X5J5K4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5K4, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 113 aa.

						>X5J5K4_MOUSE|X5J5K4|Ighv7-3
GGLVQPGGSLRLSCATSGFTFTDYYMSWVRQPPGKALEWLGFIRNKANGYTTEYSASVKGRFTISRDNSQSILYLQMNTLRAEDSATYYCARDMREGYAMDYWGQGTSVTVSS
					

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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	G	59.9	Low	88.6	Confident	85 Å²	85	70.9 Å²	70.9	88%	0.876	45%	0.454	S	S	*	.				0	172.8	0	0	0	0	0	0	110.6	T107 S108	G1-T107 VanDerWaalsContact CA-OG1 3.23Å; G1-T107 WeakPolarHBondContact CA-OG1 3.4Å; G1-T107 PolarHBondContact N-OG1 2.85Å; G1-S108 CarbonylContact C-O 3.6Å; G1-S108 WeakPolarHBondContact CA-O 3.37Å
2	G	82.2	Confident	89.4	Confident	22 Å²	22	66 Å²	66	23%	0.227	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	140.6	-179.9	0	0	0	0	0	112	S108 T110	G2-S108 PolarHBondContact N-O 3.24Å; G2-T110 PolarHBondContact O-N 2.86Å
3	L	87.3	Confident	90	Very high	129 Å²	129	67 Å²	67	68%	0.675	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.2	166.6	178.6	64.9	0	0	0	107.9	T110 S112	L3-T110 WeakPolarHBondContact CA-O 3.5Å; L3-T110 HydrophobicContact CD1-CG2 3.95Å; L3-S112 WeakPolarHBondContact CD1-OG 3.41Å
4	V	89.9	Confident	90.5	Very high	22 Å²	22	63.2 Å²	63.2	13%	0.133	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.3	-177	-169.6	0	0	0	0	109.3	L10 L80 T110 V111 S112	V4-L10 HydrophobicContact CG2-CB 4.19Å; V4-L10 HydrophobicContact CG2-CD1 4.44Å; V4-L10 HydrophobicContact CG2-CD2 4.23Å; V4-L80 HydrophobicContact CB-CD1 4.17Å; V4-L80 HydrophobicContact CG1-CD1 4.04Å; V4-L80 HydrophobicContact CG2-CD1 4.31Å; V4-T110 PolarHBondContact N-O 3.29Å; V4-V111 VanDerWaalsContact O-CA 3.24Å; V4-V111 WeakPolarHBondContact O-CA 3.43Å; V4-S112 PolarHBondContact O-N 2.64Å
5	Q	90.4	Very high	90.8	Very high	130 Å²	130	64.2 Å²	64.2	61%	0.607	42%	0.423	S	S	*	.			trans	-74.2	151.3	173	-70.8	-174.8	-22	0	0	111.3	G7 G8	Q5-G7 PolarHBondContact O-N 3.27Å; Q5-G8 PolarHBondContact O-N 3.04Å
6	P	92.1	Very high	90.7	Very high	74 Å²	74	61.1 Å²	61.1	48%	0.481	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	139.1	171.5	-25.5	33.8	0	0	0	112.3	G8 V111	P6-G8 PolarHBondContact O-N 3.18Å; P6-V111 HydrophobicContact CB-CG1 4.44Å; P6-V111 HydrophobicContact CG-CG1 4.14Å
7	G	91.4	Very high	90.6	Very high	55 Å²	55	62.5 Å²	62.5	57%	0.567	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-14.3	-174.2	0	0	0	0	0	114.4	Q5 L80	Q5-G7 PolarHBondContact O-N 3.27Å; G7-L80 PolarHBondContact N-O 3.21Å
8	G	93.3	Very high	90.5	Very high	24 Å²	24	63.7 Å²	63.7	25%	0.247	44%	0.439	C	S	.	.			trans	-69.7	176.3	176.9	0	0	0	0	0	114	Q5 P6 T79 L80	Q5-G8 PolarHBondContact O-N 3.04Å; P6-G8 PolarHBondContact O-N 3.18Å; G8-T79 PolarHBondContact O-N 2.96Å; G8-L80 WeakPolarHBondContact O-CB 3.14Å; G8-L80 PolarHBondContact O-N 2.79Å
9	S	95.6	Very high	90.4	Very high	67 Å²	67	62.1 Å²	62.1	47%	0.469	42%	0.423	S	S	.	.			trans	-127.8	148.2	178	-60.7	0	0	0	0	111.3	M77 N78	S9-M77 CarbonylContact C-O 3.6Å; S9-M77 WeakPolarHBondContact CA-O 3.34Å; S9-M77 WeakPolarHBondContact CB-O 3.45Å; S9-N78 WeakPolarHBondContact OG-CA 3.25Å; S9-N78 PolarHBondContact OG-OD1 3.03Å
10	L	95.7	Very high	90.5	Very high	40 Å²	40	63.1 Å²	63.1	21%	0.209	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	151	176.2	-176.1	63.8	0	0	0	109.5	V4 L12 M77 L80 V109	V4-L10 HydrophobicContact CG2-CB 4.19Å; V4-L10 HydrophobicContact CG2-CD1 4.44Å; V4-L10 HydrophobicContact CG2-CD2 4.23Å; L10-L12 HydrophobicContact CD2-CD2 3.68Å; L10-L12 HydrophobicContact CG-CD2 4.14Å; L10-M77 PolarHBondContact N-O 2.82Å; L10-M77 WeakPolarHBondContact O-CB 3.34Å; L10-M77 PolarHBondContact O-N 2.99Å; L10-L80 HydrophobicContact CB-CD1 3.95Å; L10-V109 HydrophobicContact CD2-CG1 4Å; L10-V109 HydrophobicContact CD2-CG2 3.86Å
11	R	97.2	Very high	90.6	Very high	132 Å²	132	60.2 Å²	60.2	50%	0.498	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.7	168.6	-168.5	174.5	175.6	-178.6	-2.4	109.7	Y74 L75	R11-Y74 HydrophobicContact CG-CD1 4.44Å; R11-Y74 VanDerWaalsContact NE-CD1 3.34Å; R11-Y74 VanDerWaalsContact NH2-CD2 3.26Å; R11-L75 WeakPolarHBondContact CA-O 3.5Å
12	L	97.7	Very high	92.2	Very high	12 Å²	12	58.8 Å²	58.8	6%	0.063	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	147.6	169.3	-55.8	-177.6	0	0	0	109.8	L10 W28 Y74 L75 M77 Y88 T107 V109	L10-L12 HydrophobicContact CD2-CD2 3.68Å; L10-L12 HydrophobicContact CG-CD2 4.14Å; L12-W28 HydrophobicContact CB-CH2 3.74Å; L12-W28 HydrophobicContact CB-CZ2 4.21Å; L12-W28 HydrophobicContact CB-CZ3 4.27Å; L12-W28 HydrophobicContact CD1-CH2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 4.11Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.41Å; L12-L75 HydrophobicContact CB-CB 4.28Å; L12-L75 HydrophobicContact CD1-CD2 4.41Å; L12-L75 PolarHBondContact N-O 2.9Å; L12-L75 PolarHBondContact O-N 3.3Å; L12-M77 HydrophobicContact CD1-SD 3.67Å; L12-M77 HydrophobicContact CG-SD 3.8Å; L12-Y88 HydrophobicContact CD1-CD1 3.9Å; L12-Y88 HydrophobicContact CD1-CD2 4.29Å; L12-Y88 HydrophobicContact CD1-CG 3.68Å; L12-T107 HydrophobicContact CD1-CG2 3.93Å; L12-T107 HydrophobicContact CD2-CG2 4Å; L12-T107 HydrophobicContact CG-CG2 4.48Å; L12-V109 HydrophobicContact CD1-CG2 4.1Å; L12-V109 HydrophobicContact CD2-CG2 3.92Å
13	S	97.3	Very high	92.7	Very high	79 Å²	79	60.6 Å²	60.6	55%	0.552	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.6	170.1	58.8	0	0	0	0	109.8	L73	S13-L73 CarbonylContact C-O 3.53Å; S13-L73 WeakPolarHBondContact CA-O 3.43Å
14	C	96.4	Very high	92.9	Very high	14 Å²	14	57.7 Å²	57.7	10%	0.095	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	106	172.4	164.2	0	0	0	0	108.4	W28 I72 L73 C90	C14-W28 HydrophobicContact CB-CH2 3.94Å; C14-W28 HydrophobicContact CB-CZ2 4.1Å; C14-I72 CarbonylContact O-C 3.47Å; C14-I72 WeakPolarHBondContact O-CA 3.48Å; C14-L73 HydrophobicContact CB-CB 4.37Å; C14-L73 PolarHBondContact N-O 3.11Å; C14-L73 PolarHBondContact O-N 3.08Å; C14-C90 HydrophobicContact CB-CB 3.42Å; C14-C90 VanDerWaalsContact CB-CB 3.42Å; C14-C90 WeakPolarHBondContact CB-SG 3.35Å; C14-C90 WeakPolarHBondContact SG-CB 3.31Å; C14-C90 CovalentContact SG-SG 2.01Å; C14-C90 PolarHBondContact SG-SG 2.9Å
15	A	94.9	Very high	93.1	Very high	78 Å²	78	58 Å²	58	65%	0.645	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	135.4	169.2	0	0	0	0	0	109.3	I72	A15-I72 HydrophobicContact CB-CG1 4.14Å
16	T	89.7	Confident	93.3	Very high	15 Å²	15	51.9 Å²	51.9	9%	0.092	34%	0.337	C	S	.	.			trans	-120.5	151.5	-177.8	60.9	0	0	0	0	110.9	F19 F21 M26 S71	T16-F19 HydrophobicContact CG2-CE1 4.46Å; T16-F19 HydrophobicContact CG2-CZ 4.1Å; T16-F21 HydrophobicContact CG2-CD2 4.37Å; T16-F21 HydrophobicContact CG2-CE2 4.41Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.48Å; T16-M26 HydrophobicContact CG2-CE 3.99Å; T16-S71 PolarHBondContact N-O 3.21Å; T16-S71 PolarHBondContact OG1-O 2.84Å
17	S	89.7	Confident	93.5	Very high	84 Å²	84	48.3 Å²	48.3	59%	0.587	31%	0.314	S	S	*	.			trans	-148.6	167.5	175.9	61.3	0	0	0	0	109.4	F19 Y102	S17-F19 WeakPolarHBondContact O-CD1 3.33Å; S17-Y102 PolarHBondContact O-OH 2.76Å
18	G	88.1	Confident	93.8	Very high	85 Å²	85	45.9 Å²	45.9	88%	0.876	29%	0.288	S	S	*	.	S	Bend	trans	85.3	2.6	178	0	0	0	0	0	115.6
19	F	89.2	Confident	94	Very high	33 Å²	33	44.9 Å²	44.9	15%	0.145	28%	0.277	C	S	.	.	S	Bend	trans	-155.5	163.7	170.8	62.5	-85	0	0	0	111.5	T16 S17 F21 Y24 M26 R92 Y102	T16-F19 HydrophobicContact CG2-CE1 4.46Å; T16-F19 HydrophobicContact CG2-CZ 4.1Å; S17-F19 WeakPolarHBondContact O-CD1 3.33Å; F19-F21 HydrophobicContact CE2-CB 4.36Å; F19-F21 HydrophobicContact CE2-CD2 4.22Å; F19-F21 HydrophobicContact CZ-CD2 4.43Å; F19-F21 PolarHBondContact O-N 2.76Å; F19-Y24 HydrophobicContact CB-CE2 4.3Å; F19-Y24 AromaticContact CD2-CD2 3.62Å; F19-Y24 HydrophobicContact CD2-CD2 3.62Å; F19-Y24 HydrophobicContact CD2-CE2 4.02Å; F19-Y24 HydrophobicContact CD2-CG 4.42Å; F19-Y24 HydrophobicContact CE2-CD2 4.2Å; F19-M26 HydrophobicContact CE2-SD 4.04Å; F19-M26 HydrophobicContact CZ-CE 4.16Å; F19-M26 HydrophobicContact CZ-SD 4.08Å; F19-R92 HydrophobicContact CE2-CG 4.16Å; F19-R92 HydrophobicContact CZ-CB 4.31Å; F19-R92 HydrophobicContact CZ-CG 4.4Å; F19-Y102 HydrophobicContact CD1-CD1 4.46Å; F19-Y102 HydrophobicContact CD1-CD2 4.32Å; F19-Y102 HydrophobicContact CD1-CE2 4.45Å; F19-Y102 HydrophobicContact CD1-CG 4.32Å; F19-Y102 AromaticContact CE1-CD1 3.62Å; F19-Y102 HydrophobicContact CE1-CD1 3.62Å; F19-Y102 HydrophobicContact CE1-CD2 4.26Å; F19-Y102 AromaticContact CE1-CE1 3.75Å; F19-Y102 HydrophobicContact CE1-CE1 3.75Å; F19-Y102 HydrophobicContact CE1-CE2 4.35Å; F19-Y102 AromaticContact CE1-CG 3.9Å; F19-Y102 HydrophobicContact CE1-CG 3.9Å; F19-Y102 HydrophobicContact CZ-CD1 4.33Å
20	T	92.3	Very high	94.1	Very high	82 Å²	82	42.3 Å²	42.3	50%	0.503	26%	0.257	S	S	.	.			trans	-74.4	89.3	175.8	-49.8	0	0	0	0	110.3	T22 D23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3.24Å; T20-T22 PolarHBondContact O-N 2.82Å; T20-D23 WeakPolarHBondContact CB-OD2 3.48Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.38Å; T20-D23 PolarHBondContact O-N 2.79Å; T20-Y24 WeakPolarHBondContact O-CD2 3.41Å
21	F	92.8	Very high	94.2	Very high	2 Å²	2	44 Å²	44	1%	0.009	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-47.8	-38.4	-175.4	178.7	-104.2	0	0	0	113.8	T16 F19 D23 Y24 M26 R66 N68 L73	T16-F21 HydrophobicContact CG2-CD2 4.37Å; T16-F21 HydrophobicContact CG2-CE2 4.41Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.48Å; F19-F21 HydrophobicContact CE2-CB 4.36Å; F19-F21 HydrophobicContact CE2-CD2 4.22Å; F19-F21 HydrophobicContact CZ-CD2 4.43Å; F19-F21 PolarHBondContact O-N 2.76Å; F21-D23 PolarHBondContact O-N 2.89Å; F21-Y24 PolarHBondContact O-N 2.99Å; F21-M26 HydrophobicContact CD2-CE 4.36Å; F21-M26 HydrophobicContact CD2-CG 4.13Å; F21-M26 HydrophobicContact CD2-SD 3.94Å; F21-M26 HydrophobicContact CE2-CE 4Å; F21-M26 HydrophobicContact CE2-CG 3.53Å; F21-M26 HydrophobicContact CE2-SD 3.82Å; F21-M26 HydrophobicContact CZ-CG 4.07Å; F21-R66 HydrophobicContact CE1-CB 4.1Å; F21-R66 HydrophobicContact CZ-CB 4.01Å; F21-R66 PolarHBondContact O-NH2 2.78Å; F21-N68 WeakPolarHBondContact CD1-OD1 3.21Å; F21-N68 VanDerWaalsContact CE1-OD1 3.27Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.38Å; F21-L73 HydrophobicContact CE2-CB 4.44Å; F21-L73 HydrophobicContact CZ-CB 4.39Å
22	T	93.7	Very high	94.2	Very high	55 Å²	55	38.5 Å²	38.5	34%	0.337	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-64.1	-20.5	-178.3	57.8	0	0	0	0	114.5	T20 N45 N68	T20-T22 WeakPolarHBondContact CG2-OG1 3.24Å; T20-T22 PolarHBondContact O-N 2.82Å; T22-N45 VanDerWaalsContact O-CB 3.31Å; T22-N45 WeakPolarHBondContact O-CB 3.08Å; T22-N68 HydrophobicContact CG2-CB 3.76Å
23	D	91.6	Very high	94	Very high	60 Å²	60	43.2 Å²	43.2	32%	0.321	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-86.4	-21.9	-175.9	-71	-33.1	0	0	0	113.5	T20 F21 N45 R95	T20-D23 WeakPolarHBondContact CB-OD2 3.48Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.38Å; T20-D23 PolarHBondContact O-N 2.79Å; F21-D23 PolarHBondContact O-N 2.89Å; D23-N45 PolarHBondContact O-ND2 3.19Å; D23-R95 PolarHBondContact O-NE 3.31Å; D23-R95 IonicContact OD1-NH2 3.18Å; D23-R95 PolarHBondContact OD1-NH2 2.9Å
24	Y	92.4	Very high	94	Very high	69 Å²	69	43.9 Å²	43.9	27%	0.271	30%	0.296	S	S	.	.	S	Bend	trans	-106.9	157.5	-170.8	-62.7	-87.4	0	0	0	112.8	F19 T20 F21 R66 R92	F19-Y24 HydrophobicContact CB-CE2 4.3Å; F19-Y24 AromaticContact CD2-CD2 3.62Å; F19-Y24 HydrophobicContact CD2-CD2 3.62Å; F19-Y24 HydrophobicContact CD2-CE2 4.02Å; F19-Y24 HydrophobicContact CD2-CG 4.42Å; F19-Y24 HydrophobicContact CE2-CD2 4.2Å; T20-Y24 WeakPolarHBondContact O-CD2 3.41Å; F21-Y24 PolarHBondContact O-N 2.99Å; Y24-R66 PolarHBondContact O-NH1 3.06Å; Y24-R92 HydrophobicContact CD1-CG 3.84Å; Y24-R92 HydrophobicContact CD2-CG 4.47Å; Y24-R92 HydrophobicContact CG-CG 3.74Å
25	Y	94	Very high	94	Very high	28 Å²	28	50 Å²	50	11%	0.11	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	156.5	164.3	-54.2	-13.1	0	0	0	108.4	I43 R44 N45 N48 D93	Y25-I43 WeakPolarHBondContact CA-O 3.01Å; Y25-R44 VanDerWaalsContact CD1-CA 3.42Å; Y25-R44 HydrophobicContact CD1-CB 3.77Å; Y25-R44 HydrophobicContact CD1-CG 4.17Å; Y25-R44 HydrophobicContact CD2-CG 4.14Å; Y25-R44 HydrophobicContact CE1-CB 3.63Å; Y25-R44 HydrophobicContact CE1-CG 3.97Å; Y25-R44 HydrophobicContact CE2-CG 3.98Å; Y25-R44 HydrophobicContact CG-CB 4.27Å; Y25-R44 HydrophobicContact CG-CG 4.23Å; Y25-N45 HydrophobicContact CD1-CB 4.16Å; Y25-N45 VanDerWaalsContact CD1-N 3.25Å; Y25-N45 HydrophobicContact CE1-CB 4.31Å; Y25-N48 HydrophobicContact CE1-CB 4.21Å; Y25-N48 PolarHBondContact OH-ND2 3.02Å; Y25-N48 PolarHBondContact OH-OD1 3.06Å; Y25-D93 PolarHBondContact O-N 2.89Å
26	M	95.1	Very high	94	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.6	-175.2	-61.3	-60.9	-54	0	0	109.4	T16 F19 F21 F42 I43 L73 A91 R92	T16-M26 HydrophobicContact CG2-CE 3.99Å; F19-M26 HydrophobicContact CE2-SD 4.04Å; F19-M26 HydrophobicContact CZ-CE 4.16Å; F19-M26 HydrophobicContact CZ-SD 4.08Å; F21-M26 HydrophobicContact CD2-CE 4.36Å; F21-M26 HydrophobicContact CD2-CG 4.13Å; F21-M26 HydrophobicContact CD2-SD 3.94Å; F21-M26 HydrophobicContact CE2-CE 4Å; F21-M26 HydrophobicContact CE2-CG 3.53Å; F21-M26 HydrophobicContact CE2-SD 3.82Å; F21-M26 HydrophobicContact CZ-CG 4.07Å; M26-F42 CarbonylContact O-C 3.59Å; M26-F42 VanDerWaalsContact O-CA 3.22Å; M26-F42 WeakPolarHBondContact O-CA 3.23Å; M26-F42 WeakPolarHBondContact O-CB 2.8Å; M26-I43 HydrophobicContact CB-CG2 4.24Å; M26-I43 PolarHBondContact N-O 2.97Å; M26-I43 VanDerWaalsContact N-O 3.13Å; M26-I43 PolarHBondContact O-N 2.91Å; M26-L73 HydrophobicContact CB-CD1 3.6Å; M26-L73 HydrophobicContact CB-CD2 3.78Å; M26-L73 HydrophobicContact CB-CG 4.21Å; M26-L73 HydrophobicContact CG-CD1 4.41Å; M26-A91 CarbonylContact C-O 3.45Å; M26-A91 WeakPolarHBondContact CA-O 3.43Å; M26-A91 WeakPolarHBondContact CE-O 3.12Å; M26-R92 HydrophobicContact CE-CB 4.48Å; M26-R92 HydrophobicContact SD-CB 4.24Å; M26-R92 HydrophobicContact SD-CG 4.35Å
27	S	95.7	Very high	94.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.8	-178	-87	0	0	0	0	112	W39 G41 F42 C90 A91 D93	S27-W39 PolarHBondContact OG-NE1 3.25Å; S27-G41 CarbonylContact C-O 3.53Å; S27-G41 WeakPolarHBondContact CA-O 3.24Å; S27-F42 WeakPolarHBondContact OG-CB 3.31Å; S27-C90 CarbonylContact O-C 3.52Å; S27-C90 WeakPolarHBondContact O-CA 3.35Å; S27-A91 PolarHBondContact N-O 2.9Å; S27-A91 PolarHBondContact O-N 2.84Å; S27-D93 WeakPolarHBondContact CB-OD2 3.46Å; S27-D93 VanDerWaalsContact OG-CG 3.29Å; S27-D93 PolarHBondContact OG-OD1 3.11Å; S27-D93 PolarHBondContact OG-OD2 3.23Å
28	W	97.5	Very high	94.6	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.015	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.8	159.7	-77.9	96.5	0	0	0	109.6	L12 C14 L40 G41 L73 Y74 L75 Y89 C90	L12-W28 HydrophobicContact CB-CH2 3.74Å; L12-W28 HydrophobicContact CB-CZ2 4.21Å; L12-W28 HydrophobicContact CB-CZ3 4.27Å; L12-W28 HydrophobicContact CD1-CH2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 4.11Å; C14-W28 HydrophobicContact CB-CH2 3.94Å; C14-W28 HydrophobicContact CB-CZ2 4.1Å; W28-L40 HydrophobicContact CB-CB 4.29Å; W28-L40 HydrophobicContact CB-CD1 4.49Å; W28-L40 WeakPolarHBondContact O-CB 3.42Å; W28-L40 PolarHBondContact O-N 2.84Å; W28-G41 PolarHBondContact N-O 2.87Å; W28-L73 HydrophobicContact CD2-CD2 4.34Å; W28-L73 HydrophobicContact CG-CD2 4.31Å; W28-L73 HydrophobicContact CZ2-CD2 4.27Å; W28-L73 HydrophobicContact CZ2-CG 4.37Å; W28-Y74 PolarHBondContact NE1-O 2.83Å; W28-L75 HydrophobicContact CB-CD2 4.35Å; W28-L75 HydrophobicContact CD2-CB 3.89Å; W28-L75 HydrophobicContact CD2-CD2 4.06Å; W28-L75 HydrophobicContact CD2-CG 4.46Å; W28-L75 HydrophobicContact CE3-CD2 4.31Å; W28-L75 HydrophobicContact CG-CB 4.14Å; W28-L75 HydrophobicContact CG-CD1 4.16Å; W28-L75 HydrophobicContact CG-CD2 4.07Å; W28-L75 HydrophobicContact CG-CG 4.37Å; W28-L75 HydrophobicContact CZ2-CB 3.94Å; W28-Y89 WeakPolarHBondContact CA-O 3.49Å; W28-Y89 VanDerWaalsContact CE3-O 3.31Å; W28-C90 HydrophobicContact CE3-CB 4.48Å; W28-C90 HydrophobicContact CH2-CB 4.38Å; W28-C90 HydrophobicContact CZ3-CB 4.36Å
29	V	97.2	Very high	95	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.5	177.7	-176.7	0	0	0	0	107.3	L37 E38 Y88 Y89 M100 W103	V29-L37 HydrophobicContact CG1-CB 3.91Å; V29-L37 HydrophobicContact CG1-CD2 3.75Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 WeakPolarHBondContact CG1-O 3.13Å; V29-Y88 CarbonylContact O-C 3.48Å; V29-Y89 PolarHBondContact N-O 2.82Å; V29-Y89 PolarHBondContact O-N 3.05Å; V29-M100 HydrophobicContact CG2-CE 4.17Å; V29-M100 HydrophobicContact CG2-SD 3.81Å; V29-W103 HydrophobicContact CB-CH2 4.05Å; V29-W103 HydrophobicContact CB-CZ3 3.75Å; V29-W103 HydrophobicContact CG1-CH2 3.93Å; V29-W103 HydrophobicContact CG1-CZ3 3.87Å; V29-W103 HydrophobicContact CG2-CH2 3.78Å; V29-W103 HydrophobicContact CG2-CZ3 3.88Å
30	R	97.6	Very high	95.4	Very high	13 Å²	13	51.2 Å²	51.2	5%	0.049	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	155.5	171.4	71.6	175	177.1	-164.3	-4	111.9	L37 E38 L40 D84 A86 T87 Y88	R30-L37 WeakPolarHBondContact O-CA 3.32Å; R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE1 2.7Å; R30-E38 IonicContact CZ-OE2 3.99Å; R30-E38 VanDerWaalsContact CZ-OE2 3.23Å; R30-E38 PolarHBondContact N-O 2.89Å; R30-E38 IonicContact NE-OE1 2.91Å; R30-E38 IonicContact NE-OE2 3.38Å; R30-E38 PolarHBondContact NE-OE2 3.44Å; R30-E38 IonicContact NH2-OE1 3.5Å; R30-E38 PolarHBondContact NH2-OE1 3.12Å; R30-E38 IonicContact NH2-OE2 2.84Å; R30-E38 PolarHBondContact NH2-OE2 2.61Å; R30-E38 PolarHBondContact O-N 2.85Å; R30-L40 HydrophobicContact CB-CD1 4.07Å; R30-L40 HydrophobicContact CB-CG 4.39Å; R30-L40 HydrophobicContact CG-CD1 4.15Å; R30-L40 HydrophobicContact CG-CD2 3.8Å; R30-L40 HydrophobicContact CG-CG 4.1Å; R30-D84 IonicContact CZ-OD1 3.23Å; R30-D84 IonicContact NH1-OD1 2.84Å; R30-D84 PolarHBondContact NH1-OD1 2.85Å; R30-A86 HydrophobicContact CB-CB 3.87Å; R30-A86 HydrophobicContact CG-CB 4.23Å; R30-T87 CarbonylContact C-O 3.46Å; R30-T87 VanDerWaalsContact CA-O 3.24Å; R30-T87 WeakPolarHBondContact CA-O 3.5Å; R30-Y88 HydrophobicContact CB-CD1 4.05Å; R30-Y88 HydrophobicContact CB-CD2 4.5Å; R30-Y88 HydrophobicContact CB-CE1 4.07Å; R30-Y88 HydrophobicContact CB-CE2 4.47Å; R30-Y88 HydrophobicContact CB-CG 4.28Å
31	Q	97.9	Very high	95.5	Very high	74 Å²	74	47.3 Å²	47.3	35%	0.346	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	103.6	171.3	-168.3	178.1	26.5	0	0	109.4	K35 L37 A86 T87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.34Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 4.3Å; Q31-A86 WeakPolarHBondContact O-CA 3.33Å; Q31-A86 WeakPolarHBondContact O-CB 3.37Å; Q31-T87 PolarHBondContact N-O 3.2Å; Q31-T87 PolarHBondContact O-N 3.17Å; Q31-Y89 HydrophobicContact CB-CE2 3.79Å; Q31-Y89 PolarHBondContact OE1-OH 2.77Å
32	P	96.8	Very high	95.7	Very high	17 Å²	17	48.5 Å²	48.5	11%	0.11	28%	0.275	C	S	.	.			trans	-65.4	152.3	169.8	-17.4	30.7	0	0	0	110.8	G34 K35 A86	P32-G34 PolarHBondContact O-N 3.49Å; P32-K35 HydrophobicContact CB-CB 4.04Å; P32-K35 HydrophobicContact CB-CD 3.98Å; P32-K35 HydrophobicContact CB-CG 4.2Å; P32-K35 HydrophobicContact CG-CB 4.26Å; P32-K35 HydrophobicContact CG-CD 4.28Å; P32-K35 PolarHBondContact O-N 2.89Å; P32-A86 HydrophobicContact CG-CB 4.45Å
33	P	94.9	Very high	95.8	Very high	111 Å²	111	46.4 Å²	46.4	72%	0.721	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	126.4	178.3	-25.3	34.2	0	0	0	112.1	K35	P33-K35 PolarHBondContact O-N 3.17Å
34	G	96.1	Very high	95.9	Very high	94 Å²	94	46.6 Å²	46.6	97%	0.969	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	11.3	179.6	0	0	0	0	0	115.4	P32	P32-G34 PolarHBondContact O-N 3.49Å
35	K	96.3	Very high	96	Very high	143 Å²	143	43.3 Å²	43.3	62%	0.622	25%	0.245	S	C	*	.	S	Bend	trans	-117.8	164.2	179.2	-60.2	-168.9	-175.9	177.4	0	112.2	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.34Å; P32-K35 HydrophobicContact CB-CB 4.04Å; P32-K35 HydrophobicContact CB-CD 3.98Å; P32-K35 HydrophobicContact CB-CG 4.2Å; P32-K35 HydrophobicContact CG-CB 4.26Å; P32-K35 HydrophobicContact CG-CD 4.28Å; P32-K35 PolarHBondContact O-N 2.89Å; P33-K35 PolarHBondContact O-N 3.17Å
36	A	95.9	Very high	96	Very high	82 Å²	82	49 Å²	49	68%	0.678	27%	0.27	S	S	*	.			trans	-66.7	165.7	172.5	0	0	0	0	0	111.8
37	L	95.9	Very high	95.9	Very high	92 Å²	92	53.1 Å²	53.1	48%	0.482	30%	0.304	S	S	.	.			trans	-64.6	136.8	171.9	-71.9	164.3	0	0	0	110.6	V29 R30 Q31 Y89 W103	V29-L37 HydrophobicContact CG1-CB 3.91Å; V29-L37 HydrophobicContact CG1-CD2 3.75Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; R30-L37 WeakPolarHBondContact O-CA 3.32Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 4.3Å; L37-Y89 HydrophobicContact CD2-CD2 4.09Å; L37-Y89 HydrophobicContact CD2-CE2 4.01Å; L37-W103 HydrophobicContact CD1-CH2 4.11Å; L37-W103 HydrophobicContact CD1-CZ3 4.38Å; L37-W103 HydrophobicContact CD2-CZ3 4.38Å
38	E	96.3	Very high	95.7	Very high	58 Å²	58	56.5 Å²	56.5	27%	0.271	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.7	176.6	-177.2	-170.7	171.4	0	0	108.8	V29 R30 L40 S57	V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 WeakPolarHBondContact CG1-O 3.13Å; R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE1 2.7Å; R30-E38 IonicContact CZ-OE2 3.99Å; R30-E38 VanDerWaalsContact CZ-OE2 3.23Å; R30-E38 PolarHBondContact N-O 2.89Å; R30-E38 IonicContact NE-OE1 2.91Å; R30-E38 IonicContact NE-OE2 3.38Å; R30-E38 PolarHBondContact NE-OE2 3.44Å; R30-E38 IonicContact NH2-OE1 3.5Å; R30-E38 PolarHBondContact NH2-OE1 3.12Å; R30-E38 IonicContact NH2-OE2 2.84Å; R30-E38 PolarHBondContact NH2-OE2 2.61Å; R30-E38 PolarHBondContact O-N 2.85Å; E38-L40 HydrophobicContact CG-CD2 4.46Å; E38-S57 VanDerWaalsContact OE1-CB 3.24Å; E38-S57 WeakPolarHBondContact OE1-CB 3.39Å; E38-S57 PolarHBondContact OE1-OG 2.87Å
39	W	95.9	Very high	95.5	Very high	87 Å²	87	58.9 Å²	58.9	33%	0.33	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	131.2	171.7	173.5	81	0	0	0	110.4	S27 G41 F42 E53 S55	S27-W39 PolarHBondContact OG-NE1 3.25Å; W39-G41 VanDerWaalsContact CE2-CA 3.45Å; W39-G41 VanDerWaalsContact CZ2-C 3.44Å; W39-G41 PolarHBondContact NE1-O 3.38Å; W39-F42 HydrophobicContact CH2-CD1 4.41Å; W39-F42 HydrophobicContact CZ2-CB 4.41Å; W39-F42 AromaticContact CZ2-CD1 3.46Å; W39-F42 HydrophobicContact CZ2-CD1 3.46Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.46Å; W39-F42 HydrophobicContact CZ2-CE1 4.04Å; W39-F42 HydrophobicContact CZ2-CG 4.28Å; W39-E53 HydrophobicContact CH2-CB 4.17Å; W39-S55 VanDerWaalsContact O-CB 3.31Å; W39-S55 WeakPolarHBondContact O-CB 3.27Å; W39-S55 PolarHBondContact O-OG 3.18Å
40	L	96.9	Very high	95.5	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-38.7	-177	-64	-174.5	0	0	0	113.1	W28 R30 E38 Y54 S55 V58 F62 L75 Y88	W28-L40 HydrophobicContact CB-CB 4.29Å; W28-L40 HydrophobicContact CB-CD1 4.49Å; W28-L40 WeakPolarHBondContact O-CB 3.42Å; W28-L40 PolarHBondContact O-N 2.84Å; R30-L40 HydrophobicContact CB-CD1 4.07Å; R30-L40 HydrophobicContact CB-CG 4.39Å; R30-L40 HydrophobicContact CG-CD1 4.15Å; R30-L40 HydrophobicContact CG-CD2 3.8Å; R30-L40 HydrophobicContact CG-CG 4.1Å; E38-L40 HydrophobicContact CG-CD2 4.46Å; L40-Y54 WeakPolarHBondContact O-CA 3.43Å; L40-S55 PolarHBondContact O-N 2.88Å; L40-S55 PolarHBondContact O-OG 3Å; L40-S55 VanDerWaalsContact O-OG 3.1Å; L40-V58 HydrophobicContact CB-CG2 4.23Å; L40-V58 HydrophobicContact CD2-CG1 3.81Å; L40-V58 HydrophobicContact CD2-CG2 4.45Å; L40-V58 WeakPolarHBondContact O-CG2 3.33Å; L40-F62 HydrophobicContact CD1-CE2 4.44Å; L40-L75 HydrophobicContact CD1-CD2 4.28Å; L40-Y88 HydrophobicContact CD1-CD1 3.79Å; L40-Y88 HydrophobicContact CD1-CE1 3.47Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.47Å
41	G	96	Very high	95.4	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	165.8	-173.1	0	0	0	0	0	112	S27 W28 W39 E53 I64	S27-G41 CarbonylContact C-O 3.53Å; S27-G41 WeakPolarHBondContact CA-O 3.24Å; W28-G41 PolarHBondContact N-O 2.87Å; W39-G41 VanDerWaalsContact CE2-CA 3.45Å; W39-G41 VanDerWaalsContact CZ2-C 3.44Å; W39-G41 PolarHBondContact NE1-O 3.38Å; G41-E53 CarbonylContact C-O 3.49Å; G41-E53 WeakPolarHBondContact CA-O 3.31Å; G41-I64 WeakPolarHBondContact O-CD1 3.06Å
42	F	95.8	Very high	95.3	Very high	27 Å²	27	64.7 Å²	64.7	12%	0.118	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	164.5	170.9	70.6	-109.2	0	0	0	112.1	M26 S27 W39 R44 T52 E53	M26-F42 CarbonylContact O-C 3.59Å; M26-F42 VanDerWaalsContact O-CA 3.22Å; M26-F42 WeakPolarHBondContact O-CA 3.23Å; M26-F42 WeakPolarHBondContact O-CB 2.8Å; S27-F42 WeakPolarHBondContact OG-CB 3.31Å; W39-F42 HydrophobicContact CH2-CD1 4.41Å; W39-F42 HydrophobicContact CZ2-CB 4.41Å; W39-F42 AromaticContact CZ2-CD1 3.46Å; W39-F42 HydrophobicContact CZ2-CD1 3.46Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.46Å; W39-F42 HydrophobicContact CZ2-CE1 4.04Å; W39-F42 HydrophobicContact CZ2-CG 4.28Å; F42-R44 HydrophobicContact CD2-CG 4.04Å; F42-R44 HydrophobicContact CE2-CG 3.53Å; F42-T52 VanDerWaalsContact O-CA 3.29Å; F42-T52 WeakPolarHBondContact O-CA 3.34Å; F42-E53 HydrophobicContact CD1-CB 4.4Å; F42-E53 HydrophobicContact CE1-CB 3.82Å; F42-E53 HydrophobicContact CE1-CG 4.24Å; F42-E53 HydrophobicContact CE2-CB 4.31Å; F42-E53 HydrophobicContact CE2-CG 4.29Å; F42-E53 HydrophobicContact CZ-CB 3.77Å; F42-E53 HydrophobicContact CZ-CG 3.73Å; F42-E53 WeakPolarHBondContact CZ-OE1 3.19Å; F42-E53 PolarHBondContact N-O 2.7Å; F42-E53 PolarHBondContact O-N 2.86Å
43	I	96.2	Very high	95.2	Very high	10 Å²	10	67.9 Å²	67.9	5%	0.051	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.4	166.6	-173.7	160.9	0	0	0	110.5	Y25 M26 T52 I64 R66 L73	Y25-I43 WeakPolarHBondContact CA-O 3.01Å; M26-I43 HydrophobicContact CB-CG2 4.24Å; M26-I43 PolarHBondContact N-O 2.97Å; M26-I43 VanDerWaalsContact N-O 3.13Å; M26-I43 PolarHBondContact O-N 2.91Å; I43-T52 HydrophobicContact CB-CG2 3.83Å; I43-T52 HydrophobicContact CD1-CG2 3.88Å; I43-T52 HydrophobicContact CG1-CG2 3.73Å; I43-I64 HydrophobicContact CB-CG2 3.76Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; I43-R66 HydrophobicContact CD1-CG 3.9Å; I43-R66 HydrophobicContact CG1-CG 4.45Å; I43-R66 HydrophobicContact CG2-CB 4.39Å; I43-R66 HydrophobicContact CG2-CG 4.46Å; I43-L73 HydrophobicContact CG2-CD1 3.52Å
44	R	94.4	Very high	95.4	Very high	64 Å²	64	65.3 Å²	65.3	24%	0.242	37%	0.371	C	S	.	.			trans	-70.7	164.5	175.5	-58	-161.4	174.2	90.9	0.8	111.4	Y25 F42 N48 T51 E53 R66	Y25-R44 VanDerWaalsContact CD1-CA 3.42Å; Y25-R44 HydrophobicContact CD1-CB 3.77Å; Y25-R44 HydrophobicContact CD1-CG 4.17Å; Y25-R44 HydrophobicContact CD2-CG 4.14Å; Y25-R44 HydrophobicContact CE1-CB 3.63Å; Y25-R44 HydrophobicContact CE1-CG 3.97Å; Y25-R44 HydrophobicContact CE2-CG 3.98Å; Y25-R44 HydrophobicContact CG-CB 4.27Å; Y25-R44 HydrophobicContact CG-CG 4.23Å; F42-R44 HydrophobicContact CD2-CG 4.04Å; F42-R44 HydrophobicContact CE2-CG 3.53Å; R44-N48 HydrophobicContact CB-CB 3.79Å; R44-N48 HydrophobicContact CG-CB 4.34Å; R44-T51 VanDerWaalsContact CD-OG1 3.27Å; R44-T51 WeakPolarHBondContact CD-OG1 3.24Å; R44-T51 WeakPolarHBondContact CG-OG1 3.01Å; R44-T51 PolarHBondContact N-O 3.1Å; R44-T51 PolarHBondContact NH1-OG1 3.08Å; R44-E53 IonicContact CZ-OE1 3.44Å; R44-E53 IonicContact NH1-OE1 3.36Å; R44-E53 PolarHBondContact NH1-OE1 2.95Å; R44-E53 IonicContact NH2-OE1 2.73Å; R44-E53 PolarHBondContact NH2-OE1 2.8Å; R44-R66 PolarHBondContact O-NH1 3.41Å
45	N	93.8	Very high	95.4	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	33%	0.331	C	S	.	.			trans	-73.9	-179.8	175.1	70.2	15.1	0	0	0	111.7	T22 D23 Y25 A47 N48 G49 Y50	T22-N45 VanDerWaalsContact O-CB 3.31Å; T22-N45 WeakPolarHBondContact O-CB 3.08Å; D23-N45 PolarHBondContact O-ND2 3.19Å; Y25-N45 HydrophobicContact CD1-CB 4.16Å; Y25-N45 VanDerWaalsContact CD1-N 3.25Å; Y25-N45 HydrophobicContact CE1-CB 4.31Å; N45-A47 VanDerWaalsContact C-N 3.32Å; N45-A47 PolarHBondContact O-N 3.43Å; N45-A47 PolarHBondContact OD1-N 2.94Å; N45-A47 VanDerWaalsContact OD1-N 3.13Å; N45-N48 CarbonylContact O-C 3.58Å; N45-N48 PolarHBondContact O-N 3.11Å; N45-N48 PolarHBondContact OD1-N 2.95Å; N45-N48 VanDerWaalsContact OD1-N 3.11Å; N45-N48 PolarHBondContact OD1-OD1 2.65Å; N45-G49 PolarHBondContact O-N 3.36Å; N45-Y50 PolarHBondContact O-N 2.85Å; N45-Y50 VanDerWaalsContact O-N 3.12Å
46	K	93.4	Very high	95.4	Very high	148 Å²	148	59.7 Å²	59.7	64%	0.643	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-60.8	-40.2	179.8	-172.7	175.5	177.6	-178.9	0	112.7	N48 G49 Y50	K46-N48 PolarHBondContact O-N 3.19Å; K46-G49 PolarHBondContact O-N 2.92Å; K46-G49 VanDerWaalsContact O-N 3.09Å; K46-Y50 HydrophobicContact CB-CE1 3.84Å; K46-Y50 HydrophobicContact CB-CE2 4.09Å; K46-Y50 VanDerWaalsContact CB-CZ 3.49Å; K46-Y50 WeakPolarHBondContact CB-OH 3.46Å; K46-Y50 HydrophobicContact CG-CE1 4.48Å; K46-Y50 HydrophobicContact CG-CE2 3.83Å; K46-Y50 WeakPolarHBondContact CG-OH 3.43Å
47	A	92.4	Very high	95.3	Very high	86 Å²	86	57.6 Å²	57.6	71%	0.711	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-61.9	-28.2	-178.1	0	0	0	0	0	112.2	N45	N45-A47 VanDerWaalsContact C-N 3.32Å; N45-A47 PolarHBondContact O-N 3.43Å; N45-A47 PolarHBondContact OD1-N 2.94Å; N45-A47 VanDerWaalsContact OD1-N 3.13Å
48	N	92.8	Very high	95.3	Very high	71 Å²	71	53.3 Å²	53.3	38%	0.38	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-105.6	27.1	178.3	-59.3	94.4	0	0	0	112.8	Y25 R44 N45 K46 Y50 T51	Y25-N48 HydrophobicContact CE1-CB 4.21Å; Y25-N48 PolarHBondContact OH-ND2 3.02Å; Y25-N48 PolarHBondContact OH-OD1 3.06Å; R44-N48 HydrophobicContact CB-CB 3.79Å; R44-N48 HydrophobicContact CG-CB 4.34Å; N45-N48 CarbonylContact O-C 3.58Å; N45-N48 PolarHBondContact O-N 3.11Å; N45-N48 PolarHBondContact OD1-N 2.95Å; N45-N48 VanDerWaalsContact OD1-N 3.11Å; N45-N48 PolarHBondContact OD1-OD1 2.65Å; K46-N48 PolarHBondContact O-N 3.19Å; N48-Y50 VanDerWaalsContact C-N 3.33Å; N48-Y50 PolarHBondContact O-N 2.01Å; N48-T51 PolarHBondContact O-OG1 2.92Å; N48-T51 VanDerWaalsContact O-OG1 3.14Å
49	G	94	Very high	95.3	Very high	55 Å²	55	58 Å²	58	57%	0.567	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	18.2	167.2	0	0	0	0	0	115.6	N45 K46 T51	N45-G49 PolarHBondContact O-N 3.36Å; K46-G49 PolarHBondContact O-N 2.92Å; K46-G49 VanDerWaalsContact O-N 3.09Å; G49-T51 PolarHBondContact O-N 2.84Å; G49-T51 VanDerWaalsContact O-N 3.07Å
50	Y	95.4	Very high	95.4	Very high	93 Å²	93	57.8 Å²	57.8	37%	0.365	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	26.3	-177	-56.9	-65.5	0	0	0	114.4	N45 K46 N48 R66 N68	N45-Y50 PolarHBondContact O-N 2.85Å; N45-Y50 VanDerWaalsContact O-N 3.12Å; K46-Y50 HydrophobicContact CB-CE1 3.84Å; K46-Y50 HydrophobicContact CB-CE2 4.09Å; K46-Y50 VanDerWaalsContact CB-CZ 3.49Å; K46-Y50 WeakPolarHBondContact CB-OH 3.46Å; K46-Y50 HydrophobicContact CG-CE1 4.48Å; K46-Y50 HydrophobicContact CG-CE2 3.83Å; K46-Y50 WeakPolarHBondContact CG-OH 3.43Å; N48-Y50 VanDerWaalsContact C-N 3.33Å; N48-Y50 PolarHBondContact O-N 2.01Å; Y50-R66 HydrophobicContact CD1-CG 4.37Å; Y50-R66 HydrophobicContact CE1-CG 4.41Å; Y50-N68 PolarHBondContact OH-ND2 3.04Å
51	T	95.4	Very high	95.4	Very high	64 Å²	64	58.7 Å²	58.7	39%	0.393	35%	0.346	S	S	.	.			trans	-62.3	144.6	178.8	49	0	0	0	0	110.5	R44 N48 G49	R44-T51 VanDerWaalsContact CD-OG1 3.27Å; R44-T51 WeakPolarHBondContact CD-OG1 3.24Å; R44-T51 WeakPolarHBondContact CG-OG1 3.01Å; R44-T51 PolarHBondContact N-O 3.1Å; R44-T51 PolarHBondContact NH1-OG1 3.08Å; N48-T51 PolarHBondContact O-OG1 2.92Å; N48-T51 VanDerWaalsContact O-OG1 3.14Å; G49-T51 PolarHBondContact O-N 2.84Å; G49-T51 VanDerWaalsContact O-N 3.07Å
52	T	96.5	Very high	95.5	Very high	55 Å²	55	58.9 Å²	58.9	34%	0.337	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.5	-178.4	50.6	0	0	0	0	110.5	F42 I43 Y54	F42-T52 VanDerWaalsContact O-CA 3.29Å; F42-T52 WeakPolarHBondContact O-CA 3.34Å; I43-T52 HydrophobicContact CB-CG2 3.83Å; I43-T52 HydrophobicContact CD1-CG2 3.88Å; I43-T52 HydrophobicContact CG1-CG2 3.73Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.4Å
53	E	95.8	Very high	95.6	Very high	84 Å²	84	60.9 Å²	60.9	39%	0.393	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.7	170.9	-69.6	179.8	-148.1	0	0	108.6	W39 G41 F42 R44	W39-E53 HydrophobicContact CH2-CB 4.17Å; G41-E53 CarbonylContact C-O 3.49Å; G41-E53 WeakPolarHBondContact CA-O 3.31Å; F42-E53 HydrophobicContact CD1-CB 4.4Å; F42-E53 HydrophobicContact CE1-CB 3.82Å; F42-E53 HydrophobicContact CE1-CG 4.24Å; F42-E53 HydrophobicContact CE2-CB 4.31Å; F42-E53 HydrophobicContact CE2-CG 4.29Å; F42-E53 HydrophobicContact CZ-CB 3.77Å; F42-E53 HydrophobicContact CZ-CG 3.73Å; F42-E53 WeakPolarHBondContact CZ-OE1 3.19Å; F42-E53 PolarHBondContact N-O 2.7Å; F42-E53 PolarHBondContact O-N 2.86Å; R44-E53 IonicContact CZ-OE1 3.44Å; R44-E53 IonicContact NH1-OE1 3.36Å; R44-E53 PolarHBondContact NH1-OE1 2.95Å; R44-E53 IonicContact NH2-OE1 2.73Å; R44-E53 PolarHBondContact NH2-OE1 2.8Å
54	Y	97.3	Very high	95.7	Very high	57 Å²	57	60.7 Å²	60.7	22%	0.224	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	142.2	-175.1	-60.9	-89.2	0	0	0	109.7	L40 T52 V58 F62 I64	L40-Y54 WeakPolarHBondContact O-CA 3.43Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.4Å; Y54-V58 HydrophobicContact CD1-CG2 4.46Å; Y54-F62 VanDerWaalsContact CE1-O 3.31Å; Y54-F62 WeakPolarHBondContact CE1-O 3.45Å; Y54-I64 HydrophobicContact CD1-CD1 4.41Å; Y54-I64 HydrophobicContact CE1-CB 4.37Å; Y54-I64 HydrophobicContact CE1-CD1 4.03Å; Y54-I64 HydrophobicContact CE1-CG1 3.87Å; Y54-I64 PolarHBondContact OH-N 2.89Å
55	S	96.6	Very high	95.9	Very high	18 Å²	18	59.8 Å²	59.8	13%	0.126	36%	0.364	C	S	.	.			trans	-64.6	156.5	166.8	68.5	0	0	0	0	111	W39 L40 S57 V58 K59	W39-S55 VanDerWaalsContact O-CB 3.31Å; W39-S55 WeakPolarHBondContact O-CB 3.27Å; W39-S55 PolarHBondContact O-OG 3.18Å; L40-S55 PolarHBondContact O-N 2.88Å; L40-S55 PolarHBondContact O-OG 3Å; L40-S55 VanDerWaalsContact O-OG 3.1Å; S55-S57 PolarHBondContact O-N 3.46Å; S55-S57 PolarHBondContact OG-OG 3.39Å; S55-S57 VanDerWaalsContact OG-OG 3.08Å; S55-V58 PolarHBondContact O-N 3.22Å; S55-K59 WeakPolarHBondContact O-CB 3.33Å; S55-K59 PolarHBondContact O-N 2.86Å; S55-K59 VanDerWaalsContact O-N 3.12Å
56	A	96.4	Very high	96	Very high	101 Å²	101	61.1 Å²	61.1	84%	0.835	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.3	-179.2	0	0	0	0	0	113.1	V58	A56-V58 VanDerWaalsContact C-N 3.34Å; A56-V58 PolarHBondContact O-N 2.9Å
57	S	94.4	Very high	96.2	Very high	38 Å²	38	56.2 Å²	56.2	27%	0.266	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-25.3	-175.8	61.3	0	0	0	0	114	E38 S55 R61	E38-S57 VanDerWaalsContact OE1-CB 3.24Å; E38-S57 WeakPolarHBondContact OE1-CB 3.39Å; E38-S57 PolarHBondContact OE1-OG 2.87Å; S55-S57 PolarHBondContact O-N 3.46Å; S55-S57 PolarHBondContact OG-OG 3.39Å; S55-S57 VanDerWaalsContact OG-OG 3.08Å; S57-R61 PolarHBondContact O-NH2 3.39Å
58	V	96.5	Very high	96.3	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-6	-176.3	-59.3	0	0	0	0	114.2	L40 Y54 S55 A56 G60 R61 F62	L40-V58 HydrophobicContact CB-CG2 4.23Å; L40-V58 HydrophobicContact CD2-CG1 3.81Å; L40-V58 HydrophobicContact CD2-CG2 4.45Å; L40-V58 WeakPolarHBondContact O-CG2 3.33Å; Y54-V58 HydrophobicContact CD1-CG2 4.46Å; S55-V58 PolarHBondContact O-N 3.22Å; A56-V58 VanDerWaalsContact C-N 3.34Å; A56-V58 PolarHBondContact O-N 2.9Å; V58-G60 PolarHBondContact O-N 2.59Å; V58-R61 PolarHBondContact O-N 3.23Å; V58-F62 HydrophobicContact CB-CB 4.02Å; V58-F62 HydrophobicContact CB-CD1 4.38Å; V58-F62 HydrophobicContact CB-CD2 3.54Å; V58-F62 HydrophobicContact CB-CE2 4.01Å; V58-F62 HydrophobicContact CB-CG 3.73Å; V58-F62 HydrophobicContact CG1-CD2 3.44Å; V58-F62 VanDerWaalsContact CG1-CD2 3.44Å; V58-F62 HydrophobicContact CG1-CE2 3.38Å; V58-F62 HydrophobicContact CG1-CG 4.08Å; V58-F62 HydrophobicContact CG1-CZ 3.98Å; V58-F62 HydrophobicContact CG2-CB 4.38Å; V58-F62 HydrophobicContact CG2-CD2 4.17Å; V58-F62 HydrophobicContact CG2-CG 4.49Å; V58-F62 PolarHBondContact O-N 3.18Å
59	K	96.3	Very high	96.4	Very high	156 Å²	156	55.6 Å²	55.6	68%	0.678	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	129.2	179	-171.1	169.9	-175.9	175.5	0	110.9	S55 R61	S55-K59 WeakPolarHBondContact O-CB 3.33Å; S55-K59 PolarHBondContact O-N 2.86Å; S55-K59 VanDerWaalsContact O-N 3.12Å; K59-R61 VanDerWaalsContact C-N 3.26Å; K59-R61 PolarHBondContact O-N 2.99Å
60	G	96.4	Very high	96.4	Very high	83 Å²	83	58.3 Å²	58.3	86%	0.856	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-7.7	-178.5	0	0	0	0	0	115.1	V58	V58-G60 PolarHBondContact O-N 2.59Å
61	R	97.5	Very high	96.4	Very high	20 Å²	20	55.7 Å²	55.7	8%	0.075	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-39.3	177.1	-59.8	-168.7	-57.9	117.9	-0.8	112.2	S57 V58 K59 N78 T79 D84	S57-R61 PolarHBondContact O-NH2 3.39Å; V58-R61 PolarHBondContact O-N 3.23Å; K59-R61 VanDerWaalsContact C-N 3.26Å; K59-R61 PolarHBondContact O-N 2.99Å; R61-N78 WeakPolarHBondContact O-CB 3.48Å; R61-N78 PolarHBondContact O-N 3.29Å; R61-T79 WeakPolarHBondContact CD-OG1 3.41Å; R61-T79 WeakPolarHBondContact CG-OG1 3.4Å; R61-T79 PolarHBondContact NH1-O 3.43Å; R61-D84 IonicContact CZ-OD1 2.92Å; R61-D84 IonicContact CZ-OD2 3.85Å; R61-D84 IonicContact NH1-OD1 3.91Å; R61-D84 IonicContact NH1-OD2 3.78Å; R61-D84 PolarHBondContact NH1-OD2 3.42Å; R61-D84 IonicContact NH2-OD1 2.94Å; R61-D84 PolarHBondContact NH2-OD1 3.01Å; R61-D84 IonicContact NH2-OD2 3.71Å; R61-D84 PolarHBondContact NH2-OD2 2.99Å
62	F	97.9	Very high	96.5	Very high	4 Å²	4	54 Å²	54	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.1	-176.2	-63.6	6.4	0	0	0	111.1	L40 Y54 V58 L75 Q76 M77 L80 D84 Y88	L40-F62 HydrophobicContact CD1-CE2 4.44Å; Y54-F62 VanDerWaalsContact CE1-O 3.31Å; Y54-F62 WeakPolarHBondContact CE1-O 3.45Å; V58-F62 HydrophobicContact CB-CB 4.02Å; V58-F62 HydrophobicContact CB-CD1 4.38Å; V58-F62 HydrophobicContact CB-CD2 3.54Å; V58-F62 HydrophobicContact CB-CE2 4.01Å; V58-F62 HydrophobicContact CB-CG 3.73Å; V58-F62 HydrophobicContact CG1-CD2 3.44Å; V58-F62 VanDerWaalsContact CG1-CD2 3.44Å; V58-F62 HydrophobicContact CG1-CE2 3.38Å; V58-F62 HydrophobicContact CG1-CG 4.08Å; V58-F62 HydrophobicContact CG1-CZ 3.98Å; V58-F62 HydrophobicContact CG2-CB 4.38Å; V58-F62 HydrophobicContact CG2-CD2 4.17Å; V58-F62 HydrophobicContact CG2-CG 4.49Å; V58-F62 PolarHBondContact O-N 3.18Å; F62-L75 HydrophobicContact CB-CD1 4.1Å; F62-L75 HydrophobicContact CD2-CD1 4.27Å; F62-L75 HydrophobicContact CD2-CD2 4.15Å; F62-L75 HydrophobicContact CD2-CG 4.39Å; F62-Q76 CarbonylContact C-O 3.59Å; F62-Q76 WeakPolarHBondContact CA-O 3.33Å; F62-M77 HydrophobicContact CD1-CB 3.92Å; F62-M77 HydrophobicContact CD1-CG 4.14Å; F62-M77 HydrophobicContact CD2-CG 3.96Å; F62-M77 HydrophobicContact CE1-CB 3.81Å; F62-M77 HydrophobicContact CE1-CG 4.12Å; F62-M77 HydrophobicContact CE2-CB 4.49Å; F62-M77 HydrophobicContact CE2-CE 4.31Å; F62-M77 HydrophobicContact CE2-CG 3.91Å; F62-M77 HydrophobicContact CG-CB 4.37Å; F62-M77 HydrophobicContact CG-CG 4.09Å; F62-M77 HydrophobicContact CZ-CB 4.12Å; F62-M77 HydrophobicContact CZ-CE 4.06Å; F62-M77 HydrophobicContact CZ-CG 4.01Å; F62-L80 HydrophobicContact CE1-CD2 4.13Å; F62-L80 HydrophobicContact CZ-CD2 4Å; F62-D84 HydrophobicContact CZ-CB 4.34Å; F62-Y88 HydrophobicContact CE2-CE1 4.22Å
63	T	98.3	Very high	96.6	Very high	70 Å²	70	51.3 Å²	51.3	43%	0.429	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.5	178.2	-53	0	0	0	0	109.7	Q76	T63-Q76 PolarHBondContact N-O 3.13Å; T63-Q76 PolarHBondContact O-N 2.97Å
64	I	98.3	Very high	96.7	Very high	6 Å²	6	49 Å²	49	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.4	174.4	-60.6	169	0	0	0	108.7	G41 I43 Y54 L73 Y74 L75	G41-I64 WeakPolarHBondContact O-CD1 3.06Å; I43-I64 HydrophobicContact CB-CG2 3.76Å; I43-I64 HydrophobicContact CG2-CG2 3.6Å; Y54-I64 HydrophobicContact CD1-CD1 4.41Å; Y54-I64 HydrophobicContact CE1-CB 4.37Å; Y54-I64 HydrophobicContact CE1-CD1 4.03Å; Y54-I64 HydrophobicContact CE1-CG1 3.87Å; Y54-I64 PolarHBondContact OH-N 2.89Å; I64-L73 HydrophobicContact CG2-CD1 3.85Å; I64-Y74 WeakPolarHBondContact CA-O 3.45Å; I64-L75 HydrophobicContact CD1-CD1 4.43Å; I64-L75 HydrophobicContact CG1-CD1 3.57Å
65	S	98.1	Very high	96.8	Very high	44 Å²	44	46.4 Å²	46.4	31%	0.308	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	162.5	172.6	63.6	0	0	0	0	110.7	Y74	S65-Y74 PolarHBondContact N-O 2.92Å; S65-Y74 VanDerWaalsContact N-O 3.11Å; S65-Y74 PolarHBondContact O-N 2.78Å
66	R	97.2	Very high	96.9	Very high	30 Å²	30	48.2 Å²	48.2	11%	0.113	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142.9	-177.1	63	-173.5	-69.5	164.6	6.4	111.5	F21 Y24 I43 R44 Y50 N68 I72 L73	F21-R66 HydrophobicContact CE1-CB 4.1Å; F21-R66 HydrophobicContact CZ-CB 4.01Å; F21-R66 PolarHBondContact O-NH2 2.78Å; Y24-R66 PolarHBondContact O-NH1 3.06Å; I43-R66 HydrophobicContact CD1-CG 3.9Å; I43-R66 HydrophobicContact CG1-CG 4.45Å; I43-R66 HydrophobicContact CG2-CB 4.39Å; I43-R66 HydrophobicContact CG2-CG 4.46Å; R44-R66 PolarHBondContact O-NH1 3.41Å; Y50-R66 HydrophobicContact CD1-CG 4.37Å; Y50-R66 HydrophobicContact CE1-CG 4.41Å; R66-N68 PolarHBondContact NE-OD1 2.98Å; R66-N68 PolarHBondContact NH2-OD1 3.12Å; R66-I72 CarbonylContact C-O 3.57Å; R66-I72 WeakPolarHBondContact CA-O 3.44Å; R66-L73 HydrophobicContact CB-CD1 4.23Å
67	D	96.4	Very high	96.9	Very high	44 Å²	44	43.4 Å²	43.4	24%	0.235	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.5	169	-175.8	-16.8	0	0	0	109	S69 Q70 S71 I72 Y74	D67-S69 WeakPolarHBondContact OD1-CA 3.47Å; D67-S69 WeakPolarHBondContact OD1-CB 2.97Å; D67-S69 PolarHBondContact OD1-N 3.31Å; D67-S69 PolarHBondContact OD1-OG 3.36Å; D67-Q70 HydrophobicContact CB-CB 4.44Å; D67-Q70 PolarHBondContact OD1-N 2.89Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.38Å; D67-Q70 PolarHBondContact OD2-OE1 2.82Å; D67-S71 WeakPolarHBondContact O-CA 3.34Å; D67-S71 PolarHBondContact O-N 2.78Å; D67-I72 PolarHBondContact N-O 3.29Å; D67-I72 PolarHBondContact O-N 2.89Å; D67-Y74 HydrophobicContact CB-CE2 3.9Å
68	N	94.9	Very high	97	Very high	38 Å²	38	44.2 Å²	44.2	20%	0.203	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.4	-178.7	-74.6	-12.9	0	0	0	113.1	F21 T22 Y50 R66 Q70	F21-N68 WeakPolarHBondContact CD1-OD1 3.21Å; F21-N68 VanDerWaalsContact CE1-OD1 3.27Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.38Å; T22-N68 HydrophobicContact CG2-CB 3.76Å; Y50-N68 PolarHBondContact OH-ND2 3.04Å; R66-N68 PolarHBondContact NE-OD1 2.98Å; R66-N68 PolarHBondContact NH2-OD1 3.12Å; N68-Q70 VanDerWaalsContact C-N 3.27Å
69	S	94	Very high	96.9	Very high	106 Å²	106	47.7 Å²	47.7	74%	0.741	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-29.9	178.2	71.2	0	0	0	0	111.6	D67	D67-S69 WeakPolarHBondContact OD1-CA 3.47Å; D67-S69 WeakPolarHBondContact OD1-CB 2.97Å; D67-S69 PolarHBondContact OD1-N 3.31Å; D67-S69 PolarHBondContact OD1-OG 3.36Å
70	Q	95.4	Very high	96.9	Very high	113 Å²	113	40.3 Å²	40.3	53%	0.528	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-6.4	-179.6	-59.6	-176.3	-10.2	0	0	113.2	D67 N68 I72	D67-Q70 HydrophobicContact CB-CB 4.44Å; D67-Q70 PolarHBondContact OD1-N 2.89Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.38Å; D67-Q70 PolarHBondContact OD2-OE1 2.82Å; N68-Q70 VanDerWaalsContact C-N 3.27Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 HydrophobicContact CB-CB 4.42Å; Q70-I72 HydrophobicContact CB-CD1 3.76Å; Q70-I72 HydrophobicContact CB-CG1 3.8Å; Q70-I72 WeakPolarHBondContact O-CG1 3.47Å; Q70-I72 PolarHBondContact O-N 2.97Å
71	S	95.7	Very high	96.9	Very high	38 Å²	38	42.3 Å²	42.3	27%	0.266	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	42.2	-171.5	-57.5	0	0	0	0	113.1	T16 D67	T16-S71 PolarHBondContact N-O 3.21Å; T16-S71 PolarHBondContact OG1-O 2.84Å; D67-S71 WeakPolarHBondContact O-CA 3.34Å; D67-S71 PolarHBondContact O-N 2.78Å
72	I	97.6	Very high	96.7	Very high	27 Å²	27	44.5 Å²	44.5	14%	0.138	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.1	-177.8	-58.9	178	0	0	0	111	C14 A15 R66 D67 Q70 Y74	C14-I72 CarbonylContact O-C 3.47Å; C14-I72 WeakPolarHBondContact O-CA 3.48Å; A15-I72 HydrophobicContact CB-CG1 4.14Å; R66-I72 CarbonylContact C-O 3.57Å; R66-I72 WeakPolarHBondContact CA-O 3.44Å; D67-I72 PolarHBondContact N-O 3.29Å; D67-I72 PolarHBondContact O-N 2.89Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 HydrophobicContact CB-CB 4.42Å; Q70-I72 HydrophobicContact CB-CD1 3.76Å; Q70-I72 HydrophobicContact CB-CG1 3.8Å; Q70-I72 WeakPolarHBondContact O-CG1 3.47Å; Q70-I72 PolarHBondContact O-N 2.97Å; I72-Y74 HydrophobicContact CB-CE2 4.05Å; I72-Y74 HydrophobicContact CG2-CD1 4.03Å; I72-Y74 HydrophobicContact CG2-CD2 4.17Å; I72-Y74 HydrophobicContact CG2-CE1 3.54Å; I72-Y74 HydrophobicContact CG2-CE2 3.68Å; I72-Y74 HydrophobicContact CG2-CG 4.33Å
73	L	97.9	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.2	166.7	-172.6	70.9	0	0	0	109.9	S13 C14 F21 M26 W28 I43 I64 R66 C90	S13-L73 CarbonylContact C-O 3.53Å; S13-L73 WeakPolarHBondContact CA-O 3.43Å; C14-L73 HydrophobicContact CB-CB 4.37Å; C14-L73 PolarHBondContact N-O 3.11Å; C14-L73 PolarHBondContact O-N 3.08Å; F21-L73 HydrophobicContact CE2-CB 4.44Å; F21-L73 HydrophobicContact CZ-CB 4.39Å; M26-L73 HydrophobicContact CB-CD1 3.6Å; M26-L73 HydrophobicContact CB-CD2 3.78Å; M26-L73 HydrophobicContact CB-CG 4.21Å; M26-L73 HydrophobicContact CG-CD1 4.41Å; W28-L73 HydrophobicContact CD2-CD2 4.34Å; W28-L73 HydrophobicContact CG-CD2 4.31Å; W28-L73 HydrophobicContact CZ2-CD2 4.27Å; W28-L73 HydrophobicContact CZ2-CG 4.37Å; I43-L73 HydrophobicContact CG2-CD1 3.52Å; I64-L73 HydrophobicContact CG2-CD1 3.85Å; R66-L73 HydrophobicContact CB-CD1 4.23Å; L73-C90 HydrophobicContact CD2-CB 3.97Å
74	Y	98.3	Very high	96.5	Very high	36 Å²	36	46.5 Å²	46.5	14%	0.141	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.7	177.7	-60.8	-78.5	0	0	0	111.7	R11 L12 W28 I64 S65 D67 I72	R11-Y74 HydrophobicContact CG-CD1 4.44Å; R11-Y74 VanDerWaalsContact NE-CD1 3.34Å; R11-Y74 VanDerWaalsContact NH2-CD2 3.26Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.41Å; W28-Y74 PolarHBondContact NE1-O 2.83Å; I64-Y74 WeakPolarHBondContact CA-O 3.45Å; S65-Y74 PolarHBondContact N-O 2.92Å; S65-Y74 VanDerWaalsContact N-O 3.11Å; S65-Y74 PolarHBondContact O-N 2.78Å; D67-Y74 HydrophobicContact CB-CE2 3.9Å; I72-Y74 HydrophobicContact CB-CE2 4.05Å; I72-Y74 HydrophobicContact CG2-CD1 4.03Å; I72-Y74 HydrophobicContact CG2-CD2 4.17Å; I72-Y74 HydrophobicContact CG2-CE1 3.54Å; I72-Y74 HydrophobicContact CG2-CE2 3.68Å; I72-Y74 HydrophobicContact CG2-CG 4.33Å
75	L	98.4	Very high	96.4	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	106.2	166.6	-172.8	67.6	0	0	0	108.3	R11 L12 W28 L40 F62 I64 M77 Y88	R11-L75 WeakPolarHBondContact CA-O 3.5Å; L12-L75 HydrophobicContact CB-CB 4.28Å; L12-L75 HydrophobicContact CD1-CD2 4.41Å; L12-L75 PolarHBondContact N-O 2.9Å; L12-L75 PolarHBondContact O-N 3.3Å; W28-L75 HydrophobicContact CB-CD2 4.35Å; W28-L75 HydrophobicContact CD2-CB 3.89Å; W28-L75 HydrophobicContact CD2-CD2 4.06Å; W28-L75 HydrophobicContact CD2-CG 4.46Å; W28-L75 HydrophobicContact CE3-CD2 4.31Å; W28-L75 HydrophobicContact CG-CB 4.14Å; W28-L75 HydrophobicContact CG-CD1 4.16Å; W28-L75 HydrophobicContact CG-CD2 4.07Å; W28-L75 HydrophobicContact CG-CG 4.37Å; W28-L75 HydrophobicContact CZ2-CB 3.94Å; L40-L75 HydrophobicContact CD1-CD2 4.28Å; F62-L75 HydrophobicContact CB-CD1 4.1Å; F62-L75 HydrophobicContact CD2-CD1 4.27Å; F62-L75 HydrophobicContact CD2-CD2 4.15Å; F62-L75 HydrophobicContact CD2-CG 4.39Å; I64-L75 HydrophobicContact CD1-CD1 4.43Å; I64-L75 HydrophobicContact CG1-CD1 3.57Å; L75-M77 HydrophobicContact CD2-CG 3.79Å; L75-M77 HydrophobicContact CD2-SD 3.84Å; L75-M77 HydrophobicContact CG-CG 3.74Å; L75-M77 HydrophobicContact CG-SD 4.32Å; L75-Y88 HydrophobicContact CD2-CD1 3.9Å; L75-Y88 HydrophobicContact CD2-CE1 4Å
76	Q	98.2	Very high	96.4	Very high	57 Å²	57	45.6 Å²	45.6	27%	0.266	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	119.2	167.4	-179.1	63	34.8	0	0	108	F62 T63 N78	F62-Q76 CarbonylContact C-O 3.59Å; F62-Q76 WeakPolarHBondContact CA-O 3.33Å; T63-Q76 PolarHBondContact N-O 3.13Å; T63-Q76 PolarHBondContact O-N 2.97Å; Q76-N78 PolarHBondContact NE2-OD1 2.9Å
77	M	97.6	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108.3	-178.7	-61.8	165	48.8	0	0	107.9	S9 L10 L12 F62 L75 L80 Y88 V109	S9-M77 CarbonylContact C-O 3.6Å; S9-M77 WeakPolarHBondContact CA-O 3.34Å; S9-M77 WeakPolarHBondContact CB-O 3.45Å; L10-M77 PolarHBondContact N-O 2.82Å; L10-M77 WeakPolarHBondContact O-CB 3.34Å; L10-M77 PolarHBondContact O-N 2.99Å; L12-M77 HydrophobicContact CD1-SD 3.67Å; L12-M77 HydrophobicContact CG-SD 3.8Å; F62-M77 HydrophobicContact CD1-CB 3.92Å; F62-M77 HydrophobicContact CD1-CG 4.14Å; F62-M77 HydrophobicContact CD2-CG 3.96Å; F62-M77 HydrophobicContact CE1-CB 3.81Å; F62-M77 HydrophobicContact CE1-CG 4.12Å; F62-M77 HydrophobicContact CE2-CB 4.49Å; F62-M77 HydrophobicContact CE2-CE 4.31Å; F62-M77 HydrophobicContact CE2-CG 3.91Å; F62-M77 HydrophobicContact CG-CB 4.37Å; F62-M77 HydrophobicContact CG-CG 4.09Å; F62-M77 HydrophobicContact CZ-CB 4.12Å; F62-M77 HydrophobicContact CZ-CE 4.06Å; F62-M77 HydrophobicContact CZ-CG 4.01Å; L75-M77 HydrophobicContact CD2-CG 3.79Å; L75-M77 HydrophobicContact CD2-SD 3.84Å; L75-M77 HydrophobicContact CG-CG 3.74Å; L75-M77 HydrophobicContact CG-SD 4.32Å; M77-L80 HydrophobicContact CB-CD1 4.36Å; M77-L80 HydrophobicContact CB-CD2 4.09Å; M77-L80 HydrophobicContact CB-CG 4.26Å; M77-L80 HydrophobicContact CE-CD1 4.11Å; M77-L80 HydrophobicContact CE-CD2 3.24Å; M77-L80 HydrophobicContact CE-CG 4.21Å; M77-Y88 HydrophobicContact CE-CE1 4.02Å; M77-Y88 HydrophobicContact CE-CE2 4.18Å; M77-Y88 HydrophobicContact SD-CD1 4.46Å; M77-Y88 HydrophobicContact SD-CE1 4.04Å; M77-V109 HydrophobicContact CE-CG1 4.11Å
78	N	96.4	Very high	96.6	Very high	54 Å²	54	44.1 Å²	44.1	29%	0.289	24%	0.242	S	C	.	.			trans	-105.7	156	177.1	-54.3	-50.1	0	0	0	110.6	S9 R61 Q76 L80	S9-N78 WeakPolarHBondContact OG-CA 3.25Å; S9-N78 PolarHBondContact OG-OD1 3.03Å; R61-N78 WeakPolarHBondContact O-CB 3.48Å; R61-N78 PolarHBondContact O-N 3.29Å; Q76-N78 PolarHBondContact NE2-OD1 2.9Å; N78-L80 PolarHBondContact O-N 3.04Å
79	T	95.1	Very high	96.7	Very high	74 Å²	74	44.3 Å²	44.3	45%	0.454	24%	0.24	S	C	.	.	S	Bend	trans	52.8	53.4	176.3	59.8	0	0	0	0	111.7	G8 R61	G8-T79 PolarHBondContact O-N 2.96Å; R61-T79 WeakPolarHBondContact CD-OG1 3.41Å; R61-T79 WeakPolarHBondContact CG-OG1 3.4Å; R61-T79 PolarHBondContact NH1-O 3.43Å
80	L	95.9	Very high	96.8	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	21%	0.207	C	C	.	.			trans	-63.5	142	-177.5	-83.6	166.5	0	0	0	111.8	V4 G7 G8 L10 F62 M77 N78 D84 V111	V4-L80 HydrophobicContact CB-CD1 4.17Å; V4-L80 HydrophobicContact CG1-CD1 4.04Å; V4-L80 HydrophobicContact CG2-CD1 4.31Å; G7-L80 PolarHBondContact N-O 3.21Å; G8-L80 WeakPolarHBondContact O-CB 3.14Å; G8-L80 PolarHBondContact O-N 2.79Å; L10-L80 HydrophobicContact CB-CD1 3.95Å; F62-L80 HydrophobicContact CE1-CD2 4.13Å; F62-L80 HydrophobicContact CZ-CD2 4Å; M77-L80 HydrophobicContact CB-CD1 4.36Å; M77-L80 HydrophobicContact CB-CD2 4.09Å; M77-L80 HydrophobicContact CB-CG 4.26Å; M77-L80 HydrophobicContact CE-CD1 4.11Å; M77-L80 HydrophobicContact CE-CD2 3.24Å; M77-L80 HydrophobicContact CE-CG 4.21Å; N78-L80 PolarHBondContact O-N 3.04Å; L80-D84 HydrophobicContact CD2-CB 3.63Å; L80-V111 HydrophobicContact CB-CG1 4.24Å; L80-V111 HydrophobicContact CB-CG2 4.04Å; L80-V111 HydrophobicContact CD1-CG2 4.39Å; L80-V111 HydrophobicContact CD2-CG2 4.16Å; L80-V111 HydrophobicContact CG-CG2 4.43Å
81	R	95.4	Very high	96.8	Very high	124 Å²	124	34.2 Å²	34.2	47%	0.468	18%	0.182	S	C	.	.			trans	-119.6	159.5	179	-60.6	171.6	-177.9	178.1	-1.4	109.5	E83 D84 V111	R81-E83 HydrophobicContact CB-CG 3.65Å; R81-E83 WeakPolarHBondContact CD-OE1 3.22Å; R81-E83 IonicContact CZ-OE1 2.65Å; R81-E83 IonicContact NE-OE1 2.86Å; R81-E83 IonicContact NH1-OE1 3.93Å; R81-E83 PolarHBondContact NH1-OE1 2.99Å; R81-E83 PolarHBondContact O-N 3.39Å; R81-E83 VanDerWaalsContact O-N 3.17Å; R81-D84 PolarHBondContact N-OD2 3.18Å; R81-D84 VanDerWaalsContact O-CB 3.32Å; R81-D84 WeakPolarHBondContact O-CB 3.43Å; R81-D84 PolarHBondContact O-N 2.73Å; R81-V111 WeakPolarHBondContact O-CB 3.44Å
82	A	94.4	Very high	96.7	Very high	66 Å²	66	34 Å²	34	55%	0.545	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-54.6	-36.3	176.7	0	0	0	0	0	112.3	D84 S85	A82-D84 PolarHBondContact O-N 3.36Å; A82-S85 WeakPolarHBondContact O-CB 3.2Å; A82-S85 PolarHBondContact O-N 2.89Å; A82-S85 VanDerWaalsContact O-N 3.08Å; A82-S85 PolarHBondContact O-OG 2.98Å
83	E	94.4	Very high	96.1	Very high	116 Å²	116	33.3 Å²	33.3	54%	0.542	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-63.5	-16.1	175.4	63.4	-171.1	-163.1	0	0	114.6	R81 S85	R81-E83 HydrophobicContact CB-CG 3.65Å; R81-E83 WeakPolarHBondContact CD-OE1 3.22Å; R81-E83 IonicContact CZ-OE1 2.65Å; R81-E83 IonicContact NE-OE1 2.86Å; R81-E83 IonicContact NH1-OE1 3.93Å; R81-E83 PolarHBondContact NH1-OE1 2.99Å; R81-E83 PolarHBondContact O-N 3.39Å; R81-E83 VanDerWaalsContact O-N 3.17Å; E83-S85 PolarHBondContact O-N 3.4Å
84	D	96.7	Very high	94.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-83.1	-0.1	174.6	-59.7	-49.1	0	0	0	112.5	R30 R61 F62 L80 R81 A82 A86 Y88	R30-D84 IonicContact CZ-OD1 3.23Å; R30-D84 IonicContact NH1-OD1 2.84Å; R30-D84 PolarHBondContact NH1-OD1 2.85Å; R61-D84 IonicContact CZ-OD1 2.92Å; R61-D84 IonicContact CZ-OD2 3.85Å; R61-D84 IonicContact NH1-OD1 3.91Å; R61-D84 IonicContact NH1-OD2 3.78Å; R61-D84 PolarHBondContact NH1-OD2 3.42Å; R61-D84 IonicContact NH2-OD1 2.94Å; R61-D84 PolarHBondContact NH2-OD1 3.01Å; R61-D84 IonicContact NH2-OD2 3.71Å; R61-D84 PolarHBondContact NH2-OD2 2.99Å; F62-D84 HydrophobicContact CZ-CB 4.34Å; L80-D84 HydrophobicContact CD2-CB 3.63Å; R81-D84 PolarHBondContact N-OD2 3.18Å; R81-D84 VanDerWaalsContact O-CB 3.32Å; R81-D84 WeakPolarHBondContact O-CB 3.43Å; R81-D84 PolarHBondContact O-N 2.73Å; A82-D84 PolarHBondContact O-N 3.36Å; D84-A86 PolarHBondContact O-N 2.97Å; D84-A86 VanDerWaalsContact O-N 3.17Å; D84-Y88 WeakPolarHBondContact O-CE2 3.27Å; D84-Y88 PolarHBondContact O-OH 2.72Å
85	S	97.4	Very high	93.4	Very high	28 Å²	28	41.9 Å²	41.9	20%	0.196	21%	0.209	C	C	.	.			trans	-67.7	113	174.2	-57.1	0	0	0	0	110.8	A82 E83 V109 V111	A82-S85 WeakPolarHBondContact O-CB 3.2Å; A82-S85 PolarHBondContact O-N 2.89Å; A82-S85 VanDerWaalsContact O-N 3.08Å; A82-S85 PolarHBondContact O-OG 2.98Å; E83-S85 PolarHBondContact O-N 3.4Å; S85-V109 CarbonylContact C-O 3.59Å; S85-V109 VanDerWaalsContact CA-O 3.31Å; S85-V109 WeakPolarHBondContact CA-O 3.35Å; S85-V111 PolarHBondContact OG-N 3.09Å
86	A	97.8	Very high	91.6	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	169.2	-174.5	0	0	0	0	0	111.5	R30 Q31 P32 D84 Y88 V109	R30-A86 HydrophobicContact CB-CB 3.87Å; R30-A86 HydrophobicContact CG-CB 4.23Å; Q31-A86 WeakPolarHBondContact O-CA 3.33Å; Q31-A86 WeakPolarHBondContact O-CB 3.37Å; P32-A86 HydrophobicContact CG-CB 4.45Å; D84-A86 PolarHBondContact O-N 2.97Å; D84-A86 VanDerWaalsContact O-N 3.17Å; A86-Y88 HydrophobicContact CB-CD2 4.28Å; A86-Y88 HydrophobicContact CB-CE2 3.85Å; A86-Y88 WeakPolarHBondContact O-CD2 3.33Å; A86-V109 PolarHBondContact N-O 3.43Å; A86-V109 PolarHBondContact O-N 3.29Å
87	T	98.4	Very high	89.6	Confident	41 Å²	41	50.1 Å²	50.1	25%	0.252	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.8	161.3	-55.3	0	0	0	0	109.1	R30 Q31 Y89	R30-T87 CarbonylContact C-O 3.46Å; R30-T87 VanDerWaalsContact CA-O 3.24Å; R30-T87 WeakPolarHBondContact CA-O 3.5Å; Q31-T87 PolarHBondContact N-O 3.2Å; Q31-T87 PolarHBondContact O-N 3.17Å; T87-Y89 HydrophobicContact CG2-CD2 4.48Å; T87-Y89 HydrophobicContact CG2-CE1 3.82Å; T87-Y89 HydrophobicContact CG2-CE2 3.74Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.29Å; T87-Y89 WeakPolarHBondContact O-CE2 3.48Å
88	Y	98.2	Very high	87.8	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.6	-177.6	-74.8	-105.2	0	0	0	110.7	L12 V29 R30 L40 F62 L75 M77 D84 A86 G106 T107 V109	L12-Y88 HydrophobicContact CD1-CD1 3.9Å; L12-Y88 HydrophobicContact CD1-CD2 4.29Å; L12-Y88 HydrophobicContact CD1-CG 3.68Å; V29-Y88 CarbonylContact O-C 3.48Å; R30-Y88 HydrophobicContact CB-CD1 4.05Å; R30-Y88 HydrophobicContact CB-CD2 4.5Å; R30-Y88 HydrophobicContact CB-CE1 4.07Å; R30-Y88 HydrophobicContact CB-CE2 4.47Å; R30-Y88 HydrophobicContact CB-CG 4.28Å; L40-Y88 HydrophobicContact CD1-CD1 3.79Å; L40-Y88 HydrophobicContact CD1-CE1 3.47Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.47Å; F62-Y88 HydrophobicContact CE2-CE1 4.22Å; L75-Y88 HydrophobicContact CD2-CD1 3.9Å; L75-Y88 HydrophobicContact CD2-CE1 4Å; M77-Y88 HydrophobicContact CE-CE1 4.02Å; M77-Y88 HydrophobicContact CE-CE2 4.18Å; M77-Y88 HydrophobicContact SD-CD1 4.46Å; M77-Y88 HydrophobicContact SD-CE1 4.04Å; D84-Y88 WeakPolarHBondContact O-CE2 3.27Å; D84-Y88 PolarHBondContact O-OH 2.72Å; A86-Y88 HydrophobicContact CB-CD2 4.28Å; A86-Y88 HydrophobicContact CB-CE2 3.85Å; A86-Y88 WeakPolarHBondContact O-CD2 3.33Å; Y88-G106 CarbonylContact O-C 3.47Å; Y88-G106 WeakPolarHBondContact O-CA 3.45Å; Y88-T107 PolarHBondContact N-O 3.02Å; Y88-T107 PolarHBondContact O-N 2.97Å; Y88-V109 HydrophobicContact CD2-CB 3.94Å; Y88-V109 HydrophobicContact CD2-CG2 3.73Å; Y88-V109 HydrophobicContact CE2-CB 3.78Å; Y88-V109 HydrophobicContact CE2-CG2 3.98Å
89	Y	97.6	Very high	86.5	Confident	41 Å²	41	61.6 Å²	61.6	16%	0.161	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.4	-178.9	-52.1	-90.4	0	0	0	109.4	W28 V29 Q31 L37 T87 W103 G104 G106	W28-Y89 WeakPolarHBondContact CA-O 3.49Å; W28-Y89 VanDerWaalsContact CE3-O 3.31Å; V29-Y89 PolarHBondContact N-O 2.82Å; V29-Y89 PolarHBondContact O-N 3.05Å; Q31-Y89 HydrophobicContact CB-CE2 3.79Å; Q31-Y89 PolarHBondContact OE1-OH 2.77Å; L37-Y89 HydrophobicContact CD2-CD2 4.09Å; L37-Y89 HydrophobicContact CD2-CE2 4.01Å; T87-Y89 HydrophobicContact CG2-CD2 4.48Å; T87-Y89 HydrophobicContact CG2-CE1 3.82Å; T87-Y89 HydrophobicContact CG2-CE2 3.74Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.29Å; T87-Y89 WeakPolarHBondContact O-CE2 3.48Å; Y89-W103 HydrophobicContact CG-CE3 4.29Å; Y89-W103 HydrophobicContact CG-CZ3 4.47Å; Y89-G104 WeakPolarHBondContact CD1-O 3.46Å; Y89-G106 VanDerWaalsContact CE1-CA 3.48Å
90	C	96.2	Very high	85.9	Confident	7 Å²	7	60.5 Å²	60.5	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	144.7	160.2	52.6	0	0	0	0	108.8	C14 S27 W28 L73 G104	C14-C90 HydrophobicContact CB-CB 3.42Å; C14-C90 VanDerWaalsContact CB-CB 3.42Å; C14-C90 WeakPolarHBondContact CB-SG 3.35Å; C14-C90 WeakPolarHBondContact SG-CB 3.31Å; C14-C90 CovalentContact SG-SG 2.01Å; C14-C90 PolarHBondContact SG-SG 2.9Å; S27-C90 CarbonylContact O-C 3.52Å; S27-C90 WeakPolarHBondContact O-CA 3.35Å; W28-C90 HydrophobicContact CE3-CB 4.48Å; W28-C90 HydrophobicContact CH2-CB 4.38Å; W28-C90 HydrophobicContact CZ3-CB 4.36Å; L73-C90 HydrophobicContact CD2-CB 3.97Å; C90-G104 PolarHBondContact O-N 2.88Å
91	A	94.9	Very high	85.4	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.8	175.8	0	0	0	0	0	110.9	M26 S27 M100 Y102 W103	M26-A91 CarbonylContact C-O 3.45Å; M26-A91 WeakPolarHBondContact CA-O 3.43Å; M26-A91 WeakPolarHBondContact CE-O 3.12Å; S27-A91 PolarHBondContact N-O 2.9Å; S27-A91 PolarHBondContact O-N 2.84Å; A91-M100 HydrophobicContact CB-CB 4.06Å; A91-M100 HydrophobicContact CB-CG 3.9Å; A91-M100 HydrophobicContact CB-SD 3.85Å; A91-Y102 CarbonylContact C-O 3.56Å; A91-Y102 WeakPolarHBondContact CA-O 3.31Å; A91-W103 HydrophobicContact CB-CD2 3.98Å; A91-W103 HydrophobicContact CB-CE3 4.13Å; A91-W103 HydrophobicContact CB-CG 4.44Å; A91-W103 HydrophobicContact CB-CZ2 4.38Å; A91-W103 HydrophobicContact CB-CZ3 4.4Å
92	R	93.2	Very high	85.1	Confident	35 Å²	35	62 Å²	62	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.7	170.5	-178.4	-179	72.8	178.6	2.5	109.2	F19 Y24 M26 M100 D101 Y102	F19-R92 HydrophobicContact CE2-CG 4.16Å; F19-R92 HydrophobicContact CZ-CB 4.31Å; F19-R92 HydrophobicContact CZ-CG 4.4Å; Y24-R92 HydrophobicContact CD1-CG 3.84Å; Y24-R92 HydrophobicContact CD2-CG 4.47Å; Y24-R92 HydrophobicContact CG-CG 3.74Å; M26-R92 HydrophobicContact CE-CB 4.48Å; M26-R92 HydrophobicContact SD-CB 4.24Å; M26-R92 HydrophobicContact SD-CG 4.35Å; R92-M100 WeakPolarHBondContact O-CA 3.21Å; R92-D101 IonicContact CZ-OD1 3.18Å; R92-D101 VanDerWaalsContact CZ-OD1 3.28Å; R92-D101 IonicContact CZ-OD2 3.97Å; R92-D101 IonicContact NE-OD1 3.66Å; R92-D101 PolarHBondContact NE-OD1 3.46Å; R92-D101 IonicContact NE-OD2 3.28Å; R92-D101 IonicContact NH2-OD1 2.76Å; R92-D101 PolarHBondContact NH2-OD1 3.39Å; R92-D101 IonicContact NH2-OD2 3.97Å; R92-D101 PolarHBondContact NH2-OD2 2.84Å; R92-Y102 PolarHBondContact N-O 3.42Å
93	D	86.4	Confident	85	Confident	12 Å²	12	63.2 Å²	63.2	6%	0.064	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	144.3	168.5	-47.7	-54.5	0	0	0	110.7	Y25 S27 M100	Y25-D93 PolarHBondContact O-N 2.89Å; S27-D93 WeakPolarHBondContact CB-OD2 3.46Å; S27-D93 VanDerWaalsContact OG-CG 3.29Å; S27-D93 PolarHBondContact OG-OD1 3.11Å; S27-D93 PolarHBondContact OG-OD2 3.23Å; D93-M100 VanDerWaalsContact OD1-CE 3.27Å; D93-M100 WeakPolarHBondContact OD1-CE 3.43Å; D93-M100 WeakPolarHBondContact OD1-CG 3.27Å
94	M	73.1	Confident	85	Confident	87 Å²	87	58.7 Å²	58.7	43%	0.429	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	141.9	170.6	-68.8	-163.8	179.7	0	0	110.5	E96 G97 D101	M94-E96 PolarHBondContact O-N 3.27Å; M94-G97 PolarHBondContact O-N 3.13Å; M94-D101 WeakPolarHBondContact CE-OD2 3.42Å
95	R	64.8	Low	84.8	Confident	128 Å²	128	67.7 Å²	67.7	48%	0.483	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-28.4	-176.2	-82.5	-177.4	177	-177.7	0.8	114.8	D23	D23-R95 PolarHBondContact O-NE 3.31Å; D23-R95 IonicContact OD1-NH2 3.18Å; D23-R95 PolarHBondContact OD1-NH2 2.9Å
96	E	60.5	Low	84.7	Confident	202 Å²	202	67.9 Å²	67.9	94%	0.944	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	12.2	-174.7	-60.3	-170.3	174.9	0	0	114.1	M94	M94-E96 PolarHBondContact O-N 3.27Å
97	G	57.2	Low	84.6	Confident	30 Å²	30	69.4 Å²	69.4	31%	0.309	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.5	-175.5	0	0	0	0	0	113.7	M94 A99	M94-G97 PolarHBondContact O-N 3.13Å; G97-A99 PolarHBondContact O-N 3.12Å; G97-A99 VanDerWaalsContact O-N 3.12Å
98	Y	59.7	Low	84.6	Confident	239 Å²	239	70.6 Å²	70.6	94%	0.937	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	9.2	177.3	-58.1	-75.9	0	0	0	114.1
99	A	68.6	Low	84.5	Confident	56 Å²	56	70.6 Å²	70.6	46%	0.463	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.2	-177	0	0	0	0	0	110.6	G97	G97-A99 PolarHBondContact O-N 3.12Å; G97-A99 VanDerWaalsContact O-N 3.12Å
100	M	82.6	Confident	84.5	Confident	51 Å²	51	71.6 Å²	71.6	25%	0.251	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	103.2	170.4	-70.1	167.9	-165.7	0	0	109.3	V29 A91 R92 D93 W103	V29-M100 HydrophobicContact CG2-CE 4.17Å; V29-M100 HydrophobicContact CG2-SD 3.81Å; A91-M100 HydrophobicContact CB-CB 4.06Å; A91-M100 HydrophobicContact CB-CG 3.9Å; A91-M100 HydrophobicContact CB-SD 3.85Å; R92-M100 WeakPolarHBondContact O-CA 3.21Å; D93-M100 VanDerWaalsContact OD1-CE 3.27Å; D93-M100 WeakPolarHBondContact OD1-CE 3.43Å; D93-M100 WeakPolarHBondContact OD1-CG 3.27Å; M100-W103 HydrophobicContact CB-CZ2 3.58Å; M100-W103 HydrophobicContact CG-CZ2 4.19Å; M100-W103 PolarHBondContact O-NE1 3.14Å; M100-W103 HydrophobicContact SD-CH2 3.76Å; M100-W103 HydrophobicContact SD-CZ2 3.56Å; M100-W103 VanDerWaalsContact SD-CZ2 3.56Å
101	D	85.3	Confident	84.3	Confident	74 Å²	74	71.5 Å²	71.5	40%	0.396	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-14.7	-173.8	63.9	-9.9	0	0	0	113.9	R92 M94	R92-D101 IonicContact CZ-OD1 3.18Å; R92-D101 VanDerWaalsContact CZ-OD1 3.28Å; R92-D101 IonicContact CZ-OD2 3.97Å; R92-D101 IonicContact NE-OD1 3.66Å; R92-D101 PolarHBondContact NE-OD1 3.46Å; R92-D101 IonicContact NE-OD2 3.28Å; R92-D101 IonicContact NH2-OD1 2.76Å; R92-D101 PolarHBondContact NH2-OD1 3.39Å; R92-D101 IonicContact NH2-OD2 3.97Å; R92-D101 PolarHBondContact NH2-OD2 2.84Å; M94-D101 WeakPolarHBondContact CE-OD2 3.42Å
102	Y	89.3	Confident	84.1	Confident	82 Å²	82	74 Å²	74	32%	0.322	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.5	173.9	-173.2	-84.4	0	0	0	110.3	S17 F19 A91 R92	S17-Y102 PolarHBondContact O-OH 2.76Å; F19-Y102 HydrophobicContact CD1-CD1 4.46Å; F19-Y102 HydrophobicContact CD1-CD2 4.32Å; F19-Y102 HydrophobicContact CD1-CE2 4.45Å; F19-Y102 HydrophobicContact CD1-CG 4.32Å; F19-Y102 AromaticContact CE1-CD1 3.62Å; F19-Y102 HydrophobicContact CE1-CD1 3.62Å; F19-Y102 HydrophobicContact CE1-CD2 4.26Å; F19-Y102 AromaticContact CE1-CE1 3.75Å; F19-Y102 HydrophobicContact CE1-CE1 3.75Å; F19-Y102 HydrophobicContact CE1-CE2 4.35Å; F19-Y102 AromaticContact CE1-CG 3.9Å; F19-Y102 HydrophobicContact CE1-CG 3.9Å; F19-Y102 HydrophobicContact CZ-CD1 4.33Å; A91-Y102 CarbonylContact C-O 3.56Å; A91-Y102 WeakPolarHBondContact CA-O 3.31Å; R92-Y102 PolarHBondContact N-O 3.42Å
103	W	93.5	Very high	83.4	Confident	93 Å²	93	79.4 Å²	79.4	35%	0.352	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.7	-176.6	-69.4	75.2	0	0	0	111.2	V29 L37 Y89 A91 M100	V29-W103 HydrophobicContact CB-CH2 4.05Å; V29-W103 HydrophobicContact CB-CZ3 3.75Å; V29-W103 HydrophobicContact CG1-CH2 3.93Å; V29-W103 HydrophobicContact CG1-CZ3 3.87Å; V29-W103 HydrophobicContact CG2-CH2 3.78Å; V29-W103 HydrophobicContact CG2-CZ3 3.88Å; L37-W103 HydrophobicContact CD1-CH2 4.11Å; L37-W103 HydrophobicContact CD1-CZ3 4.38Å; L37-W103 HydrophobicContact CD2-CZ3 4.38Å; Y89-W103 HydrophobicContact CG-CE3 4.29Å; Y89-W103 HydrophobicContact CG-CZ3 4.47Å; A91-W103 HydrophobicContact CB-CD2 3.98Å; A91-W103 HydrophobicContact CB-CE3 4.13Å; A91-W103 HydrophobicContact CB-CG 4.44Å; A91-W103 HydrophobicContact CB-CZ2 4.38Å; A91-W103 HydrophobicContact CB-CZ3 4.4Å; M100-W103 HydrophobicContact CB-CZ2 3.58Å; M100-W103 HydrophobicContact CG-CZ2 4.19Å; M100-W103 PolarHBondContact O-NE1 3.14Å; M100-W103 HydrophobicContact SD-CH2 3.76Å; M100-W103 HydrophobicContact SD-CZ2 3.56Å; M100-W103 VanDerWaalsContact SD-CZ2 3.56Å
104	G	93.1	Very high	83.2	Confident	20 Å²	20	82.8 Å²	82.8	21%	0.206	44%	0.441	C	S	.	.			trans	-70.2	161.1	166.3	0	0	0	0	0	111.7	Y89 C90 G106	Y89-G104 WeakPolarHBondContact CD1-O 3.46Å; C90-G104 PolarHBondContact O-N 2.88Å; G104-G106 PolarHBondContact O-N 3.07Å; G104-G106 VanDerWaalsContact O-N 3.11Å
105	Q	93.3	Very high	83.8	Confident	190 Å²	190	82.5 Å²	82.5	89%	0.888	44%	0.441	S	S	*	.			trans	-65.6	-13.1	179.6	-66.4	-63.6	-40.6	0	0	114.2
106	G	94.9	Very high	84.8	Confident	32 Å²	32	80 Å²	80	33%	0.33	44%	0.439	S	S	.	.			trans	89.5	153.3	-177.5	0	0	0	0	0	113.2	Y88 Y89 G104	Y88-G106 CarbonylContact O-C 3.47Å; Y88-G106 WeakPolarHBondContact O-CA 3.45Å; Y89-G106 VanDerWaalsContact CE1-CA 3.48Å; G104-G106 PolarHBondContact O-N 3.07Å; G104-G106 VanDerWaalsContact O-N 3.11Å
107	T	96.6	Very high	86.3	Confident	36 Å²	36	72.8 Å²	72.8	22%	0.221	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	127	174	-170.1	0	0	0	0	109.7	G1 L12 Y88	G1-T107 VanDerWaalsContact CA-OG1 3.23Å; G1-T107 WeakPolarHBondContact CA-OG1 3.4Å; G1-T107 PolarHBondContact N-OG1 2.85Å; L12-T107 HydrophobicContact CD1-CG2 3.93Å; L12-T107 HydrophobicContact CD2-CG2 4Å; L12-T107 HydrophobicContact CG-CG2 4.48Å; Y88-T107 PolarHBondContact N-O 3.02Å; Y88-T107 PolarHBondContact O-N 2.97Å
108	S	96.8	Very high	88.1	Confident	66 Å²	66	75.5 Å²	75.5	46%	0.462	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.6	179.2	-168.9	0	0	0	0	110.7	G1 G2	G1-S108 CarbonylContact C-O 3.6Å; G1-S108 WeakPolarHBondContact CA-O 3.37Å; G2-S108 PolarHBondContact N-O 3.24Å
109	V	97.1	Very high	90	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.006	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.2	168.9	178.6	0	0	0	0	108	L10 L12 M77 S85 A86 Y88 V111	L10-V109 HydrophobicContact CD2-CG1 4Å; L10-V109 HydrophobicContact CD2-CG2 3.86Å; L12-V109 HydrophobicContact CD1-CG2 4.1Å; L12-V109 HydrophobicContact CD2-CG2 3.92Å; M77-V109 HydrophobicContact CE-CG1 4.11Å; S85-V109 CarbonylContact C-O 3.59Å; S85-V109 VanDerWaalsContact CA-O 3.31Å; S85-V109 WeakPolarHBondContact CA-O 3.35Å; A86-V109 PolarHBondContact N-O 3.43Å; A86-V109 PolarHBondContact O-N 3.29Å; Y88-V109 HydrophobicContact CD2-CB 3.94Å; Y88-V109 HydrophobicContact CD2-CG2 3.73Å; Y88-V109 HydrophobicContact CE2-CB 3.78Å; Y88-V109 HydrophobicContact CE2-CG2 3.98Å; V109-V111 HydrophobicContact CG1-CG2 4.32Å
110	T	96.5	Very high	91.5	Very high	62 Å²	62	65.2 Å²	65.2	38%	0.38	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127	177.7	-55.7	0	0	0	0	108.7	G2 L3 V4	G2-T110 PolarHBondContact O-N 2.86Å; L3-T110 WeakPolarHBondContact CA-O 3.5Å; L3-T110 HydrophobicContact CD1-CG2 3.95Å; V4-T110 PolarHBondContact N-O 3.29Å
111	V	93.9	Very high	92.2	Very high	5 Å²	5	66.3 Å²	66.3	3%	0.03	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	101.3	176.6	-172.6	0	0	0	0	108.8	V4 P6 L80 R81 S85 V109	V4-V111 VanDerWaalsContact O-CA 3.24Å; V4-V111 WeakPolarHBondContact O-CA 3.43Å; P6-V111 HydrophobicContact CB-CG1 4.44Å; P6-V111 HydrophobicContact CG-CG1 4.14Å; L80-V111 HydrophobicContact CB-CG1 4.24Å; L80-V111 HydrophobicContact CB-CG2 4.04Å; L80-V111 HydrophobicContact CD1-CG2 4.39Å; L80-V111 HydrophobicContact CD2-CG2 4.16Å; L80-V111 HydrophobicContact CG-CG2 4.43Å; R81-V111 WeakPolarHBondContact O-CB 3.44Å; S85-V111 PolarHBondContact OG-N 3.09Å; V109-V111 HydrophobicContact CG1-CG2 4.32Å
112	S	90.1	Very high	92.7	Very high	52 Å²	52	65.7 Å²	65.7	36%	0.364	38%	0.384	S	S	.	.			trans	-142.9	157.4	-179.5	68.2	0	0	0	0	111.1	L3 V4	L3-S112 WeakPolarHBondContact CD1-OG 3.41Å; V4-S112 PolarHBondContact O-N 2.64Å
113	S	77.9	Confident	93.1	Very high	149 Å²	149	64.2 Å²	64.2	100%	1.042	39%	0.389	S	S	*	.			trans	-77	0	171.8	-174.1	0	0	0	0	111.9

Retrieved 113 of 113 residues in 23.7 ms (Link to these results)

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