarHBondContact OG-CB 3.47Å; S7-S76 PolarHBondContact OG-N 3.47Å; S7-S76 PolarHBondContact OG-OG 3.17Å
8	Q	84.4	Confident	73.6	Confident	142 Å²	142	92.2 Å²	92.2	66%	0.664	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.6	143.2	170.2	-75.2	-175.4	-63.9	0	0	109.4	P6 S76 V77	P6-Q8 PolarHBondContact O-N 3.09Å; P6-Q8 VanDerWaalsContact O-N 3.13Å; Q8-S76 PolarHBondContact O-N 3.11Å; Q8-V77 HydrophobicContact CB-CB 4.45Å; Q8-V77 WeakPolarHBondContact O-CB 3.17Å; Q8-V77 VanDerWaalsContact O-CG2 3.28Å; Q8-V77 WeakPolarHBondContact O-CG2 3.44Å; Q8-V77 PolarHBondContact O-N 2.82Å
9	T	90	Very high	73.9	Confident	69 Å²	69	90.1 Å²	90.1	42%	0.423	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.4	125.2	170.2	-64.2	0	0	0	0	109	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.37Å; T9-L74 CarbonylContact C-O 3.42Å; T9-L74 WeakPolarHBondContact CA-O 3.5Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.49Å; T9-N75 PolarHBondContact OG1-OD1 3.43Å
10	L	90.5	Very high	74.4	Confident	54 Å²	54	87.7 Å²	87.7	28%	0.283	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.3	125.5	170.1	174.8	62.9	0	0	0	108.8	L12 Q73 L74 V77 Y85	L10-L12 HydrophobicContact CD1-CD2 4.11Å; L10-L12 HydrophobicContact CD1-CG 4.25Å; L10-L12 HydrophobicContact CD2-CD1 4Å; L10-L12 HydrophobicContact CD2-CG 4.26Å; L10-L12 HydrophobicContact CG-CD1 4.26Å; L10-L12 HydrophobicContact CG-CD2 4.37Å; L10-L12 HydrophobicContact CG-CG 4Å; L10-Q73 CarbonylContact O-C 3.58Å; L10-Q73 WeakPolarHBondContact O-CA 3.37Å; L10-L74 HydrophobicContact CB-CB 4.41Å; L10-L74 PolarHBondContact N-O 3.39Å; L10-L74 PolarHBondContact O-N 2.88Å; L10-V77 HydrophobicContact CB-CG2 3.76Å; L10-Y85 HydrophobicContact CD2-CD2 4.36Å; L10-Y85 HydrophobicContact CD2-CE1 4.46Å; L10-Y85 HydrophobicContact CD2-CE2 3.83Å
11	S	93.8	Very high	75	Confident	83 Å²	83	83.5 Å²	83.5	58%	0.58	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.8	173.3	-64.1	0	0	0	0	109.2	L72	S11-L72 WeakPolarHBondContact CA-O 3.38Å
12	L	93.3	Very high	77.3	Confident	29 Å²	29	77.9 Å²	77.9	15%	0.152	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.7	-178.5	-66.3	168.7	0	0	0	110.3	L10 W28 F71 L72 Y85	L10-L12 HydrophobicContact CD1-CD2 4.11Å; L10-L12 HydrophobicContact CD1-CG 4.25Å; L10-L12 HydrophobicContact CD2-CD1 4Å; L10-L12 HydrophobicContact CD2-CG 4.26Å; L10-L12 HydrophobicContact CG-CD1 4.26Å; L10-L12 HydrophobicContact CG-CD2 4.37Å; L10-L12 HydrophobicContact CG-CG 4Å; L12-W28 HydrophobicContact CB-CH2 3.71Å; L12-W28 HydrophobicContact CB-CZ2 4.33Å; L12-W28 HydrophobicContact CB-CZ3 4.05Å; L12-W28 HydrophobicContact CD1-CZ3 4.25Å; L12-F71 VanDerWaalsContact O-CA 3.3Å; L12-F71 WeakPolarHBondContact O-CA 3.38Å; L12-L72 HydrophobicContact CB-CB 4.38Å; L12-L72 HydrophobicContact CD1-CD2 4.06Å; L12-L72 PolarHBondContact N-O 3.22Å; L12-L72 PolarHBondContact O-N 2.79Å; L12-Y85 HydrophobicContact CD1-CD1 3.54Å; L12-Y85 HydrophobicContact CD1-CD2 4Å; L12-Y85 HydrophobicContact CD1-CE1 4.23Å; L12-Y85 HydrophobicContact CD1-CG 3.41Å; L12-Y85 VanDerWaalsContact CD1-CG 3.41Å
13	T	94.6	Very high	79.5	Confident	51 Å²	51	73.7 Å²	73.7	31%	0.313	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.7	178.2	-56.1	0	0	0	0	109.7	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.37Å; T13-Q69 HydrophobicContact CG2-CG 4.1Å; T13-F71 HydrophobicContact CG2-CD1 3.94Å; T13-F71 HydrophobicContact CG2-CE1 3.52Å; T13-F71 HydrophobicContact CG2-CZ 4.27Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.13Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.4Å
14	C	90.9	Very high	81	Confident	4 Å²	4	66 Å²	66	3%	0.027	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	108.7	169.9	164.1	0	0	0	0	107.9	W28 Q69 F70 C87 L102	C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; C14-Q69 CarbonylContact O-C 3.57Å; C14-Q69 WeakPolarHBondContact O-CA 3.26Å; C14-F70 HydrophobicContact CB-CB 4.11Å; C14-F70 PolarHBondContact N-O 3.22Å; C14-F70 PolarHBondContact O-N 2.86Å; C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.42Å; C14-C87 WeakPolarHBondContact SG-CB 3.36Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.08Å; C14-L102 HydrophobicContact CB-CD2 3.52Å
15	S	91.4	Very high	82.9	Confident	63 Å²	63	66 Å²	66	44%	0.441	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.8	171.3	-60.3	0	0	0	0	109.2	Q69	S15-Q69 PolarHBondContact OG-NE2 2.65Å; S15-Q69 VanDerWaalsContact OG-NE2 3.08Å
16	V	84.9	Confident	84.8	Confident	18 Å²	18	57.1 Å²	57.1	11%	0.109	37%	0.365	C	S	.	.			trans	-89.7	136.5	178.4	179.4	0	0	0	0	109.6	D19 I21 W26 N68	V16-D19 HydrophobicContact CG1-CB 3.95Å; V16-D19 WeakPolarHBondContact CG1-O 3.36Å; V16-I21 HydrophobicContact CG2-CD1 3.79Å; V16-W26 HydrophobicContact CB-CH2 4.17Å; V16-W26 HydrophobicContact CB-CZ2 4.4Å; V16-W26 HydrophobicContact CG1-CH2 3.58Å; V16-W26 HydrophobicContact CG1-CZ2 3.69Å; V16-W26 HydrophobicContact CG2-CD2 4.48Å; V16-W26 HydrophobicContact CG2-CE3 4.17Å; V16-W26 HydrophobicContact CG2-CH2 3.43Å; V16-W26 VanDerWaalsContact CG2-CH2 3.43Å; V16-W26 HydrophobicContact CG2-CZ2 3.78Å; V16-W26 HydrophobicContact CG2-CZ3 3.65Å; V16-N68 WeakPolarHBondContact CB-ND2 3.22Å; V16-N68 PolarHBondContact N-O 2.95Å; V16-N68 PolarHBondContact O-ND2 3.21Å
17	S	85.3	Confident	86.7	Confident	111 Å²	111	53 Å²	53	78%	0.776	34%	0.336	S	S	*	.			trans	-128.8	145.4	175.9	57.8	0	0	0	0	110.5	D19	S17-D19 PolarHBondContact O-N 2.81Å
18	G	82.1	Confident	88	Confident	97 Å²	97	49.9 Å²	49.9	100%	1	32%	0.315	S	S	*	.	S	Bend	trans	71.2	2.6	-178.1	0	0	0	0	0	116.1
19	D	77.8	Confident	88.5	Confident	51 Å²	51	44.8 Å²	44.8	27%	0.273	29%	0.292	S	S	.	.	S	Bend	trans	-154.2	171.1	-175.3	-169.7	6.7	0	0	0	109.6	V16 S17 S23 N68 R89	V16-D19 HydrophobicContact CG1-CB 3.95Å; V16-D19 WeakPolarHBondContact CG1-O 3.36Å; S17-D19 PolarHBondContact O-N 2.81Å; D19-S23 WeakPolarHBondContact OD1-CB 3.43Å; D19-S23 PolarHBondContact OD1-OG 3.33Å; D19-N68 PolarHBondContact O-ND2 3.34Å; D19-R89 VanDerWaalsContact CG-NH1 3.31Å; D19-R89 IonicContact OD1-CZ 3.79Å; D19-R89 IonicContact OD1-NH1 2.67Å; D19-R89 PolarHBondContact OD1-NH1 3.1Å; D19-R89 WeakPolarHBondContact OD2-CD 3.34Å; D19-R89 IonicContact OD2-CZ 3.31Å; D19-R89 VanDerWaalsContact OD2-CZ 3.31Å; D19-R89 IonicContact OD2-NE 3.41Å; D19-R89 PolarHBondContact OD2-NE 3.17Å; D19-R89 IonicContact OD2-NH1 3.52Å; D19-R89 PolarHBondContact OD2-NH1 2.85Å
20	S	84.9	Confident	88.6	Confident	43 Å²	43	41.9 Å²	41.9	30%	0.301	27%	0.273	S	S	.	.			trans	-108.3	141	177.6	178.1	0	0	0	0	112.9	T22 S23 W26 N68	S20-T22 PolarHBondContact O-N 3.31Å; S20-T22 PolarHBondContact OG-N 3.24Å; S20-T22 VanDerWaalsContact OG-N 3.09Å; S20-T22 PolarHBondContact OG-OG1 2.67Å; S20-S23 WeakPolarHBondContact O-CB 3.08Å; S20-S23 PolarHBondContact O-N 2.95Å; S20-S23 PolarHBondContact O-OG 3.45Å; S20-W26 PolarHBondContact O-NE1 3.47Å; S20-N68 WeakPolarHBondContact CA-OD1 3.39Å
21	I	86.8	Confident	88.7	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-6.4	170.9	-159.5	66.5	0	0	0	113.8	V16 W26 R63 T65 N68 F70	V16-I21 HydrophobicContact CG2-CD1 3.79Å; I21-W26 HydrophobicContact CD1-CB 3.99Å; I21-W26 HydrophobicContact CD1-CD2 3.52Å; I21-W26 HydrophobicContact CD1-CE3 4.13Å; I21-W26 HydrophobicContact CD1-CG 3.41Å; I21-W26 VanDerWaalsContact CD1-CG 3.41Å; I21-W26 HydrophobicContact CG1-CG 4.48Å; I21-R63 HydrophobicContact CG1-CB 4.04Å; I21-R63 PolarHBondContact O-NH1 2.73Å; I21-R63 VanDerWaalsContact O-NH1 3.1Å; I21-T65 HydrophobicContact CG2-CG2 4.03Å; I21-N68 PolarHBondContact N-OD1 3.05Å; I21-F70 HydrophobicContact CD1-CB 3.59Å; I21-F70 HydrophobicContact CD1-CG 4.1Å; I21-F70 HydrophobicContact CG1-CB 4.29Å
22	T	87.4	Confident	88.6	Confident	63 Å²	63	39.2 Å²	39.2	39%	0.387	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-1.7	171.9	63.8	0	0	0	0	114.1	S20 G24 Y45 T65	S20-T22 PolarHBondContact O-N 3.31Å; S20-T22 PolarHBondContact OG-N 3.24Å; S20-T22 VanDerWaalsContact OG-N 3.09Å; S20-T22 PolarHBondContact OG-OG1 2.67Å; T22-G24 VanDerWaalsContact C-N 3.35Å; T22-G24 PolarHBondContact O-N 3.24Å; T22-Y45 WeakPolarHBondContact O-CB 3.19Å; T22-T65 HydrophobicContact CG2-CG2 3.52Å
23	S	82.8	Confident	88.4	Confident	44 Å²	44	42.9 Å²	42.9	31%	0.308	28%	0.275	S	S	.	.	S	Bend	trans	-85	4.9	-172.8	72.1	0	0	0	0	115.4	D19 S20 R89	D19-S23 WeakPolarHBondContact OD1-CB 3.43Å; D19-S23 PolarHBondContact OD1-OG 3.33Å; S20-S23 WeakPolarHBondContact O-CB 3.08Å; S20-S23 PolarHBondContact O-N 2.95Å; S20-S23 PolarHBondContact O-OG 3.45Å; S23-R89 PolarHBondContact O-NH2 2.95Å; S23-R89 PolarHBondContact OG-NE 3.05Å; S23-R89 PolarHBondContact OG-NH2 2.77Å
24	G	84.2	Confident	88.2	Confident	9 Å²	9	44 Å²	44	9%	0.093	30%	0.297	C	S	.	.	S	Bend	trans	170.7	-149.4	-178.1	0	0	0	0	0	113.6	T22 N44 Y45	T22-G24 VanDerWaalsContact C-N 3.35Å; T22-G24 PolarHBondContact O-N 3.24Å; G24-N44 CarbonylContact O-C 3.53Å; G24-Y45 PolarHBondContact O-N 2.96Å
25	Y	87.3	Confident	88	Confident	84 Å²	84	49.8 Å²	49.8	33%	0.329	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.4	177.4	-63.4	-99.4	0	0	0	110.3	Y42 I43 N44 R89 A90	Y25-Y42 HydrophobicContact CD1-CD2 4.02Å; Y25-Y42 HydrophobicContact CD1-CE2 4.04Å; Y25-Y42 HydrophobicContact CE1-CE2 4.23Å; Y25-I43 WeakPolarHBondContact CA-O 3.42Å; Y25-N44 HydrophobicContact CD1-CB 3.6Å; Y25-N44 HydrophobicContact CE1-CB 3.51Å; Y25-N44 HydrophobicContact CG-CB 4.42Å; Y25-R89 CarbonylContact O-C 3.53Å; Y25-R89 WeakPolarHBondContact O-CA 3.38Å; Y25-A90 PolarHBondContact O-N 3.26Å
26	W	90	Very high	88	Confident	11 Å²	11	53.7 Å²	53.7	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.1	177.8	-73.4	90	0	0	0	109.7	V16 S20 I21 Y42 I43 F70 R89	V16-W26 HydrophobicContact CB-CH2 4.17Å; V16-W26 HydrophobicContact CB-CZ2 4.4Å; V16-W26 HydrophobicContact CG1-CH2 3.58Å; V16-W26 HydrophobicContact CG1-CZ2 3.69Å; V16-W26 HydrophobicContact CG2-CD2 4.48Å; V16-W26 HydrophobicContact CG2-CE3 4.17Å; V16-W26 HydrophobicContact CG2-CH2 3.43Å; V16-W26 VanDerWaalsContact CG2-CH2 3.43Å; V16-W26 HydrophobicContact CG2-CZ2 3.78Å; V16-W26 HydrophobicContact CG2-CZ3 3.65Å; S20-W26 PolarHBondContact O-NE1 3.47Å; I21-W26 HydrophobicContact CD1-CB 3.99Å; I21-W26 HydrophobicContact CD1-CD2 3.52Å; I21-W26 HydrophobicContact CD1-CE3 4.13Å; I21-W26 HydrophobicContact CD1-CG 3.41Å; I21-W26 VanDerWaalsContact CD1-CG 3.41Å; I21-W26 HydrophobicContact CG1-CG 4.48Å; W26-Y42 CarbonylContact O-C 3.55Å; W26-Y42 WeakPolarHBondContact O-CA 3.33Å; W26-Y42 WeakPolarHBondContact O-CB 3.24Å; W26-I43 HydrophobicContact CB-CG2 4.14Å; W26-I43 PolarHBondContact N-O 3.49Å; W26-I43 PolarHBondContact O-N 3.19Å; W26-F70 HydrophobicContact CB-CD1 4.03Å; W26-F70 HydrophobicContact CB-CE1 3.86Å; W26-F70 HydrophobicContact CB-CE2 4.45Å; W26-F70 HydrophobicContact CB-CG 4.39Å; W26-F70 HydrophobicContact CB-CZ 4.09Å; W26-F70 WeakPolarHBondContact O-CZ 3.36Å; W26-R89 HydrophobicContact CD2-CB 4.12Å; W26-R89 HydrophobicContact CD2-CG 4.36Å; W26-R89 HydrophobicContact CE3-CB 4.1Å; W26-R89 HydrophobicContact CH2-CB 3.8Å; W26-R89 HydrophobicContact CH2-CG 4.44Å; W26-R89 HydrophobicContact CZ2-CB 3.81Å; W26-R89 HydrophobicContact CZ2-CG 3.94Å; W26-R89 HydrophobicContact CZ3-CB 3.95Å
27	N	92	Very high	88.3	Confident	21 Å²	21	56.9 Å²	56.9	11%	0.112	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.6	-169.6	-62.2	-95.2	0	0	0	110.5	I29 W39 G41 Y42 C87 A88	N27-I29 HydrophobicContact CB-CG1 4.46Å; N27-W39 PolarHBondContact OD1-NE1 3.32Å; N27-W39 VanDerWaalsContact OD1-NE1 3.13Å; N27-G41 CarbonylContact C-O 3.56Å; N27-G41 WeakPolarHBondContact CA-O 3.41Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.5Å; N27-C87 CarbonylContact O-C 3.6Å; N27-C87 VanDerWaalsContact O-CA 3.24Å; N27-C87 WeakPolarHBondContact O-CA 3.38Å; N27-A88 PolarHBondContact N-O 2.8Å; N27-A88 PolarHBondContact ND2-O 3.09Å; N27-A88 PolarHBondContact O-N 3Å
28	W	94.3	Very high	88.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.4	162.7	-79	106	0	0	0	110.1	L12 C14 M40 G41 F70 F71 L72 Y86 C87 L102	L12-W28 HydrophobicContact CB-CH2 3.71Å; L12-W28 HydrophobicContact CB-CZ2 4.33Å; L12-W28 HydrophobicContact CB-CZ3 4.05Å; L12-W28 HydrophobicContact CD1-CZ3 4.25Å; C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; W28-M40 HydrophobicContact CB-CB 4.12Å; W28-M40 PolarHBondContact O-N 2.89Å; W28-G41 PolarHBondContact N-O 2.71Å; W28-F70 AromaticContact CD1-CD1 3.86Å; W28-F70 AromaticContact CD1-CE1 3.16Å; W28-F70 AromaticContact CD1-CZ 3.29Å; W28-F70 HydrophobicContact CD2-CD1 4.47Å; W28-F70 HydrophobicContact CD2-CE1 4.24Å; W28-F70 AromaticContact CE2-CD1 3.73Å; W28-F70 AromaticContact CE2-CE1 3.84Å; W28-F70 AromaticContact CG-CE1 3.87Å; W28-F70 HydrophobicContact CG-CE1 3.87Å; W28-F70 HydrophobicContact CG-CZ 4.3Å; W28-F70 HydrophobicContact CZ2-CD1 4.18Å; W28-F70 AromaticContact NE1-CD1 3.3Å; W28-F70 VanDerWaalsContact NE1-CD1 3.3Å; W28-F70 AromaticContact NE1-CE1 3.13Å; W28-F70 AromaticContact NE1-CE2 3.88Å; W28-F70 AromaticContact NE1-CG 3.77Å; W28-F70 AromaticContact NE1-CZ 3.44Å; W28-F71 VanDerWaalsContact NE1-C 3.35Å; W28-F71 PolarHBondContact NE1-O 3.17Å; W28-F71 VanDerWaalsContact NE1-O 3.17Å; W28-L72 HydrophobicContact CB-CD2 4.09Å; W28-L72 HydrophobicContact CD2-CB 3.62Å; W28-L72 HydrophobicContact CD2-CD2 3.9Å; W28-L72 HydrophobicContact CD2-CG 4.4Å; W28-L72 VanDerWaalsContact CE2-CB 3.42Å; W28-L72 HydrophobicContact CE3-CB 4.26Å; W28-L72 HydrophobicContact CE3-CD2 4.02Å; W28-L72 HydrophobicContact CG-CB 3.82Å; W28-L72 HydrophobicContact CG-CD2 3.92Å; W28-L72 HydrophobicContact CG-CG 4.38Å; W28-L72 HydrophobicContact CZ2-CB 3.92Å; W28-Y86 WeakPolarHBondContact CA-O 3.38Å; W28-C87 HydrophobicContact CH2-CB 4.48Å; W28-C87 HydrophobicContact CZ3-CB 4.44Å; W28-L102 HydrophobicContact CH2-CD1 4.39Å; W28-L102 HydrophobicContact CH2-CD2 4.13Å; W28-L102 HydrophobicContact CZ3-CD1 3.89Å; W28-L102 HydrophobicContact CZ3-CD2 4.21Å
29	I	93.7	Very high	89.3	Confident	35 Å²	35	53 Å²	53	18%	0.179	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.1	-178.9	-57.6	170.6	0	0	0	108.3	N27 L37 E38 Y85 Y86 A88	N27-I29 HydrophobicContact CB-CG1 4.46Å; I29-L37 HydrophobicContact CG2-CB 4.2Å; I29-L37 HydrophobicContact CG2-CD2 4.02Å; I29-E38 CarbonylContact C-O 3.49Å; I29-E38 WeakPolarHBondContact CA-O 3.42Å; I29-Y85 CarbonylContact O-C 3.59Å; I29-Y86 PolarHBondContact N-O 2.99Å; I29-Y86 PolarHBondContact O-N 2.95Å; I29-A88 HydrophobicContact CD1-CB 4.05Å
30	R	93.4	Very high	90.2	Very high	8 Å²	8	50.6 Å²	50.6	3%	0.03	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.9	167.9	176.3	167.1	65	-162.9	12.9	109.8	L37 E38 M40 D81 Y85	R30-L37 CarbonylContact O-C 3.52Å; R30-L37 WeakPolarHBondContact O-CA 3.33Å; R30-E38 IonicContact CZ-OE2 2.71Å; R30-E38 VanDerWaalsContact CZ-OE2 3.22Å; R30-E38 PolarHBondContact N-O 3.46Å; R30-E38 IonicContact NE-OE2 3.45Å; R30-E38 PolarHBondContact NE-OE2 3.22Å; R30-E38 IonicContact NH2-OE2 3.6Å; R30-E38 PolarHBondContact NH2-OE2 3.22Å; R30-E38 PolarHBondContact O-N 3.4Å; R30-M40 HydrophobicContact CB-CG 4.35Å; R30-M40 HydrophobicContact CB-SD 3.99Å; R30-D81 IonicContact CZ-OD1 3.24Å; R30-D81 VanDerWaalsContact NH1-CB 3.31Å; R30-D81 IonicContact NH1-OD1 2.77Å; R30-D81 PolarHBondContact NH1-OD1 2.89Å; R30-D81 IonicContact NH2-OD1 3.22Å; R30-D81 PolarHBondContact NH2-OD1 3.37Å; R30-Y85 HydrophobicContact CB-CD1 4.25Å; R30-Y85 HydrophobicContact CB-CE1 4.11Å; R30-Y85 WeakPolarHBondContact CD-OH 3.38Å; R30-Y85 HydrophobicContact CG-CE1 4.24Å; R30-Y85 PolarHBondContact NH1-OH 2.79Å
31	Q	92.8	Very high	90.6	Very high	39 Å²	39	48.5 Å²	48.5	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.9	167.6	-171	174.7	36.5	0	0	109.5	N35 K36 L37 G83 T84 Y86	Q31-N35 PolarHBondContact NE2-OD1 2.85Å; Q31-N35 VanDerWaalsContact NE2-OD1 3.15Å; Q31-K36 CarbonylContact C-O 3.6Å; Q31-K36 WeakPolarHBondContact CA-O 3.44Å; Q31-L37 HydrophobicContact CB-CD2 3.64Å; Q31-L37 HydrophobicContact CG-CD2 3.69Å; Q31-G83 CarbonylContact O-C 3.44Å; Q31-G83 WeakPolarHBondContact O-CA 3.42Å; Q31-T84 PolarHBondContact N-O 2.75Å; Q31-T84 PolarHBondContact O-N 2.99Å; Q31-Y86 HydrophobicContact CB-CD2 4.29Å; Q31-Y86 HydrophobicContact CB-CE2 3.71Å; Q31-Y86 PolarHBondContact OE1-OH 2.81Å
32	F	90.3	Very high	90.9	Very high	42 Å²	42	52 Å²	52	18%	0.184	28%	0.279	C	S	.	.			trans	-78.4	161.1	173.2	-60.4	-85.3	0	0	0	111.2	G34 N35 K36 E38 E80	F32-G34 PolarHBondContact O-N 2.77Å; F32-N35 PolarHBondContact O-N 3.04Å; F32-N35 VanDerWaalsContact O-N 3.09Å; F32-K36 HydrophobicContact CB-CB 4.41Å; F32-K36 HydrophobicContact CD2-CB 4.14Å; F32-K36 HydrophobicContact CD2-CD 4.06Å; F32-K36 HydrophobicContact CD2-CG 4.07Å; F32-K36 WeakPolarHBondContact CD2-O 3.5Å; F32-K36 HydrophobicContact CE2-CD 4.36Å; F32-K36 PolarHBondContact N-O 2.9Å; F32-E38 HydrophobicContact CE2-CB 3.73Å; F32-E38 HydrophobicContact CZ-CB 4.36Å; F32-E38 WeakPolarHBondContact CZ-OE2 3Å; F32-E80 WeakPolarHBondContact CE1-O 3.4Å
33	P	88.6	Confident	91.2	Very high	106 Å²	106	49.4 Å²	49.4	69%	0.688	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	136.9	158.8	-25.9	35.3	0	0	0	111
34	G	91.4	Very high	91.5	Very high	76 Å²	76	48.1 Å²	48.1	78%	0.784	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	15.5	-171.7	0	0	0	0	0	115	F32 K36	F32-G34 PolarHBondContact O-N 2.77Å; G34-K36 PolarHBondContact O-N 2.65Å; G34-K36 VanDerWaalsContact O-N 3.11Å
35	N	86.9	Confident	91.6	Very high	125 Å²	125	54.1 Å²	54.1	67%	0.668	27%	0.273	S	S	*	.	S	Bend	trans	66.6	3.5	171.7	-61.5	-54.1	0	0	0	117.3	Q31 F32 L37	Q31-N35 PolarHBondContact NE2-OD1 2.85Å; Q31-N35 VanDerWaalsContact NE2-OD1 3.15Å; F32-N35 PolarHBondContact O-N 3.04Å; F32-N35 VanDerWaalsContact O-N 3.09Å; N35-L37 PolarHBondContact O-N 2.67Å
36	K	91.7	Very high	91.8	Very high	144 Å²	144	53.6 Å²	53.6	63%	0.626	28%	0.282	S	S	*	.			trans	-59.7	131	172.3	-178.9	-175.1	176.7	-171.3	0	109.9	Q31 F32 G34	Q31-K36 CarbonylContact C-O 3.6Å; Q31-K36 WeakPolarHBondContact CA-O 3.44Å; F32-K36 HydrophobicContact CB-CB 4.41Å; F32-K36 HydrophobicContact CD2-CB 4.14Å; F32-K36 HydrophobicContact CD2-CD 4.06Å; F32-K36 HydrophobicContact CD2-CG 4.07Å; F32-K36 WeakPolarHBondContact CD2-O 3.5Å; F32-K36 HydrophobicContact CE2-CD 4.36Å; F32-K36 PolarHBondContact N-O 2.9Å; G34-K36 PolarHBondContact O-N 2.65Å; G34-K36 VanDerWaalsContact O-N 3.11Å
37	L	91.4	Very high	91.8	Very high	85 Å²	85	54.5 Å²	54.5	45%	0.445	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	142.7	175.4	-60.5	175.2	0	0	0	110.9	I29 R30 Q31 N35	I29-L37 HydrophobicContact CG2-CB 4.2Å; I29-L37 HydrophobicContact CG2-CD2 4.02Å; R30-L37 CarbonylContact O-C 3.52Å; R30-L37 WeakPolarHBondContact O-CA 3.33Å; Q31-L37 HydrophobicContact CB-CD2 3.64Å; Q31-L37 HydrophobicContact CG-CD2 3.69Å; N35-L37 PolarHBondContact O-N 2.67Å
38	E	93.8	Very high	91.8	Very high	40 Å²	40	56.7 Å²	56.7	19%	0.187	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	122	168.4	171.9	173.3	-123.7	0	0	109.1	I29 R30 F32	I29-E38 CarbonylContact C-O 3.49Å; I29-E38 WeakPolarHBondContact CA-O 3.42Å; R30-E38 IonicContact CZ-OE2 2.71Å; R30-E38 VanDerWaalsContact CZ-OE2 3.22Å; R30-E38 PolarHBondContact N-O 3.46Å; R30-E38 IonicContact NE-OE2 3.45Å; R30-E38 PolarHBondContact NE-OE2 3.22Å; R30-E38 IonicContact NH2-OE2 3.6Å; R30-E38 PolarHBondContact NH2-OE2 3.22Å; R30-E38 PolarHBondContact O-N 3.4Å; F32-E38 HydrophobicContact CE2-CB 3.73Å; F32-E38 HydrophobicContact CZ-CB 4.36Å; F32-E38 WeakPolarHBondContact CZ-OE2 3Å
39	W	94.3	Very high	91.8	Very high	87 Å²	87	60.3 Å²	60.3	33%	0.33	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.7	167.7	173.7	82.3	0	0	0	109	N27 G41 Y42 S50 N52	N27-W39 PolarHBondContact OD1-NE1 3.32Å; N27-W39 VanDerWaalsContact OD1-NE1 3.13Å; W39-G41 VanDerWaalsContact CE2-CA 3.44Å; W39-G41 PolarHBondContact NE1-O 2.87Å; W39-Y42 HydrophobicContact CH2-CD1 4.46Å; W39-Y42 AromaticContact CZ2-CD1 3.5Å; W39-Y42 HydrophobicContact CZ2-CD1 3.5Å; W39-Y42 VanDerWaalsContact CZ2-CD1 3.5Å; W39-Y42 HydrophobicContact CZ2-CE1 4.15Å; W39-Y42 HydrophobicContact CZ2-CG 4.24Å; W39-S50 WeakPolarHBondContact CZ2-O 3.34Å; W39-N52 HydrophobicContact CE3-CB 3.96Å; W39-N52 HydrophobicContact CZ3-CB 4Å; W39-N52 WeakPolarHBondContact O-CB 3.45Å; W39-N52 PolarHBondContact O-ND2 3.13Å
40	M	95.3	Very high	91.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-40	-179	-57.7	-177.2	74	0	0	111.5	W28 R30 N52 L55 I59 L72 L74 Y85	W28-M40 HydrophobicContact CB-CB 4.12Å; W28-M40 PolarHBondContact O-N 2.89Å; R30-M40 HydrophobicContact CB-CG 4.35Å; R30-M40 HydrophobicContact CB-SD 3.99Å; M40-N52 WeakPolarHBondContact O-CB 3.48Å; M40-N52 PolarHBondContact O-N 2.03Å; M40-L55 HydrophobicContact CB-CD1 4.05Å; M40-L55 HydrophobicContact CE-CD1 3.91Å; M40-L55 HydrophobicContact CG-CD1 3.87Å; M40-I59 HydrophobicContact CB-CD1 4.32Å; M40-I59 HydrophobicContact CE-CG2 3.96Å; M40-I59 WeakPolarHBondContact O-CD1 3.06Å; M40-L72 HydrophobicContact CE-CD1 4.33Å; M40-L72 HydrophobicContact CE-CD2 3.7Å; M40-L72 HydrophobicContact SD-CD2 3.59Å; M40-L72 VanDerWaalsContact SD-CD2 3.59Å; M40-L74 HydrophobicContact CE-CD2 4.38Å; M40-Y85 HydrophobicContact CE-CD1 4.48Å; M40-Y85 HydrophobicContact CE-CE1 3.82Å; M40-Y85 HydrophobicContact SD-CD1 3.7Å; M40-Y85 HydrophobicContact SD-CE1 3.54Å; M40-Y85 VanDerWaalsContact SD-CE1 3.54Å
41	G	94.8	Very high	91.8	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	173.1	179.5	0	0	0	0	0	112.2	N27 W28 W39 S50 I61	N27-G41 CarbonylContact C-O 3.56Å; N27-G41 WeakPolarHBondContact CA-O 3.41Å; W28-G41 PolarHBondContact N-O 2.71Å; W39-G41 VanDerWaalsContact CE2-CA 3.44Å; W39-G41 PolarHBondContact NE1-O 2.87Å; G41-S50 CarbonylContact C-O 3.56Å; G41-S50 WeakPolarHBondContact CA-O 3.32Å; G41-I61 VanDerWaalsContact CA-CD1 3.47Å
42	Y	93.5	Very high	91.9	Very high	73 Å²	73	61.6 Å²	61.6	29%	0.286	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	160.6	171.8	73	-115.2	0	0	0	112.5	Y25 W26 N27 W39 N44 T49 S50	Y25-Y42 HydrophobicContact CD1-CD2 4.02Å; Y25-Y42 HydrophobicContact CD1-CE2 4.04Å; Y25-Y42 HydrophobicContact CE1-CE2 4.23Å; W26-Y42 CarbonylContact O-C 3.55Å; W26-Y42 WeakPolarHBondContact O-CA 3.33Å; W26-Y42 WeakPolarHBondContact O-CB 3.24Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.5Å; W39-Y42 HydrophobicContact CH2-CD1 4.46Å; W39-Y42 AromaticContact CZ2-CD1 3.5Å; W39-Y42 HydrophobicContact CZ2-CD1 3.5Å; W39-Y42 VanDerWaalsContact CZ2-CD1 3.5Å; W39-Y42 HydrophobicContact CZ2-CE1 4.15Å; W39-Y42 HydrophobicContact CZ2-CG 4.24Å; Y42-N44 HydrophobicContact CE2-CB 4.37Å; Y42-T49 VanDerWaalsContact O-CA 3.25Å; Y42-T49 WeakPolarHBondContact O-CA 3.4Å; Y42-S50 VanDerWaalsContact CZ-CB 3.44Å; Y42-S50 PolarHBondContact N-O 2.77Å; Y42-S50 PolarHBondContact O-N 3.41Å
43	I	92.8	Very high	92.1	Very high	8 Å²	8	64.9 Å²	64.9	4%	0.041	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.1	157.3	-160.7	163.2	0	0	0	109.2	Y25 W26 S48 T49 I61 R63 F70	Y25-I43 WeakPolarHBondContact CA-O 3.42Å; W26-I43 HydrophobicContact CB-CG2 4.14Å; W26-I43 PolarHBondContact N-O 3.49Å; W26-I43 PolarHBondContact O-N 3.19Å; I43-S48 WeakPolarHBondContact CA-O 3.35Å; I43-T49 HydrophobicContact CB-CG2 4.04Å; I43-T49 HydrophobicContact CD1-CG2 3.86Å; I43-T49 HydrophobicContact CG1-CG2 3.75Å; I43-I61 HydrophobicContact CB-CG2 4.44Å; I43-R63 HydrophobicContact CD1-CB 4.36Å; I43-R63 HydrophobicContact CD1-CG 3.92Å; I43-F70 HydrophobicContact CB-CE2 3.89Å; I43-F70 HydrophobicContact CB-CZ 4.48Å; I43-F70 HydrophobicContact CG2-CD2 3.8Å; I43-F70 HydrophobicContact CG2-CE2 3.24Å; I43-F70 HydrophobicContact CG2-CZ 3.92Å
44	N	89.9	Confident	92.3	Very high	17 Å²	17	63.3 Å²	63.3	9%	0.091	36%	0.364	C	S	.	.			trans	-94.2	178	176.1	77.2	-7.7	0	0	0	111.9	G24 Y25 Y42 S46 G47 S48 R63	G24-N44 CarbonylContact O-C 3.53Å; Y25-N44 HydrophobicContact CD1-CB 3.6Å; Y25-N44 HydrophobicContact CE1-CB 3.51Å; Y25-N44 HydrophobicContact CG-CB 4.42Å; Y42-N44 HydrophobicContact CE2-CB 4.37Å; N44-S46 VanDerWaalsContact C-N 3.27Å; N44-S46 VanDerWaalsContact CG-OG 3.3Å; N44-S46 PolarHBondContact ND2-OG 3.44Å; N44-S46 PolarHBondContact O-N 2.85Å; N44-S46 PolarHBondContact OD1-N 2.82Å; N44-S46 VanDerWaalsContact OD1-N 3.12Å; N44-S46 PolarHBondContact OD1-OG 3.25Å; N44-G47 PolarHBondContact O-N 3.47Å; N44-G47 PolarHBondContact OD1-N 2.83Å; N44-S48 PolarHBondContact N-O 3.33Å; N44-S48 WeakPolarHBondContact OD1-CA 3.13Å; N44-S48 WeakPolarHBondContact OD1-CB 3.37Å; N44-S48 PolarHBondContact OD1-N 2.95Å; N44-S48 PolarHBondContact OD1-O 3.34Å; N44-R63 PolarHBondContact O-NH1 2.69Å
45	Y	86.5	Confident	92.3	Very high	136 Å²	136	59.9 Å²	59.9	53%	0.533	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.6	177.7	60.9	-90.2	0	0	0	113.2	T22 G24 G47 R63	T22-Y45 WeakPolarHBondContact O-CB 3.19Å; G24-Y45 PolarHBondContact O-N 2.96Å; Y45-G47 VanDerWaalsContact C-N 3.27Å; Y45-G47 PolarHBondContact O-N 3.15Å; Y45-R63 PolarHBondContact O-NH1 3.31Å; Y45-R63 PolarHBondContact O-NH2 3.13Å
46	S	89.8	Confident	92.5	Very high	72 Å²	72	61 Å²	61	50%	0.503	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.8	176	64.5	0	0	0	0	114.6	N44 S48	N44-S46 VanDerWaalsContact C-N 3.27Å; N44-S46 VanDerWaalsContact CG-OG 3.3Å; N44-S46 PolarHBondContact ND2-OG 3.44Å; N44-S46 PolarHBondContact O-N 2.85Å; N44-S46 PolarHBondContact OD1-N 2.82Å; N44-S46 VanDerWaalsContact OD1-N 3.12Å; N44-S46 PolarHBondContact OD1-OG 3.25Å; S46-S48 PolarHBondContact OG-OG 2.96Å; S46-S48 VanDerWaalsContact OG-OG 3.12Å
47	G	90.8	Very high	92.6	Very high	31 Å²	31	59.6 Å²	59.6	32%	0.32	33%	0.334	S	S	.	.	S	Bend	trans	87.5	3	-178.9	0	0	0	0	0	114.5	N44 Y45	N44-G47 PolarHBondContact O-N 3.47Å; N44-G47 PolarHBondContact OD1-N 2.83Å; Y45-G47 VanDerWaalsContact C-N 3.27Å; Y45-G47 PolarHBondContact O-N 3.15Å
48	S	92.2	Very high	92.8	Very high	67 Å²	67	57.9 Å²	57.9	47%	0.469	32%	0.322	S	S	.	.			trans	-72.3	132.2	174.2	-48.5	0	0	0	0	110.1	I43 N44 S46	I43-S48 WeakPolarHBondContact CA-O 3.35Å; N44-S48 PolarHBondContact N-O 3.33Å; N44-S48 WeakPolarHBondContact OD1-CA 3.13Å; N44-S48 WeakPolarHBondContact OD1-CB 3.37Å; N44-S48 PolarHBondContact OD1-N 2.95Å; N44-S48 PolarHBondContact OD1-O 3.34Å; S46-S48 PolarHBondContact OG-OG 2.96Å; S46-S48 VanDerWaalsContact OG-OG 3.12Å
49	T	93.3	Very high	92.8	Very high	75 Å²	75	56.5 Å²	56.5	46%	0.46	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	150.8	-178.5	51.3	0	0	0	0	112.4	Y42 I43 I61	Y42-T49 VanDerWaalsContact O-CA 3.25Å; Y42-T49 WeakPolarHBondContact O-CA 3.4Å; I43-T49 HydrophobicContact CB-CG2 4.04Å; I43-T49 HydrophobicContact CD1-CG2 3.86Å; I43-T49 HydrophobicContact CG1-CG2 3.75Å; T49-I61 HydrophobicContact CG2-CG2 4.41Å
50	S	94.1	Very high	92.9	Very high	44 Å²	44	54.8 Å²	54.8	31%	0.308	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	135	166.8	-172.7	0	0	0	0	108.7	W39 G41 Y42	W39-S50 WeakPolarHBondContact CZ2-O 3.34Å; G41-S50 CarbonylContact C-O 3.56Å; G41-S50 WeakPolarHBondContact CA-O 3.32Å; Y42-S50 VanDerWaalsContact CZ-CB 3.44Å; Y42-S50 PolarHBondContact N-O 2.77Å; Y42-S50 PolarHBondContact O-N 3.41Å
51	N	94.6	Very high	92.9	Very high	36 Å²	36	55.3 Å²	55.3	19%	0.193	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.3	-172.6	-69.1	-7.3	0	0	0	109.9	P53 K56 I59	N51-P53 WeakPolarHBondContact O-CD 3.25Å; N51-K56 HydrophobicContact CB-CB 4.4Å; N51-K56 HydrophobicContact CB-CG 4.33Å; N51-I59 HydrophobicContact CB-CD1 3.99Å; N51-I59 HydrophobicContact CB-CG1 4.34Å
52	N	94.6	Very high	92.9	Very high	30 Å²	30	58.7 Å²	58.7	16%	0.16	34%	0.341	C	S	.	.			trans	-58.7	124.1	170.1	-176.9	-17.6	0	0	0	109.7	W39 M40 S54 L55 K56	W39-N52 HydrophobicContact CE3-CB 3.96Å; W39-N52 HydrophobicContact CZ3-CB 4Å; W39-N52 WeakPolarHBondContact O-CB 3.45Å; W39-N52 PolarHBondContact O-ND2 3.13Å; M40-N52 WeakPolarHBondContact O-CB 3.48Å; M40-N52 PolarHBondContact O-N 2.03Å; N52-S54 PolarHBondContact ND2-OG 2.86Å; N52-S54 PolarHBondContact O-N 2.84Å; N52-S54 VanDerWaalsContact O-N 3.15Å; N52-S54 PolarHBondContact OD1-N 2.92Å; N52-S54 VanDerWaalsContact OD1-N 3.17Å; N52-S54 PolarHBondContact OD1-OG 2.86Å; N52-L55 HydrophobicContact CB-CB 4.41Å; N52-L55 HydrophobicContact CB-CD1 4.42Å; N52-L55 CarbonylContact O-C 3.39Å; N52-L55 PolarHBondContact O-N 2.89Å; N52-K56 PolarHBondContact O-N 3.24Å
53	P	94.3	Very high	92.9	Very high	110 Å²	110	57.9 Å²	57.9	71%	0.714	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-34.3	-178.8	-29.5	36.5	0	0	0	114.7	N51 L55	N51-P53 WeakPolarHBondContact O-CD 3.25Å; P53-L55 PolarHBondContact O-N 2.87Å
54	S	91.7	Very high	92.9	Very high	74 Å²	74	59.1 Å²	59.1	52%	0.517	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.3	178.1	64.2	0	0	0	0	113.6	N52	N52-S54 PolarHBondContact ND2-OG 2.86Å; N52-S54 PolarHBondContact O-N 2.84Å; N52-S54 VanDerWaalsContact O-N 3.15Å; N52-S54 PolarHBondContact OD1-N 2.92Å; N52-S54 VanDerWaalsContact OD1-N 3.17Å; N52-S54 PolarHBondContact OD1-OG 2.86Å
55	L	93.1	Very high	93	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-9.6	-175.9	-62.1	178.9	0	0	0	113	M40 N52 P53 S57 R58 I59	M40-L55 HydrophobicContact CB-CD1 4.05Å; M40-L55 HydrophobicContact CE-CD1 3.91Å; M40-L55 HydrophobicContact CG-CD1 3.87Å; N52-L55 HydrophobicContact CB-CB 4.41Å; N52-L55 HydrophobicContact CB-CD1 4.42Å; N52-L55 CarbonylContact O-C 3.39Å; N52-L55 PolarHBondContact O-N 2.89Å; P53-L55 PolarHBondContact O-N 2.87Å; L55-S57 PolarHBondContact O-N 2.86Å; L55-R58 VanDerWaalsContact CD2-NH2 3.32Å; L55-R58 WeakPolarHBondContact O-CA 3.28Å; L55-R58 PolarHBondContact O-N 2.86Å; L55-I59 HydrophobicContact CB-CD1 4.01Å; L55-I59 HydrophobicContact CB-CG1 4.24Å; L55-I59 HydrophobicContact CB-CG2 3.95Å; L55-I59 WeakPolarHBondContact O-CG1 3.04Å; L55-I59 PolarHBondContact O-N 3.03Å
56	K	91.2	Very high	93.3	Very high	147 Å²	147	60.7 Å²	60.7	64%	0.639	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.7	-168.7	-174.3	176.9	178.9	-178.2	0	115	N51 N52	N51-K56 HydrophobicContact CB-CB 4.4Å; N51-K56 HydrophobicContact CB-CG 4.33Å; N52-K56 PolarHBondContact O-N 3.24Å
57	S	93.3	Very high	93.4	Very high	115 Å²	115	63.4 Å²	63.4	80%	0.804	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.6	176.1	55.3	0	0	0	0	114.1	L55	L55-S57 PolarHBondContact O-N 2.86Å
58	R	94.4	Very high	93.4	Very high	49 Å²	49	63.7 Å²	63.7	19%	0.185	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-29.3	-174.7	-59.1	-159.8	-61	136.7	0.7	113.3	L55 L74 N75 S76 D81	L55-R58 VanDerWaalsContact CD2-NH2 3.32Å; L55-R58 WeakPolarHBondContact O-CA 3.28Å; L55-R58 PolarHBondContact O-N 2.86Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; R58-N75 WeakPolarHBondContact CB-O 3.25Å; R58-N75 PolarHBondContact O-N 2.84Å; R58-N75 PolarHBondContact O-ND2 3.47Å; R58-S76 PolarHBondContact NH1-O 2.85Å; R58-D81 IonicContact CZ-OD1 3.49Å; R58-D81 IonicContact CZ-OD2 2.69Å; R58-D81 IonicContact NH1-OD1 3.47Å; R58-D81 PolarHBondContact NH1-OD1 3.19Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 2.76Å; R58-D81 IonicContact NH2-OD1 3.55Å; R58-D81 PolarHBondContact NH2-OD1 2.87Å; R58-D81 IonicContact NH2-OD2 3.32Å; R58-D81 PolarHBondContact NH2-OD2 2.97Å
59	I	95	Very high	93.5	Very high	11 Å²	11	62.5 Å²	62.5	6%	0.056	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	144	-176	70.4	176.7	0	0	0	113.9	M40 N51 L55 I61 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 4.32Å; M40-I59 HydrophobicContact CE-CG2 3.96Å; M40-I59 WeakPolarHBondContact O-CD1 3.06Å; N51-I59 HydrophobicContact CB-CD1 3.99Å; N51-I59 HydrophobicContact CB-CG1 4.34Å; L55-I59 HydrophobicContact CB-CD1 4.01Å; L55-I59 HydrophobicContact CB-CG1 4.24Å; L55-I59 HydrophobicContact CB-CG2 3.95Å; L55-I59 WeakPolarHBondContact O-CG1 3.04Å; L55-I59 PolarHBondContact O-N 3.03Å; I59-I61 HydrophobicContact CD1-CD1 4.12Å; I59-L72 HydrophobicContact CB-CD1 3.92Å; I59-L72 HydrophobicContact CG2-CD1 4.03Å; I59-Q73 CarbonylContact C-O 3.58Å; I59-Q73 VanDerWaalsContact CA-O 3.25Å; I59-Q73 WeakPolarHBondContact CA-O 3.5Å; I59-L74 HydrophobicContact CG2-CB 4.44Å; I59-L74 HydrophobicContact CG2-CD1 3.6Å
60	S	95.5	Very high	93.5	Very high	52 Å²	52	59 Å²	59	36%	0.364	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.9	163	-174.4	0	0	0	0	109.1	L72 Q73	S60-L72 WeakPolarHBondContact O-CA 3.3Å; S60-Q73 PolarHBondContact N-O 3.19Å; S60-Q73 PolarHBondContact O-N 2.79Å
61	I	95.7	Very high	93.5	Very high	11 Å²	11	59.3 Å²	59.3	6%	0.056	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.1	-178.9	-69.3	178	0	0	0	107.8	G41 I43 T49 I59 F70 F71 L72	G41-I61 VanDerWaalsContact CA-CD1 3.47Å; I43-I61 HydrophobicContact CB-CG2 4.44Å; T49-I61 HydrophobicContact CG2-CG2 4.41Å; I59-I61 HydrophobicContact CD1-CD1 4.12Å; I61-F70 HydrophobicContact CG2-CD2 4.42Å; I61-F70 HydrophobicContact CG2-CE2 3.31Å; I61-F70 HydrophobicContact CG2-CZ 3.58Å; I61-F71 WeakPolarHBondContact CA-O 3.5Å; I61-L72 HydrophobicContact CG1-CD1 3.93Å
62	T	94.9	Very high	93.6	Very high	71 Å²	71	57.7 Å²	57.7	44%	0.436	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	169.4	-177.4	64.8	0	0	0	0	110.7	F70 F71	T62-F70 VanDerWaalsContact O-CD2 3.23Å; T62-F70 WeakPolarHBondContact O-CD2 3.03Å; T62-F71 PolarHBondContact N-O 2.86Å; T62-F71 PolarHBondContact O-N 3.41Å
63	R	93.6	Very high	93.6	Very high	56 Å²	56	60 Å²	60	21%	0.211	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.9	173.2	72.8	179.8	-178.4	-161.9	-7.6	111.2	I21 I43 N44 Y45 T65 Q69 F70	I21-R63 HydrophobicContact CG1-CB 4.04Å; I21-R63 PolarHBondContact O-NH1 2.73Å; I21-R63 VanDerWaalsContact O-NH1 3.1Å; I43-R63 HydrophobicContact CD1-CB 4.36Å; I43-R63 HydrophobicContact CD1-CG 3.92Å; N44-R63 PolarHBondContact O-NH1 2.69Å; Y45-R63 PolarHBondContact O-NH1 3.31Å; Y45-R63 PolarHBondContact O-NH2 3.13Å; R63-T65 HydrophobicContact CG-CG2 4.23Å; R63-Q69 CarbonylContact C-O 3.56Å; R63-Q69 VanDerWaalsContact CA-O 3.24Å; R63-Q69 WeakPolarHBondContact CA-O 3.02Å; R63-Q69 WeakPolarHBondContact CB-O 3.49Å; R63-F70 HydrophobicContact CB-CD2 4.32Å
64	D	93.1	Very high	93.6	Very high	34 Å²	34	54.8 Å²	54.8	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108	166.1	-176	-23.8	0	0	0	107.9	S66 K67 N68 Q69 F71	D64-S66 VanDerWaalsContact C-N 3.29Å; D64-S66 PolarHBondContact O-N 3.06Å; D64-S66 WeakPolarHBondContact OD1-CA 3.47Å; D64-S66 WeakPolarHBondContact OD1-CB 3.49Å; D64-S66 PolarHBondContact OD1-N 2.95Å; D64-S66 PolarHBondContact OD1-OG 3.01Å; D64-K67 HydrophobicContact CB-CB 4.31Å; D64-K67 PolarHBondContact OD1-N 2.82Å; D64-K67 VanDerWaalsContact OD1-N 3.11Å; D64-K67 WeakPolarHBondContact OD2-CD 3.42Å; D64-K67 WeakPolarHBondContact OD2-CE 3.01Å; D64-K67 WeakPolarHBondContact OD2-CG 3.49Å; D64-K67 IonicContact OD2-NZ 2.71Å; D64-K67 PolarHBondContact OD2-NZ 2.81Å; D64-N68 PolarHBondContact O-N 2.75Å; D64-Q69 PolarHBondContact N-O 2.68Å; D64-Q69 PolarHBondContact O-N 3.32Å; D64-F71 HydrophobicContact CB-CE2 3.74Å; D64-F71 HydrophobicContact CB-CZ 4.37Å
65	T	91.9	Very high	93.7	Very high	83 Å²	83	53.6 Å²	53.6	51%	0.509	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-20.4	-179.5	55.1	0	0	0	0	112.8	I21 T22 R63	I21-T65 HydrophobicContact CG2-CG2 4.03Å; T22-T65 HydrophobicContact CG2-CG2 3.52Å; R63-T65 HydrophobicContact CG-CG2 4.23Å
66	S	92.2	Very high	93.6	Very high	103 Å²	103	56.1 Å²	56.1	72%	0.72	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-31.9	176.8	74.4	0	0	0	0	112	D64	D64-S66 VanDerWaalsContact C-N 3.29Å; D64-S66 PolarHBondContact O-N 3.06Å; D64-S66 WeakPolarHBondContact OD1-CA 3.47Å; D64-S66 WeakPolarHBondContact OD1-CB 3.49Å; D64-S66 PolarHBondContact OD1-N 2.95Å; D64-S66 PolarHBondContact OD1-OG 3.01Å
67	K	92.8	Very high	93.6	Very high	129 Å²	129	51.4 Å²	51.4	56%	0.561	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-4.1	176.9	-59.2	-171.8	-169.2	102	0	114.1	D64 Q69	D64-K67 HydrophobicContact CB-CB 4.31Å; D64-K67 PolarHBondContact OD1-N 2.82Å; D64-K67 VanDerWaalsContact OD1-N 3.11Å; D64-K67 WeakPolarHBondContact OD2-CD 3.42Å; D64-K67 WeakPolarHBondContact OD2-CE 3.01Å; D64-K67 WeakPolarHBondContact OD2-CG 3.49Å; D64-K67 IonicContact OD2-NZ 2.71Å; D64-K67 PolarHBondContact OD2-NZ 2.81Å; K67-Q69 VanDerWaalsContact C-N 3.31Å; K67-Q69 HydrophobicContact CB-CB 4.29Å; K67-Q69 HydrophobicContact CB-CG 4.07Å; K67-Q69 PolarHBondContact O-N 3.35Å
68	N	90.8	Very high	93.4	Very high	36 Å²	36	48.5 Å²	48.5	19%	0.193	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	42.3	-173.4	-154.2	33.5	0	0	0	113.2	V16 D19 S20 I21 D64	V16-N68 WeakPolarHBondContact CB-ND2 3.22Å; V16-N68 PolarHBondContact N-O 2.95Å; V16-N68 PolarHBondContact O-ND2 3.21Å; D19-N68 PolarHBondContact O-ND2 3.34Å; S20-N68 WeakPolarHBondContact CA-OD1 3.39Å; I21-N68 PolarHBondContact N-OD1 3.05Å; D64-N68 PolarHBondContact O-N 2.75Å
69	Q	93.4	Very high	93.2	Very high	43 Å²	43	51.8 Å²	51.8	20%	0.201	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.2	-172	-79	175.9	-27.2	0	0	112.7	T13 C14 S15 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.37Å; T13-Q69 HydrophobicContact CG2-CG 4.1Å; C14-Q69 CarbonylContact O-C 3.57Å; C14-Q69 WeakPolarHBondContact O-CA 3.26Å; S15-Q69 PolarHBondContact OG-NE2 2.65Å; S15-Q69 VanDerWaalsContact OG-NE2 3.08Å; R63-Q69 CarbonylContact C-O 3.56Å; R63-Q69 VanDerWaalsContact CA-O 3.24Å; R63-Q69 WeakPolarHBondContact CA-O 3.02Å; R63-Q69 WeakPolarHBondContact CB-O 3.49Å; D64-Q69 PolarHBondContact N-O 2.68Å; D64-Q69 PolarHBondContact O-N 3.32Å; K67-Q69 VanDerWaalsContact C-N 3.31Å; K67-Q69 HydrophobicContact CB-CB 4.29Å; K67-Q69 HydrophobicContact CB-CG 4.07Å; K67-Q69 PolarHBondContact O-N 3.35Å; Q69-F71 HydrophobicContact CB-CE1 4.29Å; Q69-F71 HydrophobicContact CB-CE2 3.67Å; Q69-F71 HydrophobicContact CB-CZ 3.49Å; Q69-F71 VanDerWaalsContact CB-CZ 3.49Å; Q69-F71 HydrophobicContact CG-CZ 4.35Å
70	F	92.5	Very high	92.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.2	176.2	-172	-141.4	0	0	0	109.7	C14 I21 W26 W28 I43 I61 T62 R63 C87	C14-F70 HydrophobicContact CB-CB 4.11Å; C14-F70 PolarHBondContact N-O 3.22Å; C14-F70 PolarHBondContact O-N 2.86Å; I21-F70 HydrophobicContact CD1-CB 3.59Å; I21-F70 HydrophobicContact CD1-CG 4.1Å; I21-F70 HydrophobicContact CG1-CB 4.29Å; W26-F70 HydrophobicContact CB-CD1 4.03Å; W26-F70 HydrophobicContact CB-CE1 3.86Å; W26-F70 HydrophobicContact CB-CE2 4.45Å; W26-F70 HydrophobicContact CB-CG 4.39Å; W26-F70 HydrophobicContact CB-CZ 4.09Å; W26-F70 WeakPolarHBondContact O-CZ 3.36Å; W28-F70 AromaticContact CD1-CD1 3.86Å; W28-F70 AromaticContact CD1-CE1 3.16Å; W28-F70 AromaticContact CD1-CZ 3.29Å; W28-F70 HydrophobicContact CD2-CD1 4.47Å; W28-F70 HydrophobicContact CD2-CE1 4.24Å; W28-F70 AromaticContact CE2-CD1 3.73Å; W28-F70 AromaticContact CE2-CE1 3.84Å; W28-F70 AromaticContact CG-CE1 3.87Å; W28-F70 HydrophobicContact CG-CE1 3.87Å; W28-F70 HydrophobicContact CG-CZ 4.3Å; W28-F70 HydrophobicContact CZ2-CD1 4.18Å; W28-F70 AromaticContact NE1-CD1 3.3Å; W28-F70 VanDerWaalsContact NE1-CD1 3.3Å; W28-F70 AromaticContact NE1-CE1 3.13Å; W28-F70 AromaticContact NE1-CE2 3.88Å; W28-F70 AromaticContact NE1-CG 3.77Å; W28-F70 AromaticContact NE1-CZ 3.44Å; I43-F70 HydrophobicContact CB-CE2 3.89Å; I43-F70 HydrophobicContact CB-CZ 4.48Å; I43-F70 HydrophobicContact CG2-CD2 3.8Å; I43-F70 HydrophobicContact CG2-CE2 3.24Å; I43-F70 HydrophobicContact CG2-CZ 3.92Å; I61-F70 HydrophobicContact CG2-CD2 4.42Å; I61-F70 HydrophobicContact CG2-CE2 3.31Å; I61-F70 HydrophobicContact CG2-CZ 3.58Å; T62-F70 VanDerWaalsContact O-CD2 3.23Å; T62-F70 WeakPolarHBondContact O-CD2 3.03Å; R63-F70 HydrophobicContact CB-CD2 4.32Å; F70-C87 HydrophobicContact CD1-CB 4.11Å
71	F	95.1	Very high	92.5	Very high	51 Å²	51	56.4 Å²	56.4	22%	0.224	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.4	-171.8	-55.1	-86.2	0	0	0	111.4	L12 T13 W28 I61 T62 D64 Q69	L12-F71 VanDerWaalsContact O-CA 3.3Å; L12-F71 WeakPolarHBondContact O-CA 3.38Å; T13-F71 HydrophobicContact CG2-CD1 3.94Å; T13-F71 HydrophobicContact CG2-CE1 3.52Å; T13-F71 HydrophobicContact CG2-CZ 4.27Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.13Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.4Å; W28-F71 VanDerWaalsContact NE1-C 3.35Å; W28-F71 PolarHBondContact NE1-O 3.17Å; W28-F71 VanDerWaalsContact NE1-O 3.17Å; I61-F71 WeakPolarHBondContact CA-O 3.5Å; T62-F71 PolarHBondContact N-O 2.86Å; T62-F71 PolarHBondContact O-N 3.41Å; D64-F71 HydrophobicContact CB-CE2 3.74Å; D64-F71 HydrophobicContact CB-CZ 4.37Å; Q69-F71 HydrophobicContact CB-CE1 4.29Å; Q69-F71 HydrophobicContact CB-CE2 3.67Å; Q69-F71 HydrophobicContact CB-CZ 3.49Å; Q69-F71 VanDerWaalsContact CB-CZ 3.49Å; Q69-F71 HydrophobicContact CG-CZ 4.35Å
72	L	95.7	Very high	92.2	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.5	167	167	65.2	0	0	0	108.1	S11 L12 W28 M40 I59 S60 I61 Y85	S11-L72 WeakPolarHBondContact CA-O 3.38Å; L12-L72 HydrophobicContact CB-CB 4.38Å; L12-L72 HydrophobicContact CD1-CD2 4.06Å; L12-L72 PolarHBondContact N-O 3.22Å; L12-L72 PolarHBondContact O-N 2.79Å; W28-L72 HydrophobicContact CB-CD2 4.09Å; W28-L72 HydrophobicContact CD2-CB 3.62Å; W28-L72 HydrophobicContact CD2-CD2 3.9Å; W28-L72 HydrophobicContact CD2-CG 4.4Å; W28-L72 VanDerWaalsContact CE2-CB 3.42Å; W28-L72 HydrophobicContact CE3-CB 4.26Å; W28-L72 HydrophobicContact CE3-CD2 4.02Å; W28-L72 HydrophobicContact CG-CB 3.82Å; W28-L72 HydrophobicContact CG-CD2 3.92Å; W28-L72 HydrophobicContact CG-CG 4.38Å; W28-L72 HydrophobicContact CZ2-CB 3.92Å; M40-L72 HydrophobicContact CE-CD1 4.33Å; M40-L72 HydrophobicContact CE-CD2 3.7Å; M40-L72 HydrophobicContact SD-CD2 3.59Å; M40-L72 VanDerWaalsContact SD-CD2 3.59Å; I59-L72 HydrophobicContact CB-CD1 3.92Å; I59-L72 HydrophobicContact CG2-CD1 4.03Å; S60-L72 WeakPolarHBondContact O-CA 3.3Å; I61-L72 HydrophobicContact CG1-CD1 3.93Å; L72-Y85 HydrophobicContact CD2-CD1 4.12Å; L72-Y85 HydrophobicContact CD2-CE1 4.4Å
73	Q	95.5	Very high	92	Very high	80 Å²	80	58.1 Å²	58.1	37%	0.374	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128	164.2	-173.4	179.6	68.7	0	0	108.2	T9 L10 I59 S60	T9-Q73 HydrophobicContact CG2-CG 3.37Å; L10-Q73 CarbonylContact O-C 3.58Å; L10-Q73 WeakPolarHBondContact O-CA 3.37Å; I59-Q73 CarbonylContact C-O 3.58Å; I59-Q73 VanDerWaalsContact CA-O 3.25Å; I59-Q73 WeakPolarHBondContact CA-O 3.5Å; S60-Q73 PolarHBondContact N-O 3.19Å; S60-Q73 PolarHBondContact O-N 2.79Å
74	L	94.3	Very high	92	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.8	173.5	171.6	64.9	0	0	0	108.5	T9 L10 M40 R58 I59 V77 D81	T9-L74 CarbonylContact C-O 3.42Å; T9-L74 WeakPolarHBondContact CA-O 3.5Å; L10-L74 HydrophobicContact CB-CB 4.41Å; L10-L74 PolarHBondContact N-O 3.39Å; L10-L74 PolarHBondContact O-N 2.88Å; M40-L74 HydrophobicContact CE-CD2 4.38Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; I59-L74 HydrophobicContact CG2-CB 4.44Å; I59-L74 HydrophobicContact CG2-CD1 3.6Å; L74-V77 HydrophobicContact CD2-CG2 4.12Å; L74-V77 HydrophobicContact CG-CG2 4.01Å; L74-V77 WeakPolarHBondContact O-CG2 3.49Å; L74-D81 HydrophobicContact CD2-CB 3.98Å
75	N	93.8	Very high	92	Very high	49 Å²	49	57.5 Å²	57.5	26%	0.262	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	156	178.5	-60.5	-59.1	0	0	0	111.1	T9 R58 V77	T9-N75 WeakPolarHBondContact CG2-OD1 3.49Å; T9-N75 PolarHBondContact OG1-OD1 3.43Å; R58-N75 WeakPolarHBondContact CB-O 3.25Å; R58-N75 PolarHBondContact O-N 2.84Å; R58-N75 PolarHBondContact O-ND2 3.47Å; N75-V77 VanDerWaalsContact C-N 3.35Å; N75-V77 PolarHBondContact O-N 2.99Å
76	S	91.4	Very high	91.9	Very high	57 Å²	57	57 Å²	57	40%	0.399	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.5	51.8	-177.5	-60.5	0	0	0	0	112.3	S7 Q8 R58 T78	S7-S76 WeakPolarHBondContact OG-CA 3.23Å; S7-S76 WeakPolarHBondContact OG-CB 3.47Å; S7-S76 PolarHBondContact OG-N 3.47Å; S7-S76 PolarHBondContact OG-OG 3.17Å; Q8-S76 PolarHBondContact O-N 3.11Å; R58-S76 PolarHBondContact NH1-O 2.85Å; S76-T78 PolarHBondContact O-N 2.83Å
77	V	90.3	Very high	91.8	Very high	47 Å²	47	52.3 Å²	52.3	29%	0.285	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	128	173.9	175	0	0	0	0	109.9	Q8 L10 L74 N75 D81	Q8-V77 HydrophobicContact CB-CB 4.45Å; Q8-V77 WeakPolarHBondContact O-CB 3.17Å; Q8-V77 VanDerWaalsContact O-CG2 3.28Å; Q8-V77 WeakPolarHBondContact O-CG2 3.44Å; Q8-V77 PolarHBondContact O-N 2.82Å; L10-V77 HydrophobicContact CB-CG2 3.76Å; L74-V77 HydrophobicContact CD2-CG2 4.12Å; L74-V77 HydrophobicContact CG-CG2 4.01Å; L74-V77 WeakPolarHBondContact O-CG2 3.49Å; N75-V77 VanDerWaalsContact C-N 3.35Å; N75-V77 PolarHBondContact O-N 2.99Å; V77-D81 WeakPolarHBondContact CA-OD2 3.49Å; V77-D81 HydrophobicContact CG1-CB 4.2Å
78	T	90.1	Very high	91.6	Very high	55 Å²	55	46.8 Å²	46.8	34%	0.337	26%	0.261	S	S	.	.			trans	-114.7	169.6	174.9	76.7	0	0	0	0	110.2	S76 E80 D81	S76-T78 PolarHBondContact O-N 2.83Å; T78-E80 PolarHBondContact O-N 3Å; T78-E80 WeakPolarHBondContact OG1-CB 3.49Å; T78-E80 PolarHBondContact OG1-N 3.27Å; T78-D81 PolarHBondContact N-OD2 2.91Å; T78-D81 WeakPolarHBondContact O-CB 3.42Å; T78-D81 PolarHBondContact O-N 3.39Å; T78-D81 PolarHBondContact OG1-OD2 3.05Å
79	P	89.1	Confident	91.4	Very high	117 Å²	117	48.3 Å²	48.3	76%	0.76	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-57.2	-27.7	172	-26.2	36.4	0	0	0	113.8	D81 T82	P79-D81 PolarHBondContact O-N 2.83Å; P79-T82 VanDerWaalsContact O-CB 3.26Å; P79-T82 WeakPolarHBondContact O-CB 3.39Å; P79-T82 PolarHBondContact O-N 3.12Å; P79-T82 VanDerWaalsContact O-N 3.17Å; P79-T82 PolarHBondContact O-OG1 3.27Å
80	E	88.2	Confident	90.6	Very high	155 Å²	155	48 Å²	48	72%	0.724	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-65.7	-22.4	175.1	-55.8	177.4	168.7	0	0	112.2	F32 T78 T82	F32-E80 WeakPolarHBondContact CE1-O 3.4Å; T78-E80 PolarHBondContact O-N 3Å; T78-E80 WeakPolarHBondContact OG1-CB 3.49Å; T78-E80 PolarHBondContact OG1-N 3.27Å; E80-T82 PolarHBondContact O-N 2.8Å
81	D	88.4	Confident	89.1	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.027	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-80.7	3.8	176.5	-60.1	-57	0	0	0	113.8	R30 R58 L74 V77 T78 P79 G83 Y85	R30-D81 IonicContact CZ-OD1 3.24Å; R30-D81 VanDerWaalsContact NH1-CB 3.31Å; R30-D81 IonicContact NH1-OD1 2.77Å; R30-D81 PolarHBondContact NH1-OD1 2.89Å; R30-D81 IonicContact NH2-OD1 3.22Å; R30-D81 PolarHBondContact NH2-OD1 3.37Å; R58-D81 IonicContact CZ-OD1 3.49Å; R58-D81 IonicContact CZ-OD2 2.69Å; R58-D81 IonicContact NH1-OD1 3.47Å; R58-D81 PolarHBondContact NH1-OD1 3.19Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 2.76Å; R58-D81 IonicContact NH2-OD1 3.55Å; R58-D81 PolarHBondContact NH2-OD1 2.87Å; R58-D81 IonicContact NH2-OD2 3.32Å; R58-D81 PolarHBondContact NH2-OD2 2.97Å; L74-D81 HydrophobicContact CD2-CB 3.98Å; V77-D81 WeakPolarHBondContact CA-OD2 3.49Å; V77-D81 HydrophobicContact CG1-CB 4.2Å; T78-D81 PolarHBondContact N-OD2 2.91Å; T78-D81 WeakPolarHBondContact O-CB 3.42Å; T78-D81 PolarHBondContact O-N 3.39Å; T78-D81 PolarHBondContact OG1-OD2 3.05Å; P79-D81 PolarHBondContact O-N 2.83Å; D81-G83 PolarHBondContact O-N 2.94Å; D81-Y85 PolarHBondContact O-OH 2.82Å
82	T	89.1	Confident	87.1	Confident	93 Å²	93	53.3 Å²	53.3	57%	0.571	30%	0.301	S	S	*	.			trans	-69	119.9	177.5	-54.5	0	0	0	0	111.1	P79 E80	P79-T82 VanDerWaalsContact O-CB 3.26Å; P79-T82 WeakPolarHBondContact O-CB 3.39Å; P79-T82 PolarHBondContact O-N 3.12Å; P79-T82 VanDerWaalsContact O-N 3.17Å; P79-T82 PolarHBondContact O-OG1 3.27Å; E80-T82 PolarHBondContact O-N 2.8Å
83	G	91	Very high	84.7	Confident	26 Å²	26	59.3 Å²	59.3	27%	0.268	34%	0.34	S	S	.	.	S	Bend	trans	178	175.2	177.7	0	0	0	0	0	112.2	Q31 D81 Y85	Q31-G83 CarbonylContact O-C 3.44Å; Q31-G83 WeakPolarHBondContact O-CA 3.42Å; D81-G83 PolarHBondContact O-N 2.94Å; G83-Y85 WeakPolarHBondContact O-CD2 3.37Å; G83-Y85 WeakPolarHBondContact O-CE2 3.42Å
84	T	92.9	Very high	82.6	Confident	61 Å²	61	63.3 Å²	63.3	37%	0.374	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.2	171.5	-50.4	0	0	0	0	109.1	Q31 Y86	Q31-T84 PolarHBondContact N-O 2.75Å; Q31-T84 PolarHBondContact O-N 2.99Å; T84-Y86 HydrophobicContact CG2-CD2 4.47Å; T84-Y86 HydrophobicContact CG2-CE1 4.12Å; T84-Y86 HydrophobicContact CG2-CE2 3.67Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.46Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.12Å
85	Y	93	Very high	80.4	Confident	16 Å²	16	67.2 Å²	67.2	6%	0.063	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	149.4	177.5	-66.9	-100.4	0	0	0	110.2	L10 L12 I29 R30 M40 L72 D81 G83 L102	L10-Y85 HydrophobicContact CD2-CD2 4.36Å; L10-Y85 HydrophobicContact CD2-CE1 4.46Å; L10-Y85 HydrophobicContact CD2-CE2 3.83Å; L12-Y85 HydrophobicContact CD1-CD1 3.54Å; L12-Y85 HydrophobicContact CD1-CD2 4Å; L12-Y85 HydrophobicContact CD1-CE1 4.23Å; L12-Y85 HydrophobicContact CD1-CG 3.41Å; L12-Y85 VanDerWaalsContact CD1-CG 3.41Å; I29-Y85 CarbonylContact O-C 3.59Å; R30-Y85 HydrophobicContact CB-CD1 4.25Å; R30-Y85 HydrophobicContact CB-CE1 4.11Å; R30-Y85 WeakPolarHBondContact CD-OH 3.38Å; R30-Y85 HydrophobicContact CG-CE1 4.24Å; R30-Y85 PolarHBondContact NH1-OH 2.79Å; M40-Y85 HydrophobicContact CE-CD1 4.48Å; M40-Y85 HydrophobicContact CE-CE1 3.82Å; M40-Y85 HydrophobicContact SD-CD1 3.7Å; M40-Y85 HydrophobicContact SD-CE1 3.54Å; M40-Y85 VanDerWaalsContact SD-CE1 3.54Å; L72-Y85 HydrophobicContact CD2-CD1 4.12Å; L72-Y85 HydrophobicContact CD2-CE1 4.4Å; D81-Y85 PolarHBondContact O-OH 2.82Å; G83-Y85 WeakPolarHBondContact O-CD2 3.37Å; G83-Y85 WeakPolarHBondContact O-CE2 3.42Å; Y85-L102 WeakPolarHBondContact O-CD1 3.24Å
86	Y	90.2	Very high	78.2	Confident	73 Å²	73	71.9 Å²	71.9	29%	0.286	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.2	-179.9	-62.3	-83.3	0	0	0	110.3	W28 I29 Q31 T84	W28-Y86 WeakPolarHBondContact CA-O 3.38Å; I29-Y86 PolarHBondContact N-O 2.99Å; I29-Y86 PolarHBondContact O-N 2.95Å; Q31-Y86 HydrophobicContact CB-CD2 4.29Å; Q31-Y86 HydrophobicContact CB-CE2 3.71Å; Q31-Y86 PolarHBondContact OE1-OH 2.81Å; T84-Y86 HydrophobicContact CG2-CD2 4.47Å; T84-Y86 HydrophobicContact CG2-CE1 4.12Å; T84-Y86 HydrophobicContact CG2-CE2 3.67Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.46Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.12Å
87	C	90.8	Very high	76.3	Confident	4 Å²	4	71.3 Å²	71.3	3%	0.027	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	145.3	156.5	66.3	0	0	0	0	109.6	C14 N27 W28 F70 L102	C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.42Å; C14-C87 WeakPolarHBondContact SG-CB 3.36Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.08Å; N27-C87 CarbonylContact O-C 3.6Å; N27-C87 VanDerWaalsContact O-CA 3.24Å; N27-C87 WeakPolarHBondContact O-CA 3.38Å; W28-C87 HydrophobicContact CH2-CB 4.48Å; W28-C87 HydrophobicContact CZ3-CB 4.44Å; F70-C87 HydrophobicContact CD1-CB 4.11Å; C87-L102 HydrophobicContact CB-CD2 3.99Å; C87-L102 WeakPolarHBondContact SG-CD2 3.43Å
88	A	88.4	Confident	74.6	Confident	13 Å²	13	72.7 Å²	72.7	11%	0.107	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	131.9	177.1	0	0	0	0	0	111.4	N27 I29	N27-A88 PolarHBondContact N-O 2.8Å; N27-A88 PolarHBondContact ND2-O 3.09Å; N27-A88 PolarHBondContact O-N 3Å; I29-A88 HydrophobicContact CD1-CB 4.05Å
89	R	86	Confident	72.7	Confident	67 Å²	67	77.7 Å²	77.7	25%	0.253	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126	169.1	-169.1	178.5	170.6	-151.2	-5	109.3	D19 S23 Y25 W26 V91	D19-R89 VanDerWaalsContact CG-NH1 3.31Å; D19-R89 IonicContact OD1-CZ 3.79Å; D19-R89 IonicContact OD1-NH1 2.67Å; D19-R89 PolarHBondContact OD1-NH1 3.1Å; D19-R89 WeakPolarHBondContact OD2-CD 3.34Å; D19-R89 IonicContact OD2-CZ 3.31Å; D19-R89 VanDerWaalsContact OD2-CZ 3.31Å; D19-R89 IonicContact OD2-NE 3.41Å; D19-R89 PolarHBondContact OD2-NE 3.17Å; D19-R89 IonicContact OD2-NH1 3.52Å; D19-R89 PolarHBondContact OD2-NH1 2.85Å; S23-R89 PolarHBondContact O-NH2 2.95Å; S23-R89 PolarHBondContact OG-NE 3.05Å; S23-R89 PolarHBondContact OG-NH2 2.77Å; Y25-R89 CarbonylContact O-C 3.53Å; Y25-R89 WeakPolarHBondContact O-CA 3.38Å; W26-R89 HydrophobicContact CD2-CB 4.12Å; W26-R89 HydrophobicContact CD2-CG 4.36Å; W26-R89 HydrophobicContact CE3-CB 4.1Å; W26-R89 HydrophobicContact CH2-CB 3.8Å; W26-R89 HydrophobicContact CH2-CG 4.44Å; W26-R89 HydrophobicContact CZ2-CB 3.81Å; W26-R89 HydrophobicContact CZ2-CG 3.94Å; W26-R89 HydrophobicContact CZ3-CB 3.95Å; R89-V91 HydrophobicContact CG-CG1 4.18Å
90	A	76.4	Confident	70.7	Confident	36 Å²	36	74.4 Å²	74.4	30%	0.298	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.3	164.6	0	0	0	0	0	108.8	Y25	Y25-A90 PolarHBondContact O-N 3.26Å
91	V	61.4	Low	68.6	Low	39 Å²	39	72.5 Å²	72.5	24%	0.236	44%	0.438	C	S	.	.			trans	-105.2	84.1	175.3	-82.3	0	0	0	0	108.4	R89 T95	R89-V91 HydrophobicContact CG-CG1 4.18Å; V91-T95 WeakPolarHBondContact CG2-OG1 3.48Å; V91-T95 PolarHBondContact O-OG1 3.12Å
92	D	53.3	Low	66.8	Low	124 Å²	124	73.5 Å²	73.5	66%	0.663	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	163.6	-178	-89.2	-60.6	0	0	0	116.9	L94	D92-L94 PolarHBondContact O-N 3.38Å
93	P	46.4	Very low	64.7	Low	128 Å²	128	73.5 Å²	73.5	83%	0.831	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-11.7	173.5	-19.5	33	0	0	0	114.1
94	L	51.4	Low	62.2	Low	165 Å²	165	78.4 Å²	78.4	86%	0.864	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-10.5	-169.7	-66	175	0	0	0	114.4	D92	D92-L94 PolarHBondContact O-N 3.38Å
95	T	46.9	Very low	59.2	Low	82 Å²	82	80.1 Å²	80.1	50%	0.503	48%	0.478	S	S	.	.	S	Bend	trans	-123.8	126.9	175.8	67.4	0	0	0	0	112.2	V91 G97	V91-T95 WeakPolarHBondContact CG2-OG1 3.48Å; V91-T95 PolarHBondContact O-OG1 3.12Å; T95-G97 PolarHBondContact O-N 3.45Å
96	T	48	Very low	56.2	Low	146 Å²	146	84.8 Å²	84.8	90%	0.896	51%	0.51	S	S	*	.			trans	-50.9	109	179.6	33.1	0	0	0	0	111.6	A98	T96-A98 PolarHBondContact O-N 3.04Å
97	G	52	Low	53.6	Low	46 Å²	46	94 Å²	94	47%	0.474	56%	0.556	S	S	.	*			trans	-61.5	127.7	-175.1	0	0	0	0	0	113.4	T95 K99	T95-G97 PolarHBondContact O-N 3.45Å; G97-K99 PolarHBondContact O-N 3.5Å
98	A	54.2	Low	51.7	Low	76 Å²	76	98.5 Å²	98.5	63%	0.628	58%	0.582	S	S	*	*			trans	-70.2	120.2	174.7	0	0	0	0	0	110.7	T96 A100	T96-A98 PolarHBondContact O-N 3.04Å; A98-A100 PolarHBondContact O-N 3.11Å
99	K	49	Very low	49.8	Very low	159 Å²	159	102.9 Å²	102.9	69%	0.691	61%	0.607	S	S	*	*			trans	-81.3	107.8	169.1	-66.8	-174.7	-179.8	-175.6	0	109.1	G97	G97-K99 PolarHBondContact O-N 3.5Å
100	A	48.8	Very low	47.8	Very low	49 Å²	49	104.9 Å²	104.9	41%	0.405	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-82	131.5	165.6	0	0	0	0	0	109.3	A98	A98-A100 PolarHBondContact O-N 3.11Å
101	P	43.9	Very low	46.1	Very low	114 Å²	114	109 Å²	109	74%	0.74	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-65.6	140.1	167.4	28.2	-32.6	0	0	0	109.6	S103	P101-S103 PolarHBondContact O-N 2.86Å
102	L	51	Low	45.1	Very low	27 Å²	27	113.4 Å²	113.4	14%	0.141	67%	0.672	C	S	.	*	P	Polyproline II helix	trans	-64.4	126.8	171.7	-75.6	176	0	0	0	109.9	C14 W28 Y85 C87 Q104	C14-L102 HydrophobicContact CB-CD2 3.52Å; W28-L102 HydrophobicContact CH2-CD1 4.39Å; W28-L102 HydrophobicContact CH2-CD2 4.13Å; W28-L102 HydrophobicContact CZ3-CD1 3.89Å; W28-L102 HydrophobicContact CZ3-CD2 4.21Å; Y85-L102 WeakPolarHBondContact O-CD1 3.24Å; C87-L102 HydrophobicContact CB-CD2 3.99Å; C87-L102 WeakPolarHBondContact SG-CD2 3.43Å; L102-Q104 HydrophobicContact CB-CG 4.03Å; L102-Q104 PolarHBondContact O-N 2.71Å
103	S	44	Very low	44.6	Very low	93 Å²	93	112.7 Å²	112.7	65%	0.65	67%	0.672	S	S	*	*			trans	-69.7	86.3	150.2	-174.1	0	0	0	0	107.5	P101 S105	P101-S103 PolarHBondContact O-N 2.86Å; S103-S105 PolarHBondContact O-N 2.6Å
104	Q	38.5	Very low	44.5	Very low	128 Å²	128	111.6 Å²	111.6	60%	0.598	66%	0.661	S	S	*	*			trans	-63.9	106.4	170.9	-67.6	-176.9	2.6	0	0	107.4	L102 P106	L102-Q104 HydrophobicContact CB-CG 4.03Å; L102-Q104 PolarHBondContact O-N 2.71Å; Q104-P106 VanDerWaalsContact O-CD 3.22Å; Q104-P106 WeakPolarHBondContact O-CD 3.37Å
105	S	29.1	Very low	43.9	Very low	98 Å²	98	107.5 Å²	107.5	69%	0.685	65%	0.645	S	S	*	*			trans	-76.2	114.7	167.2	-164.9	0	0	0	0	107.4	S103	S103-S105 PolarHBondContact O-N 2.6Å
106	P	31.6	Very low	43.7	Very low	114 Å²	114	109.6 Å²	109.6	74%	0.74	66%	0.657	S	S	*	*			trans	-65.8	139.7	166.6	29.5	-32.6	0	0	0	108.7	Q104	Q104-P106 VanDerWaalsContact O-CD 3.22Å; Q104-P106 WeakPolarHBondContact O-CD 3.37Å
107	Q	34.2	Very low	43.3	Very low	265 Å²	265	106.3 Å²	106.3	100%	1.238	64%	0.636	S	S	*	*			trans	-106.1	0	149.2	-77.9	-128.5	-101.3	0	0	107.1

Retrieved 107 of 107 residues in 33.2 ms (Link to these results)

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