X5J5E0_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5E0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J5E0_MOUSE|X5J5E0
GDLVKPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLEWVATISSGGSYTYYPDSVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARLGGIHYYAMDYWGQGTSVTVSS
					

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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	61.6	Low	88.1	Confident	82 Å²	82	73.5 Å²	73.5	85%	0.845	46%	0.46	S	S	*	.				0	135.7	0	0	0	0	0	0	106.6	S107	G1-S107 CarbonylContact C-O 3.49Å; G1-S107 WeakPolarHBondContact CA-O 3.37Å
2	D	79.4	Confident	88.9	Confident	70 Å²	70	67.8 Å²	67.8	37%	0.374	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.6	-166.3	-59.4	-29.2	0	0	0	110.2	L10 S107 T109	D2-L10 HydrophobicContact CB-CD1 3.97Å; D2-L10 HydrophobicContact CB-CD2 3.63Å; D2-L10 HydrophobicContact CB-CG 4.48Å; D2-L10 WeakPolarHBondContact OD2-CD1 3.07Å; D2-S107 PolarHBondContact N-O 3.28Å; D2-T109 PolarHBondContact O-N 3.1Å
3	L	85.6	Confident	89.6	Confident	127 Å²	127	68.8 Å²	68.8	67%	0.665	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.2	175.6	-179.6	65.9	0	0	0	109.1	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.26Å; L3-T109 HydrophobicContact CD1-CG2 3.77Å; L3-S111 WeakPolarHBondContact CD1-OG 3.35Å
4	V	88.6	Confident	90.1	Very high	22 Å²	22	65.3 Å²	65.3	13%	0.133	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.1	-176.4	-168.1	0	0	0	0	109.8	L10 L78 T109 V110 S111	V4-L10 HydrophobicContact CG2-CB 4.18Å; V4-L10 HydrophobicContact CG2-CD2 4.13Å; V4-L78 HydrophobicContact CB-CD1 4.07Å; V4-L78 HydrophobicContact CG1-CD1 3.9Å; V4-L78 HydrophobicContact CG2-CD1 4.25Å; V4-T109 PolarHBondContact N-O 3.04Å; V4-V110 VanDerWaalsContact O-CA 3.26Å; V4-V110 WeakPolarHBondContact O-CA 3.15Å; V4-S111 PolarHBondContact O-N 2.94Å
5	K	88.9	Confident	90.5	Very high	149 Å²	149	66.2 Å²	66.2	65%	0.648	43%	0.429	S	S	*	.			trans	-74	150.4	173.3	-67.3	-174.5	176.5	-175	0	110.9	G7 G8	K5-G7 PolarHBondContact O-N 2.83Å; K5-G8 WeakPolarHBondContact O-CA 3.4Å; K5-G8 PolarHBondContact O-N 3.28Å
6	P	91.8	Very high	90.7	Very high	69 Å²	69	63.1 Å²	63.1	45%	0.448	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	139.5	170.1	-26.2	33.8	0	0	0	112.1	G8 L78 V110	P6-G8 PolarHBondContact O-N 3.34Å; P6-L78 WeakPolarHBondContact CA-O 3.42Å; P6-V110 HydrophobicContact CB-CG1 4.45Å; P6-V110 HydrophobicContact CG-CG1 4.12Å
7	G	91.3	Very high	90.8	Very high	57 Å²	57	65.5 Å²	65.5	59%	0.588	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-10.9	-173.1	0	0	0	0	0	114.6	K5 L78	K5-G7 PolarHBondContact O-N 2.83Å; G7-L78 PolarHBondContact N-O 3.45Å
8	G	93.4	Very high	90.7	Very high	22 Å²	22	66.2 Å²	66.2	23%	0.227	45%	0.45	C	S	.	.			trans	-69.2	177	176.7	0	0	0	0	0	113.8	K5 P6 S77 L78	K5-G8 WeakPolarHBondContact O-CA 3.4Å; K5-G8 PolarHBondContact O-N 3.28Å; P6-G8 PolarHBondContact O-N 3.34Å; G8-S77 PolarHBondContact O-N 3.29Å; G8-L78 PolarHBondContact O-N 3.25Å; G8-L78 VanDerWaalsContact O-N 3.09Å
9	S	95.5	Very high	90.6	Very high	71 Å²	71	64.9 Å²	64.9	50%	0.497	44%	0.436	S	S	.	.			trans	-130.3	148	177.6	-58.7	0	0	0	0	111	M75	S9-M75 CarbonylContact C-O 3.59Å; S9-M75 WeakPolarHBondContact CA-O 3.13Å; S9-M75 WeakPolarHBondContact CB-O 3.44Å
10	L	96	Very high	90.7	Very high	28 Å²	28	65.9 Å²	65.9	15%	0.147	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151	178.2	-179.9	62.6	0	0	0	110	D2 V4 L12 M75 L78 V108	D2-L10 HydrophobicContact CB-CD1 3.97Å; D2-L10 HydrophobicContact CB-CD2 3.63Å; D2-L10 HydrophobicContact CB-CG 4.48Å; D2-L10 WeakPolarHBondContact OD2-CD1 3.07Å; V4-L10 HydrophobicContact CG2-CB 4.18Å; V4-L10 HydrophobicContact CG2-CD2 4.13Å; L10-L12 HydrophobicContact CD2-CD2 3.77Å; L10-L12 HydrophobicContact CG-CD2 4.11Å; L10-M75 HydrophobicContact CB-CE 3.73Å; L10-M75 HydrophobicContact CD2-CE 3.6Å; L10-M75 HydrophobicContact CG-CE 3.86Å; L10-M75 PolarHBondContact N-O 2.96Å; L10-M75 PolarHBondContact O-N 2.84Å; L10-L78 HydrophobicContact CB-CD1 3.99Å; L10-V108 HydrophobicContact CD2-CG1 4.06Å; L10-V108 HydrophobicContact CD2-CG2 4.02Å
11	K	97.3	Very high	90.8	Very high	112 Å²	112	62.8 Å²	62.8	49%	0.487	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115	174.1	-171.4	176.5	179	178.6	0	110.3	L73	K11-L73 CarbonylContact C-O 3.52Å; K11-L73 WeakPolarHBondContact CA-O 3.24Å
12	L	97.8	Very high	92.3	Very high	5 Å²	5	61.6 Å²	61.6	3%	0.026	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	151.2	172.1	-53.4	-176.4	0	0	0	110.3	L10 W28 Y72 L73 M75 Y86 T106 V108	L10-L12 HydrophobicContact CD2-CD2 3.77Å; L10-L12 HydrophobicContact CG-CD2 4.11Å; L12-W28 HydrophobicContact CB-CH2 3.69Å; L12-W28 HydrophobicContact CB-CZ2 3.95Å; L12-W28 HydrophobicContact CB-CZ3 4.23Å; L12-W28 HydrophobicContact CD1-CE3 4.4Å; L12-W28 HydrophobicContact CD1-CH2 4.35Å; L12-W28 HydrophobicContact CD1-CZ3 4.04Å; L12-Y72 VanDerWaalsContact O-CA 3.26Å; L12-Y72 WeakPolarHBondContact O-CA 3.35Å; L12-L73 HydrophobicContact CB-CB 4.27Å; L12-L73 HydrophobicContact CD1-CD2 4.39Å; L12-L73 PolarHBondContact N-O 2.92Å; L12-L73 PolarHBondContact O-N 2.96Å; L12-M75 HydrophobicContact CD1-CE 4Å; L12-M75 HydrophobicContact CD1-SD 4.04Å; L12-M75 HydrophobicContact CD2-CE 4.1Å; L12-M75 HydrophobicContact CG-CE 3.81Å; L12-M75 HydrophobicContact CG-SD 4.31Å; L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 4.37Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; L12-T106 HydrophobicContact CD1-CG2 4.02Å; L12-T106 HydrophobicContact CD2-CG2 3.95Å; L12-T106 HydrophobicContact CG-CG2 4.49Å; L12-V108 HydrophobicContact CD1-CG2 4.15Å; L12-V108 HydrophobicContact CD2-CG2 3.94Å
13	S	97.6	Very high	92.9	Very high	81 Å²	81	61.7 Å²	61.7	57%	0.566	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.5	172.8	71.3	0	0	0	0	110.9	L71	S13-L71 CarbonylContact C-O 3.59Å; S13-L71 VanDerWaalsContact CA-O 3.29Å; S13-L71 WeakPolarHBondContact CA-O 3.26Å
14	C	96.9	Very high	93.1	Very high	19 Å²	19	59 Å²	59	13%	0.128	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	109	175.2	165.8	0	0	0	0	109.1	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; C14-L71 HydrophobicContact CB-CB 4.36Å; C14-L71 PolarHBondContact N-O 2.47Å; C14-L71 PolarHBondContact O-N 3.18Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.39Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.17Å
15	A	96.2	Very high	93.3	Very high	79 Å²	79	58.6 Å²	58.6	65%	0.653	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.3	173.1	0	0	0	0	0	109.2
16	A	93.1	Very high	93.6	Very high	17 Å²	17	51.8 Å²	51.8	14%	0.14	36%	0.357	C	S	.	.			trans	-89.4	139.7	177.5	0	0	0	0	0	111	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 4.03Å; A16-F19 HydrophobicContact CB-CE2 4.27Å; A16-F19 HydrophobicContact CB-CZ 3.63Å; A16-F21 HydrophobicContact CB-CB 4.29Å; A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.2Å; A16-N69 WeakPolarHBondContact CB-O 2.9Å; A16-N69 PolarHBondContact N-O 2.82Å
17	S	91.9	Very high	93.8	Very high	103 Å²	103	48.5 Å²	48.5	72%	0.72	34%	0.335	S	S	*	.			trans	-140.2	157.4	173.8	62.8	0	0	0	0	110	F19	S17-F19 WeakPolarHBondContact O-CD1 3.33Å
18	G	89.7	Confident	94.1	Very high	79 Å²	79	46 Å²	46	81%	0.814	31%	0.308	S	S	*	.	S	Bend	trans	83.7	2.8	177.9	0	0	0	0	0	116
19	F	89	Confident	94.3	Very high	41 Å²	41	45 Å²	45	18%	0.18	30%	0.298	C	S	.	.	S	Bend	trans	-156.3	163.2	172.9	62.1	-86	0	0	0	111.9	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 4.03Å; A16-F19 HydrophobicContact CB-CE2 4.27Å; A16-F19 HydrophobicContact CB-CZ 3.63Å; S17-F19 WeakPolarHBondContact O-CD1 3.33Å; F19-F21 HydrophobicContact CE2-CB 4.39Å; F19-F21 HydrophobicContact CE2-CD2 4.27Å; F19-F21 PolarHBondContact O-N 3.09Å; F19-Y24 HydrophobicContact CB-CE2 4.4Å; F19-Y24 AromaticContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CE2 4.14Å; F19-Y24 HydrophobicContact CD2-CG 4.49Å; F19-Y24 HydrophobicContact CE2-CD2 4.27Å; F19-M26 HydrophobicContact CE2-SD 4.1Å; F19-M26 HydrophobicContact CZ-CE 4.26Å; F19-M26 HydrophobicContact CZ-SD 4.06Å; F19-R90 HydrophobicContact CE2-CG 4.21Å; F19-R90 HydrophobicContact CZ-CB 4.44Å; F19-R90 HydrophobicContact CZ-CG 4.4Å
20	T	92	Very high	94.4	Very high	85 Å²	85	42.3 Å²	42.3	52%	0.521	28%	0.277	S	S	.	.			trans	-73.2	90.8	175.2	-50.2	0	0	0	0	110.6	S22 S23 Y24	T20-S22 PolarHBondContact O-N 2.65Å; T20-S22 VanDerWaalsContact O-N 3.14Å; T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.36Å; T20-S23 WeakPolarHBondContact O-CB 3.28Å; T20-S23 PolarHBondContact O-N 2.83Å; T20-Y24 VanDerWaalsContact O-CD2 3.28Å; T20-Y24 WeakPolarHBondContact O-CD2 3.28Å
21	F	92.9	Very high	94.4	Very high	1 Å²	1	44 Å²	44	0%	0.004	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-51.3	-39.3	-175	178.2	-101.9	0	0	0	114	A16 F19 S23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.29Å; A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.2Å; F19-F21 HydrophobicContact CE2-CB 4.39Å; F19-F21 HydrophobicContact CE2-CD2 4.27Å; F19-F21 PolarHBondContact O-N 3.09Å; F21-S23 PolarHBondContact O-N 2.94Å; F21-Y24 PolarHBondContact O-N 2.82Å; F21-M26 HydrophobicContact CD2-CG 4.12Å; F21-M26 HydrophobicContact CD2-SD 4.15Å; F21-M26 HydrophobicContact CE2-CE 4.13Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 4.03Å; F21-M26 HydrophobicContact CZ-CG 4.14Å; F21-R64 VanDerWaalsContact CD1-NH2 3.26Å; F21-R64 HydrophobicContact CE1-CB 4.14Å; F21-R64 VanDerWaalsContact CE1-NH2 3.26Å; F21-R64 HydrophobicContact CZ-CB 4.12Å; F21-R64 PolarHBondContact O-NH2 2.64Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.49Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.48Å; F21-N69 HydrophobicContact CB-CB 3.91Å; F21-N69 WeakPolarHBondContact CB-OD1 3.42Å; F21-N69 HydrophobicContact CD1-CB 4.43Å; F21-N69 HydrophobicContact CG-CB 4.19Å; F21-L71 HydrophobicContact CE2-CB 4.3Å; F21-L71 HydrophobicContact CZ-CB 4.21Å
22	S	93	Very high	94.3	Very high	56 Å²	56	39.2 Å²	39.2	39%	0.392	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-66.2	-16.3	178.8	56.7	0	0	0	0	114.3	T20 S45	T20-S22 PolarHBondContact O-N 2.65Å; T20-S22 VanDerWaalsContact O-N 3.14Å; S22-S45 WeakPolarHBondContact O-CB 3.43Å
23	S	91.6	Very high	94	Very high	73 Å²	73	44 Å²	44	51%	0.51	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-86	-13.3	178.3	-56.4	0	0	0	0	113.5	T20 F21	T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.36Å; T20-S23 WeakPolarHBondContact O-CB 3.28Å; T20-S23 PolarHBondContact O-N 2.83Å; F21-S23 PolarHBondContact O-N 2.94Å
24	Y	91.6	Very high	93.8	Very high	70 Å²	70	45.1 Å²	45.1	28%	0.275	30%	0.295	S	S	.	.	S	Bend	trans	-121.2	146.3	-171.9	-61.3	-86.3	0	0	0	113	F19 T20 F21 S45 R64 R90	F19-Y24 HydrophobicContact CB-CE2 4.4Å; F19-Y24 AromaticContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CE2 4.14Å; F19-Y24 HydrophobicContact CD2-CG 4.49Å; F19-Y24 HydrophobicContact CE2-CD2 4.27Å; T20-Y24 VanDerWaalsContact O-CD2 3.28Å; T20-Y24 WeakPolarHBondContact O-CD2 3.28Å; F21-Y24 PolarHBondContact O-N 2.82Å; Y24-S45 WeakPolarHBondContact O-CA 3.4Å; Y24-R64 PolarHBondContact O-NH1 2.95Å; Y24-R90 HydrophobicContact CD1-CG 4.09Å; Y24-R90 HydrophobicContact CG-CG 3.92Å
25	G	92.9	Very high	93.4	Very high	13 Å²	13	52.2 Å²	52.2	13%	0.134	32%	0.324	C	S	.	.			trans	-71	151	162.2	0	0	0	0	0	110.2	I43 L91	G25-I43 CarbonylContact C-O 3.48Å; G25-I43 VanDerWaalsContact CA-O 3.24Å; G25-I43 WeakPolarHBondContact CA-O 3.44Å; G25-L91 WeakPolarHBondContact O-CB 3.38Å; G25-L91 PolarHBondContact O-N 2.93Å
26	M	95.2	Very high	93.3	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.03	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.9	-176.7	-63	-64.8	-61	0	0	109.6	F19 F21 T42 I43 L71 A89 R90	F19-M26 HydrophobicContact CE2-SD 4.1Å; F19-M26 HydrophobicContact CZ-CE 4.26Å; F19-M26 HydrophobicContact CZ-SD 4.06Å; F21-M26 HydrophobicContact CD2-CG 4.12Å; F21-M26 HydrophobicContact CD2-SD 4.15Å; F21-M26 HydrophobicContact CE2-CE 4.13Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 4.03Å; F21-M26 HydrophobicContact CZ-CG 4.14Å; M26-T42 WeakPolarHBondContact O-CA 3.27Å; M26-I43 HydrophobicContact CB-CG2 4.2Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 2.8Å; M26-L71 HydrophobicContact CB-CD1 3.77Å; M26-L71 HydrophobicContact CB-CD2 3.83Å; M26-L71 HydrophobicContact CB-CG 4.34Å; M26-A89 CarbonylContact C-O 3.56Å; M26-A89 WeakPolarHBondContact CA-O 3.42Å; M26-R90 HydrophobicContact SD-CB 4.08Å; M26-R90 HydrophobicContact SD-CG 4.15Å
27	S	96	Very high	93.3	Very high	0 Å²	0	59 Å²	59	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	155.4	179.7	-57.7	0	0	0	0	111.5	A41 T42 C88 A89 M99	S27-A41 CarbonylContact C-O 3.6Å; S27-A41 WeakPolarHBondContact CA-O 3.5Å; S27-A41 WeakPolarHBondContact CB-O 3.44Å; S27-T42 PolarHBondContact OG-OG1 2.73Å; S27-C88 CarbonylContact O-C 3.48Å; S27-C88 WeakPolarHBondContact O-CA 3.4Å; S27-A89 PolarHBondContact N-O 3.01Å; S27-A89 PolarHBondContact O-N 3.32Å; S27-M99 VanDerWaalsContact CB-CE 3.47Å
28	W	97.6	Very high	93.5	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.015	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.3	161.4	-75.1	94.6	0	0	0	109.1	L12 C14 V40 A41 L71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.69Å; L12-W28 HydrophobicContact CB-CZ2 3.95Å; L12-W28 HydrophobicContact CB-CZ3 4.23Å; L12-W28 HydrophobicContact CD1-CE3 4.4Å; L12-W28 HydrophobicContact CD1-CH2 4.35Å; L12-W28 HydrophobicContact CD1-CZ3 4.04Å; C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; W28-V40 HydrophobicContact CB-CB 4.04Å; W28-V40 HydrophobicContact CB-CG1 4.44Å; W28-V40 WeakPolarHBondContact O-CA 3.2Å; W28-V40 WeakPolarHBondContact O-CB 3.3Å; W28-V40 PolarHBondContact O-N 3.3Å; W28-A41 PolarHBondContact N-O 3.01Å; W28-A41 PolarHBondContact O-N 3.11Å; W28-L71 HydrophobicContact CD2-CD2 4.48Å; W28-L71 HydrophobicContact CG-CD2 4.34Å; W28-L71 HydrophobicContact CZ2-CD2 4.5Å; W28-L71 VanDerWaalsContact NE1-CD2 3.27Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 4.13Å; W28-L73 HydrophobicContact CD2-CD2 4.28Å; W28-L73 HydrophobicContact CG-CB 4.11Å; W28-L73 HydrophobicContact CG-CD1 4.48Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.44Å; W28-L73 HydrophobicContact CZ2-CB 4.38Å; W28-Y87 CarbonylContact C-O 3.5Å; W28-Y87 WeakPolarHBondContact CA-O 3.33Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.29Å
29	V	96.8	Very high	93.7	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.3	174.6	-176.5	0	0	0	0	107	L37 E38 W39 Y86 Y87 M99 W102	V29-L37 HydrophobicContact CG1-CB 4.34Å; V29-L37 HydrophobicContact CG1-CD2 4.03Å; V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.21Å; V29-E38 VanDerWaalsContact CG1-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.42Å; V29-W39 HydrophobicContact CG2-CD2 4.46Å; V29-W39 HydrophobicContact CG2-CE3 4.36Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y87 PolarHBondContact N-O 2.99Å; V29-Y87 PolarHBondContact O-N 3.1Å; V29-M99 HydrophobicContact CG2-CE 3.29Å; V29-M99 HydrophobicContact CG2-SD 3.8Å; V29-W102 HydrophobicContact CB-CH2 3.97Å; V29-W102 HydrophobicContact CB-CZ3 3.73Å; V29-W102 HydrophobicContact CG1-CH2 3.85Å; V29-W102 HydrophobicContact CG1-CZ3 3.87Å; V29-W102 HydrophobicContact CG2-CH2 3.85Å; V29-W102 HydrophobicContact CG2-CZ3 4Å
30	R	97.1	Very high	94.1	Very high	13 Å²	13	54.3 Å²	54.3	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145	173	71.1	-177.5	-178.6	-176.8	6.2	111.1	L37 E38 V40 D82 A84 M85 Y86	R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.4Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 2.9Å; R30-E38 VanDerWaalsContact CZ-OE2 3.28Å; R30-E38 PolarHBondContact N-O 3.13Å; R30-E38 IonicContact NE-OE2 3.85Å; R30-E38 PolarHBondContact NE-OE2 2.99Å; R30-E38 IonicContact NH2-OE2 3.79Å; R30-E38 PolarHBondContact NH2-OE2 3.31Å; R30-E38 PolarHBondContact O-N 3.05Å; R30-V40 HydrophobicContact CB-CG2 3.78Å; R30-V40 HydrophobicContact CG-CG2 3.61Å; R30-D82 IonicContact NH1-OD1 3.13Å; R30-D82 PolarHBondContact NH1-OD1 2.93Å; R30-A84 HydrophobicContact CB-CB 3.81Å; R30-A84 HydrophobicContact CG-CB 4.15Å; R30-M85 CarbonylContact C-O 3.6Å; R30-M85 WeakPolarHBondContact CA-O 3.29Å; R30-Y86 HydrophobicContact CB-CD1 3.86Å; R30-Y86 HydrophobicContact CB-CD2 4.41Å; R30-Y86 HydrophobicContact CB-CE1 3.81Å; R30-Y86 HydrophobicContact CB-CE2 4.34Å; R30-Y86 HydrophobicContact CB-CG 4.17Å; R30-Y86 HydrophobicContact CG-CE1 4.45Å; R30-Y86 PolarHBondContact NH1-OH 2.97Å
31	Q	97	Very high	94.3	Very high	64 Å²	64	50.3 Å²	50.3	30%	0.299	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.1	167.5	-171	175.1	45	0	0	108.7	R36 L37 A84 M85 Y87	Q31-R36 WeakPolarHBondContact CA-O 3.32Å; Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 4.18Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.07Å; Q31-M85 HydrophobicContact CB-CB 4.42Å; Q31-M85 PolarHBondContact N-O 3.46Å; Q31-M85 PolarHBondContact O-N 3.46Å; Q31-Y87 HydrophobicContact CB-CE2 3.78Å
32	T	94.7	Very high	94.4	Very high	12 Å²	12	50.9 Å²	50.9	7%	0.074	26%	0.257	C	S	.	.			trans	-71	165	177.3	52.3	0	0	0	0	111.1	D34 K35 R36 E38	T32-D34 WeakPolarHBondContact CB-OD1 3.44Å; T32-D34 PolarHBondContact O-N 2.88Å; T32-D34 PolarHBondContact OG1-OD1 3.37Å; T32-K35 WeakPolarHBondContact O-CA 3.1Å; T32-K35 PolarHBondContact O-N 2.9Å; T32-R36 PolarHBondContact N-O 3.18Å; T32-R36 WeakPolarHBondContact OG1-CB 3.33Å; T32-R36 PolarHBondContact OG1-N 3.19Å; T32-R36 PolarHBondContact OG1-O 2.79Å; T32-R36 VanDerWaalsContact OG1-O 3.09Å; T32-E38 HydrophobicContact CG2-CG 4.42Å
33	P	91.8	Very high	94.6	Very high	105 Å²	105	48.6 Å²	48.6	68%	0.682	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.2	-179.4	-27.4	36.6	0	0	0	114.7	K35 T83	P33-K35 PolarHBondContact O-N 2.96Å; P33-T83 WeakPolarHBondContact CD-O 3.02Å
34	D	93.1	Very high	94.7	Very high	105 Å²	105	46.3 Å²	46.3	56%	0.561	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	11.6	172	64.3	-40	0	0	0	113.5	T32 R36	T32-D34 WeakPolarHBondContact CB-OD1 3.44Å; T32-D34 PolarHBondContact O-N 2.88Å; T32-D34 PolarHBondContact OG1-OD1 3.37Å; D34-R36 PolarHBondContact O-N 2.93Å
35	K	89.2	Confident	94.7	Very high	167 Å²	167	45.4 Å²	45.4	73%	0.726	23%	0.229	S	C	*	.			trans	66.8	13.6	177.1	-52.6	-178.3	179.9	179.8	0	115.1	T32 P33	T32-K35 WeakPolarHBondContact O-CA 3.1Å; T32-K35 PolarHBondContact O-N 2.9Å; P33-K35 PolarHBondContact O-N 2.96Å
36	R	93	Very high	94.4	Very high	140 Å²	140	47.6 Å²	47.6	53%	0.528	25%	0.251	S	S	.	.			trans	-74.7	130.2	173.2	-177.4	171.1	70.2	-153.7	1.6	110.2	Q31 T32 D34 E38	Q31-R36 WeakPolarHBondContact CA-O 3.32Å; T32-R36 PolarHBondContact N-O 3.18Å; T32-R36 WeakPolarHBondContact OG1-CB 3.33Å; T32-R36 PolarHBondContact OG1-N 3.19Å; T32-R36 PolarHBondContact OG1-O 2.79Å; T32-R36 VanDerWaalsContact OG1-O 3.09Å; D34-R36 PolarHBondContact O-N 2.93Å; R36-E38 HydrophobicContact CG-CG 4.17Å; R36-E38 IonicContact CZ-OE1 3.28Å; R36-E38 IonicContact NE-OE1 2.88Å; R36-E38 PolarHBondContact NE-OE1 3.09Å; R36-E38 IonicContact NH2-OE1 2.79Å; R36-E38 PolarHBondContact NH2-OE1 3.24Å
37	L	93.7	Very high	94.2	Very high	99 Å²	99	48.7 Å²	48.7	52%	0.518	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	126	170.5	-72.6	170.5	0	0	0	109.6	V29 R30 Q31	V29-L37 HydrophobicContact CG1-CB 4.34Å; V29-L37 HydrophobicContact CG1-CD2 4.03Å; R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.4Å; Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 4.18Å
38	E	94.9	Very high	93.9	Very high	34 Å²	34	54.2 Å²	54.2	16%	0.159	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.1	179.7	-64.4	-176.5	170.6	0	0	110.1	V29 R30 T32 R36	V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.21Å; V29-E38 VanDerWaalsContact CG1-O 3.28Å; V29-E38 WeakPolarHBondContact CG1-O 3.42Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 2.9Å; R30-E38 VanDerWaalsContact CZ-OE2 3.28Å; R30-E38 PolarHBondContact N-O 3.13Å; R30-E38 IonicContact NE-OE2 3.85Å; R30-E38 PolarHBondContact NE-OE2 2.99Å; R30-E38 IonicContact NH2-OE2 3.79Å; R30-E38 PolarHBondContact NH2-OE2 3.31Å; R30-E38 PolarHBondContact O-N 3.05Å; T32-E38 HydrophobicContact CG2-CG 4.42Å; R36-E38 HydrophobicContact CG-CG 4.17Å; R36-E38 IonicContact CZ-OE1 3.28Å; R36-E38 IonicContact NE-OE1 2.88Å; R36-E38 PolarHBondContact NE-OE1 3.09Å; R36-E38 IonicContact NH2-OE1 2.79Å; R36-E38 PolarHBondContact NH2-OE1 3.24Å
39	W	94.4	Very high	93.8	Very high	91 Å²	91	60.6 Å²	60.6	35%	0.345	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	140.9	170.1	-141.2	-86.7	0	0	0	110.3	V29 T42 P53 L91 M99	V29-W39 HydrophobicContact CG2-CD2 4.46Å; V29-W39 HydrophobicContact CG2-CE3 4.36Å; W39-T42 PolarHBondContact NE1-OG1 3.34Å; W39-P53 VanDerWaalsContact O-CG 3.27Å; W39-P53 WeakPolarHBondContact O-CG 3.48Å; W39-L91 HydrophobicContact CH2-CD2 4.17Å; W39-L91 HydrophobicContact CZ2-CD2 3.88Å; W39-M99 HydrophobicContact CD2-CE 4Å; W39-M99 HydrophobicContact CE3-CE 3.8Å; W39-M99 HydrophobicContact CE3-SD 4.32Å; W39-M99 HydrophobicContact CH2-CE 2.97Å; W39-M99 HydrophobicContact CH2-CG 4.04Å; W39-M99 HydrophobicContact CH2-SD 3.57Å; W39-M99 VanDerWaalsContact CH2-SD 3.57Å; W39-M99 HydrophobicContact CZ2-CE 3.14Å; W39-M99 HydrophobicContact CZ2-SD 4.34Å; W39-M99 HydrophobicContact CZ3-CE 3.29Å; W39-M99 HydrophobicContact CZ3-CG 4.46Å; W39-M99 HydrophobicContact CZ3-SD 3.52Å; W39-M99 VanDerWaalsContact CZ3-SD 3.52Å
40	V	96.9	Very high	93.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-49.6	-179	179.8	0	0	0	0	111.2	W28 R30 P53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.04Å; W28-V40 HydrophobicContact CB-CG1 4.44Å; W28-V40 WeakPolarHBondContact O-CA 3.2Å; W28-V40 WeakPolarHBondContact O-CB 3.3Å; W28-V40 PolarHBondContact O-N 3.3Å; R30-V40 HydrophobicContact CB-CG2 3.78Å; R30-V40 HydrophobicContact CG-CG2 3.61Å; V40-P53 WeakPolarHBondContact O-CD 3.27Å; V40-V56 HydrophobicContact CG1-CG2 4.38Å; V40-V56 VanDerWaalsContact O-CG2 3.24Å; V40-V56 WeakPolarHBondContact O-CG2 3.41Å; V40-F60 HydrophobicContact CG1-CD2 3.66Å; V40-F60 HydrophobicContact CG1-CE2 4.09Å; V40-L73 HydrophobicContact CG1-CD1 4.42Å; V40-L73 HydrophobicContact CG1-CD2 3.84Å; V40-Y86 HydrophobicContact CG1-CE1 4.36Å; V40-Y86 HydrophobicContact CG2-CD1 4.35Å; V40-Y86 HydrophobicContact CG2-CE1 4.04Å
41	A	97.3	Very high	93.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	154.7	177.8	0	0	0	0	0	111	S27 W28 Y51 Y52 I62 L73	S27-A41 CarbonylContact C-O 3.6Å; S27-A41 WeakPolarHBondContact CA-O 3.5Å; S27-A41 WeakPolarHBondContact CB-O 3.44Å; W28-A41 PolarHBondContact N-O 3.01Å; W28-A41 PolarHBondContact O-N 3.11Å; A41-Y51 CarbonylContact C-O 3.56Å; A41-Y51 VanDerWaalsContact CA-O 3.27Å; A41-Y51 WeakPolarHBondContact CA-O 3.5Å; A41-Y52 HydrophobicContact CB-CD1 3.67Å; A41-Y52 HydrophobicContact CB-CE1 3.71Å; A41-I62 HydrophobicContact CB-CB 3.77Å; A41-I62 HydrophobicContact CB-CD1 3.91Å; A41-I62 HydrophobicContact CB-CG1 4.38Å; A41-I62 HydrophobicContact CB-CG2 4.01Å; A41-L73 HydrophobicContact CB-CD1 4.18Å
42	T	95.6	Very high	93.7	Very high	14 Å²	14	66.9 Å²	66.9	9%	0.086	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.1	173.3	-68.5	0	0	0	0	110.6	M26 S27 W39 T50 Y51 L91	M26-T42 WeakPolarHBondContact O-CA 3.27Å; S27-T42 PolarHBondContact OG-OG1 2.73Å; W39-T42 PolarHBondContact NE1-OG1 3.34Å; T42-T50 CarbonylContact O-C 3.42Å; T42-T50 WeakPolarHBondContact O-CA 3.35Å; T42-Y51 PolarHBondContact N-O 2.88Å; T42-Y51 PolarHBondContact O-N 3.28Å; T42-L91 HydrophobicContact CG2-CD1 3.54Å
43	I	95.6	Very high	93.7	Very high	7 Å²	7	67.3 Å²	67.3	4%	0.036	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.4	171.3	-170.4	160.3	0	0	0	110.5	G25 M26 Y49 T50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.48Å; G25-I43 VanDerWaalsContact CA-O 3.24Å; G25-I43 WeakPolarHBondContact CA-O 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.2Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 2.8Å; I43-Y49 WeakPolarHBondContact CA-O 3.37Å; I43-T50 HydrophobicContact CB-CG2 4.17Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.87Å; I43-I62 HydrophobicContact CB-CD1 3.99Å; I43-I62 HydrophobicContact CB-CG1 4.23Å; I43-I62 HydrophobicContact CB-CG2 3.99Å; I43-I62 HydrophobicContact CG2-CD1 3.71Å; I43-I62 HydrophobicContact CG2-CG1 4.04Å; I43-R64 HydrophobicContact CD1-CB 4.25Å; I43-R64 HydrophobicContact CD1-CG 3.74Å; I43-R64 HydrophobicContact CG1-CG 4.4Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å
44	S	93.7	Very high	93.9	Very high	26 Å²	26	69 Å²	69	18%	0.182	36%	0.362	C	S	.	.			trans	-68.4	165.2	176.4	66.2	0	0	0	0	112.4	G46 G47 S48 Y49 R64	S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3.09Å; S44-G47 PolarHBondContact O-N 2.93Å; S44-G47 PolarHBondContact OG-N 3.02Å; S44-S48 PolarHBondContact OG-N 2.84Å; S44-S48 PolarHBondContact OG-OG 2.77Å; S44-Y49 PolarHBondContact N-O 2.75Å; S44-Y49 PolarHBondContact OG-N 2.96Å; S44-R64 PolarHBondContact O-NH1 3Å
45	S	91.8	Very high	93.9	Very high	51 Å²	51	67 Å²	67	36%	0.357	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-43.6	177.2	51.6	0	0	0	0	113.6	S22 Y24 R64	S22-S45 WeakPolarHBondContact O-CB 3.43Å; Y24-S45 WeakPolarHBondContact O-CA 3.4Å; S45-R64 PolarHBondContact O-NE 3.2Å; S45-R64 PolarHBondContact O-NH1 3.4Å; S45-R64 PolarHBondContact O-NH2 2.87Å
46	G	86.3	Confident	94.3	Very high	59 Å²	59	59.1 Å²	59.1	61%	0.608	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.4	176.9	0	0	0	0	0	115	S44 S48	S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3.09Å; G46-S48 PolarHBondContact O-N 2.76Å
47	G	91.3	Very high	94.4	Very high	29 Å²	29	58.9 Å²	58.9	30%	0.299	33%	0.325	S	S	.	.	S	Bend	trans	75.5	1.1	-176.4	0	0	0	0	0	115.5	S44 Y49	S44-G47 PolarHBondContact O-N 2.93Å; S44-G47 PolarHBondContact OG-N 3.02Å; G47-Y49 VanDerWaalsContact C-N 3.31Å; G47-Y49 PolarHBondContact O-N 2.74Å
48	S	91.1	Very high	94.5	Very high	116 Å²	116	58.2 Å²	58.2	81%	0.811	34%	0.342	S	S	*	.			trans	-72	-22.7	-178.5	55.8	0	0	0	0	114.1	S44 G46	S44-S48 PolarHBondContact OG-N 2.84Å; S44-S48 PolarHBondContact OG-OG 2.77Å; G46-S48 PolarHBondContact O-N 2.76Å
49	Y	93.8	Very high	94.6	Very high	137 Å²	137	58.1 Å²	58.1	54%	0.537	34%	0.34	S	S	.	.			trans	-122.5	132.6	-179.4	174.8	-94.6	0	0	0	109.8	I43 S44 G47	I43-Y49 WeakPolarHBondContact CA-O 3.37Å; S44-Y49 PolarHBondContact N-O 2.75Å; S44-Y49 PolarHBondContact OG-N 2.96Å; G47-Y49 VanDerWaalsContact C-N 3.31Å; G47-Y49 PolarHBondContact O-N 2.74Å
50	T	96.3	Very high	94.8	Very high	59 Å²	59	54 Å²	54	36%	0.362	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.8	170.6	57.1	0	0	0	0	110.6	T42 I43 I62	T42-T50 CarbonylContact O-C 3.42Å; T42-T50 WeakPolarHBondContact O-CA 3.35Å; I43-T50 HydrophobicContact CB-CG2 4.17Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.87Å; T50-I62 HydrophobicContact CG2-CG2 3.72Å
51	Y	95.6	Very high	94.8	Very high	110 Å²	110	57.5 Å²	57.5	43%	0.431	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.5	175.1	172.3	-96.7	0	0	0	110.2	A41 T42	A41-Y51 CarbonylContact C-O 3.56Å; A41-Y51 VanDerWaalsContact CA-O 3.27Å; A41-Y51 WeakPolarHBondContact CA-O 3.5Å; T42-Y51 PolarHBondContact N-O 2.88Å; T42-Y51 PolarHBondContact O-N 3.28Å
52	Y	96.9	Very high	94.9	Very high	43 Å²	43	57.8 Å²	57.8	17%	0.169	35%	0.348	C	S	.	.			trans	-138.7	134.1	175.7	-54.4	-88.7	0	0	0	109.1	A41 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.67Å; A41-Y52 HydrophobicContact CB-CE1 3.71Å; Y52-F60 VanDerWaalsContact CE1-O 3.25Å; Y52-F60 WeakPolarHBondContact CE1-O 3.26Å; Y52-T61 WeakPolarHBondContact OH-CA 3.24Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.97Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.45Å; Y52-I62 PolarHBondContact OH-N 3.36Å
53	P	95.9	Very high	95	Very high	22 Å²	22	59.4 Å²	59.4	14%	0.143	36%	0.36	C	S	.	.			trans	-72.2	157.7	168	28.1	-26	0	0	0	111	W39 V40 S55 V56 K57	W39-P53 VanDerWaalsContact O-CG 3.27Å; W39-P53 WeakPolarHBondContact O-CG 3.48Å; V40-P53 WeakPolarHBondContact O-CD 3.27Å; P53-S55 PolarHBondContact O-N 2.69Å; P53-S55 VanDerWaalsContact O-N 3.09Å; P53-V56 HydrophobicContact CG-CG2 4.02Å; P53-V56 PolarHBondContact O-N 3.26Å; P53-V56 VanDerWaalsContact O-N 3.13Å; P53-K57 PolarHBondContact O-N 2.94Å
54	D	95.4	Very high	95.1	Very high	140 Å²	140	60.8 Å²	60.8	75%	0.749	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.4	-174.9	-65.7	-32.1	0	0	0	113.5	V56	D54-V56 PolarHBondContact O-N 3.06Å
55	S	93.6	Very high	95.2	Very high	64 Å²	64	61.7 Å²	61.7	45%	0.448	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.8	177.5	56.3	0	0	0	0	114.1	P53 R59	P53-S55 PolarHBondContact O-N 2.69Å; P53-S55 VanDerWaalsContact O-N 3.09Å; S55-R59 PolarHBondContact O-NH2 2.96Å
56	V	96.4	Very high	95.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-6	-175.7	-58.3	0	0	0	0	113.6	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG2 4.38Å; V40-V56 VanDerWaalsContact O-CG2 3.24Å; V40-V56 WeakPolarHBondContact O-CG2 3.41Å; P53-V56 HydrophobicContact CG-CG2 4.02Å; P53-V56 PolarHBondContact O-N 3.26Å; P53-V56 VanDerWaalsContact O-N 3.13Å; D54-V56 PolarHBondContact O-N 3.06Å; V56-G58 PolarHBondContact O-N 2.86Å; V56-R59 PolarHBondContact O-N 3.28Å; V56-F60 HydrophobicContact CB-CB 4.15Å; V56-F60 HydrophobicContact CB-CD1 4.48Å; V56-F60 HydrophobicContact CB-CD2 3.66Å; V56-F60 HydrophobicContact CB-CE2 4.11Å; V56-F60 HydrophobicContact CB-CG 3.86Å; V56-F60 HydrophobicContact CG1-CD2 3.67Å; V56-F60 HydrophobicContact CG1-CE2 3.62Å; V56-F60 HydrophobicContact CG1-CG 4.3Å; V56-F60 HydrophobicContact CG1-CZ 4.2Å; V56-F60 HydrophobicContact CG2-CB 4.46Å; V56-F60 HydrophobicContact CG2-CD2 4.26Å; V56-F60 PolarHBondContact O-N 3.09Å
57	K	95.2	Very high	95.8	Very high	136 Å²	136	64.1 Å²	64.1	59%	0.591	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	132.7	179.7	-165.9	174	-173.6	177.8	0	111	P53 R59	P53-K57 PolarHBondContact O-N 2.94Å; K57-R59 PolarHBondContact O-N 2.68Å
58	G	96	Very high	96	Very high	84 Å²	84	69.1 Å²	69.1	87%	0.866	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-7	-177.3	0	0	0	0	0	115.2	V56	V56-G58 PolarHBondContact O-N 2.86Å
59	R	97.6	Very high	96.3	Very high	32 Å²	32	66.8 Å²	66.8	12%	0.121	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-39.8	176.7	-61.9	-167.8	-57.1	117.6	0.4	112.2	S55 V56 K57 S76 S77 D82	S55-R59 PolarHBondContact O-NH2 2.96Å; V56-R59 PolarHBondContact O-N 3.28Å; K57-R59 PolarHBondContact O-N 2.68Å; R59-S76 WeakPolarHBondContact CB-O 3.17Å; R59-S76 WeakPolarHBondContact O-CB 3.38Å; R59-S76 PolarHBondContact O-N 2.88Å; R59-S77 PolarHBondContact NH1-O 2.92Å; R59-D82 IonicContact CZ-OD1 3.44Å; R59-D82 IonicContact CZ-OD2 2.65Å; R59-D82 IonicContact NH1-OD1 2.96Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 2.79Å; R59-D82 IonicContact NH2-OD1 3.31Å; R59-D82 PolarHBondContact NH2-OD1 3.06Å; R59-D82 IonicContact NH2-OD2 2.83Å; R59-D82 PolarHBondContact NH2-OD2 2.79Å
60	F	98.1	Very high	96.5	Very high	4 Å²	4	61 Å²	61	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.8	-175.6	-65	7.3	0	0	0	110.9	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.66Å; V40-F60 HydrophobicContact CG1-CE2 4.09Å; Y52-F60 VanDerWaalsContact CE1-O 3.25Å; Y52-F60 WeakPolarHBondContact CE1-O 3.26Å; V56-F60 HydrophobicContact CB-CB 4.15Å; V56-F60 HydrophobicContact CB-CD1 4.48Å; V56-F60 HydrophobicContact CB-CD2 3.66Å; V56-F60 HydrophobicContact CB-CE2 4.11Å; V56-F60 HydrophobicContact CB-CG 3.86Å; V56-F60 HydrophobicContact CG1-CD2 3.67Å; V56-F60 HydrophobicContact CG1-CE2 3.62Å; V56-F60 HydrophobicContact CG1-CG 4.3Å; V56-F60 HydrophobicContact CG1-CZ 4.2Å; V56-F60 HydrophobicContact CG2-CB 4.46Å; V56-F60 HydrophobicContact CG2-CD2 4.26Å; V56-F60 PolarHBondContact O-N 3.09Å; F60-L73 HydrophobicContact CB-CD1 4.24Å; F60-L73 HydrophobicContact CD2-CD2 4.29Å; F60-Q74 CarbonylContact C-O 3.36Å; F60-Q74 VanDerWaalsContact CA-O 3.24Å; F60-Q74 WeakPolarHBondContact CA-O 3.34Å; F60-M75 HydrophobicContact CD1-CB 3.77Å; F60-M75 HydrophobicContact CD1-CG 4.07Å; F60-M75 HydrophobicContact CD2-CG 3.96Å; F60-M75 HydrophobicContact CD2-SD 4.48Å; F60-M75 HydrophobicContact CE1-CB 3.66Å; F60-M75 HydrophobicContact CE1-CG 4.08Å; F60-M75 HydrophobicContact CE2-CB 4.43Å; F60-M75 HydrophobicContact CE2-CG 3.95Å; F60-M75 HydrophobicContact CE2-SD 3.98Å; F60-M75 HydrophobicContact CG-CB 4.26Å; F60-M75 HydrophobicContact CG-CG 4.05Å; F60-M75 HydrophobicContact CZ-CB 4.02Å; F60-M75 HydrophobicContact CZ-CG 4.02Å; F60-M75 HydrophobicContact CZ-SD 4.12Å; F60-L78 HydrophobicContact CE1-CD2 4Å; F60-L78 HydrophobicContact CZ-CD2 3.87Å; F60-D82 HydrophobicContact CZ-CB 4.2Å; F60-Y86 HydrophobicContact CE2-CE1 4.42Å
61	T	98.2	Very high	96.5	Very high	75 Å²	75	58.1 Å²	58.1	46%	0.46	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	116.3	179.6	-55.2	0	0	0	0	109.9	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.24Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 3.47Å
62	I	98.4	Very high	96.7	Very high	6 Å²	6	55 Å²	55	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	138.6	171.9	-165.5	170.2	0	0	0	109.6	A41 I43 T50 Y52 L71 Y72 L73	A41-I62 HydrophobicContact CB-CB 3.77Å; A41-I62 HydrophobicContact CB-CD1 3.91Å; A41-I62 HydrophobicContact CB-CG1 4.38Å; A41-I62 HydrophobicContact CB-CG2 4.01Å; I43-I62 HydrophobicContact CB-CD1 3.99Å; I43-I62 HydrophobicContact CB-CG1 4.23Å; I43-I62 HydrophobicContact CB-CG2 3.99Å; I43-I62 HydrophobicContact CG2-CD1 3.71Å; I43-I62 HydrophobicContact CG2-CG1 4.04Å; T50-I62 HydrophobicContact CG2-CG2 3.72Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.97Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.45Å; Y52-I62 PolarHBondContact OH-N 3.36Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.44Å; I62-L71 HydrophobicContact CD1-CG 4.49Å; I62-L71 HydrophobicContact CG1-CD1 3.97Å; I62-L71 HydrophobicContact CG1-CG 4.5Å; I62-Y72 WeakPolarHBondContact CA-O 3.49Å; I62-L73 HydrophobicContact CB-CD1 4.34Å
63	S	97.9	Very high	96.7	Very high	48 Å²	48	53 Å²	53	34%	0.336	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.9	171.7	53.7	0	0	0	0	110.5	Y72	S63-Y72 PolarHBondContact N-O 2.83Å; S63-Y72 PolarHBondContact O-N 2.85Å
64	R	97.4	Very high	96.9	Very high	36 Å²	36	54.8 Å²	54.8	14%	0.136	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.6	-177.5	65.5	-178.3	-68.5	151.5	4.4	110.9	F21 Y24 I43 S44 S45 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.26Å; F21-R64 HydrophobicContact CE1-CB 4.14Å; F21-R64 VanDerWaalsContact CE1-NH2 3.26Å; F21-R64 HydrophobicContact CZ-CB 4.12Å; F21-R64 PolarHBondContact O-NH2 2.64Å; Y24-R64 PolarHBondContact O-NH1 2.95Å; I43-R64 HydrophobicContact CD1-CB 4.25Å; I43-R64 HydrophobicContact CD1-CG 3.74Å; I43-R64 HydrophobicContact CG1-CG 4.4Å; S44-R64 PolarHBondContact O-NH1 3Å; S45-R64 PolarHBondContact O-NE 3.2Å; S45-R64 PolarHBondContact O-NH1 3.4Å; S45-R64 PolarHBondContact O-NH2 2.87Å; R64-N66 PolarHBondContact NE-OD1 2.82Å; R64-N66 PolarHBondContact NH2-OD1 3.41Å; R64-T70 WeakPolarHBondContact CA-O 3.45Å; R64-L71 HydrophobicContact CB-CD1 4.25Å
65	D	96.8	Very high	97	Very high	44 Å²	44	48.1 Å²	48.1	24%	0.235	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	109.5	170.3	-175.9	-25.8	0	0	0	108.3	A67 K68 N69 T70 Y72	D65-A67 WeakPolarHBondContact OD1-CB 3.49Å; D65-A67 PolarHBondContact OD1-N 3.22Å; D65-K68 HydrophobicContact CB-CB 4.17Å; D65-K68 PolarHBondContact O-N 2.89Å; D65-K68 PolarHBondContact OD1-N 2.81Å; D65-K68 WeakPolarHBondContact OD2-CD 3.13Å; D65-K68 VanDerWaalsContact OD2-CE 3.26Å; D65-K68 WeakPolarHBondContact OD2-CE 3.45Å; D65-K68 WeakPolarHBondContact OD2-CG 3.44Å; D65-K68 IonicContact OD2-NZ 3.58Å; D65-N69 WeakPolarHBondContact O-CA 3.18Å; D65-N69 PolarHBondContact O-N 3.2Å; D65-T70 PolarHBondContact N-O 3.02Å; D65-T70 PolarHBondContact O-N 2.81Å; D65-Y72 HydrophobicContact CB-CE2 3.95Å
66	N	95.4	Very high	97.1	Very high	65 Å²	65	47 Å²	47	35%	0.348	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-27.7	-178.3	-75.5	-12.4	0	0	0	113	F21 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.49Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.48Å; R64-N66 PolarHBondContact NE-OD1 2.82Å; R64-N66 PolarHBondContact NH2-OD1 3.41Å; N66-K68 VanDerWaalsContact C-N 3.31Å; N66-N69 PolarHBondContact O-OD1 2.81Å
67	A	94.9	Very high	97.1	Very high	97 Å²	97	50.2 Å²	50.2	80%	0.802	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-32.4	176.6	0	0	0	0	0	110.9	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.49Å; D65-A67 PolarHBondContact OD1-N 3.22Å
68	K	96.2	Very high	97.1	Very high	133 Å²	133	43.9 Å²	43.9	58%	0.578	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	1	178	-60.9	-178.3	-167.9	163.7	0	114.3	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.17Å; D65-K68 PolarHBondContact O-N 2.89Å; D65-K68 PolarHBondContact OD1-N 2.81Å; D65-K68 WeakPolarHBondContact OD2-CD 3.13Å; D65-K68 VanDerWaalsContact OD2-CE 3.26Å; D65-K68 WeakPolarHBondContact OD2-CE 3.45Å; D65-K68 WeakPolarHBondContact OD2-CG 3.44Å; D65-K68 IonicContact OD2-NZ 3.58Å; N66-K68 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.9Å; K68-T70 VanDerWaalsContact O-N 3.1Å; K68-T70 PolarHBondContact O-OG1 2.91Å
69	N	96.1	Very high	97.1	Very high	67 Å²	67	44.7 Å²	44.7	36%	0.358	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	38.3	-172.5	-61.2	-41.3	0	0	0	113	A16 F21 D65 N66	A16-N69 WeakPolarHBondContact CB-O 2.9Å; A16-N69 PolarHBondContact N-O 2.82Å; F21-N69 HydrophobicContact CB-CB 3.91Å; F21-N69 WeakPolarHBondContact CB-OD1 3.42Å; F21-N69 HydrophobicContact CD1-CB 4.43Å; F21-N69 HydrophobicContact CG-CB 4.19Å; D65-N69 WeakPolarHBondContact O-CA 3.18Å; D65-N69 PolarHBondContact O-N 3.2Å; N66-N69 PolarHBondContact O-OD1 2.81Å
70	T	97.4	Very high	96.9	Very high	15 Å²	15	46.4 Å²	46.4	9%	0.092	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.1	-171	-57.1	0	0	0	0	111.7	C14 R64 D65 K68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.41Å; R64-T70 WeakPolarHBondContact CA-O 3.45Å; D65-T70 PolarHBondContact N-O 3.02Å; D65-T70 PolarHBondContact O-N 2.81Å; K68-T70 PolarHBondContact O-N 2.9Å; K68-T70 VanDerWaalsContact O-N 3.1Å; K68-T70 PolarHBondContact O-OG1 2.91Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.45Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.34Å
71	L	98.1	Very high	96.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	140.9	170.9	-171.4	71.1	0	0	0	109.9	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.59Å; S13-L71 VanDerWaalsContact CA-O 3.29Å; S13-L71 WeakPolarHBondContact CA-O 3.26Å; C14-L71 HydrophobicContact CB-CB 4.36Å; C14-L71 PolarHBondContact N-O 2.47Å; C14-L71 PolarHBondContact O-N 3.18Å; F21-L71 HydrophobicContact CE2-CB 4.3Å; F21-L71 HydrophobicContact CZ-CB 4.21Å; M26-L71 HydrophobicContact CB-CD1 3.77Å; M26-L71 HydrophobicContact CB-CD2 3.83Å; M26-L71 HydrophobicContact CB-CG 4.34Å; W28-L71 HydrophobicContact CD2-CD2 4.48Å; W28-L71 HydrophobicContact CG-CD2 4.34Å; W28-L71 HydrophobicContact CZ2-CD2 4.5Å; W28-L71 VanDerWaalsContact NE1-CD2 3.27Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.44Å; I62-L71 HydrophobicContact CD1-CG 4.49Å; I62-L71 HydrophobicContact CG1-CD1 3.97Å; I62-L71 HydrophobicContact CG1-CG 4.5Å; R64-L71 HydrophobicContact CB-CD1 4.25Å; L71-C88 HydrophobicContact CD2-CB 4.06Å
72	Y	98.3	Very high	96.6	Very high	44 Å²	44	48.4 Å²	48.4	17%	0.173	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.3	177.7	-56.7	-77.3	0	0	0	111.5	L12 I62 S63 D65 T70	L12-Y72 VanDerWaalsContact O-CA 3.26Å; L12-Y72 WeakPolarHBondContact O-CA 3.35Å; I62-Y72 WeakPolarHBondContact CA-O 3.49Å; S63-Y72 PolarHBondContact N-O 2.83Å; S63-Y72 PolarHBondContact O-N 2.85Å; D65-Y72 HydrophobicContact CB-CE2 3.95Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.45Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.34Å
73	L	98.5	Very high	96.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	108.3	168.1	-173.2	68.4	0	0	0	108.7	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.52Å; K11-L73 WeakPolarHBondContact CA-O 3.24Å; L12-L73 HydrophobicContact CB-CB 4.27Å; L12-L73 HydrophobicContact CD1-CD2 4.39Å; L12-L73 PolarHBondContact N-O 2.92Å; L12-L73 PolarHBondContact O-N 2.96Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 4.13Å; W28-L73 HydrophobicContact CD2-CD2 4.28Å; W28-L73 HydrophobicContact CG-CB 4.11Å; W28-L73 HydrophobicContact CG-CD1 4.48Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.44Å; W28-L73 HydrophobicContact CZ2-CB 4.38Å; V40-L73 HydrophobicContact CG1-CD1 4.42Å; V40-L73 HydrophobicContact CG1-CD2 3.84Å; A41-L73 HydrophobicContact CB-CD1 4.18Å; F60-L73 HydrophobicContact CB-CD1 4.24Å; F60-L73 HydrophobicContact CD2-CD2 4.29Å; I62-L73 HydrophobicContact CB-CD1 4.34Å; L73-M75 HydrophobicContact CD2-CG 3.81Å; L73-M75 HydrophobicContact CD2-SD 3.84Å; L73-M75 HydrophobicContact CG-CG 3.8Å; L73-M75 HydrophobicContact CG-SD 4.45Å; L73-Y86 HydrophobicContact CD2-CD1 4.22Å; L73-Y86 HydrophobicContact CD2-CE1 4.36Å
74	Q	98.1	Very high	96.5	Very high	61 Å²	61	47.9 Å²	47.9	29%	0.285	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.2	168.1	-177.2	63.2	44.4	0	0	107.9	F60 T61	F60-Q74 CarbonylContact C-O 3.36Å; F60-Q74 VanDerWaalsContact CA-O 3.24Å; F60-Q74 WeakPolarHBondContact CA-O 3.34Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 3.47Å
75	M	97.7	Very high	96.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116	178.2	-56.5	-178.3	-55.1	0	0	108	S9 L10 L12 F60 L73 L78 Y86 V108	S9-M75 CarbonylContact C-O 3.59Å; S9-M75 WeakPolarHBondContact CA-O 3.13Å; S9-M75 WeakPolarHBondContact CB-O 3.44Å; L10-M75 HydrophobicContact CB-CE 3.73Å; L10-M75 HydrophobicContact CD2-CE 3.6Å; L10-M75 HydrophobicContact CG-CE 3.86Å; L10-M75 PolarHBondContact N-O 2.96Å; L10-M75 PolarHBondContact O-N 2.84Å; L12-M75 HydrophobicContact CD1-CE 4Å; L12-M75 HydrophobicContact CD1-SD 4.04Å; L12-M75 HydrophobicContact CD2-CE 4.1Å; L12-M75 HydrophobicContact CG-CE 3.81Å; L12-M75 HydrophobicContact CG-SD 4.31Å; F60-M75 HydrophobicContact CD1-CB 3.77Å; F60-M75 HydrophobicContact CD1-CG 4.07Å; F60-M75 HydrophobicContact CD2-CG 3.96Å; F60-M75 HydrophobicContact CD2-SD 4.48Å; F60-M75 HydrophobicContact CE1-CB 3.66Å; F60-M75 HydrophobicContact CE1-CG 4.08Å; F60-M75 HydrophobicContact CE2-CB 4.43Å; F60-M75 HydrophobicContact CE2-CG 3.95Å; F60-M75 HydrophobicContact CE2-SD 3.98Å; F60-M75 HydrophobicContact CG-CB 4.26Å; F60-M75 HydrophobicContact CG-CG 4.05Å; F60-M75 HydrophobicContact CZ-CB 4.02Å; F60-M75 HydrophobicContact CZ-CG 4.02Å; F60-M75 HydrophobicContact CZ-SD 4.12Å; L73-M75 HydrophobicContact CD2-CG 3.81Å; L73-M75 HydrophobicContact CD2-SD 3.84Å; L73-M75 HydrophobicContact CG-CG 3.8Å; L73-M75 HydrophobicContact CG-SD 4.45Å; M75-L78 HydrophobicContact CB-CD2 3.91Å; M75-L78 HydrophobicContact CB-CG 4.22Å; M75-L78 HydrophobicContact CE-CD1 4.46Å; M75-L78 HydrophobicContact CE-CD2 4.27Å; M75-L78 HydrophobicContact SD-CD2 4.35Å; M75-Y86 HydrophobicContact SD-CD1 4.48Å; M75-Y86 HydrophobicContact SD-CE1 4.01Å; M75-V108 HydrophobicContact CE-CG1 4.13Å; M75-V108 HydrophobicContact CE-CG2 4.15Å
76	S	96.8	Very high	96.5	Very high	40 Å²	40	47.1 Å²	47.1	28%	0.28	26%	0.261	S	S	.	.			trans	-114	157.2	177.7	-55.4	0	0	0	0	110.1	R59 L78	R59-S76 WeakPolarHBondContact CB-O 3.17Å; R59-S76 WeakPolarHBondContact O-CB 3.38Å; R59-S76 PolarHBondContact O-N 2.88Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 2.78Å
77	S	95.8	Very high	96.6	Very high	68 Å²	68	46.1 Å²	46.1	48%	0.476	25%	0.252	S	S	.	.	S	Bend	trans	50.5	50.1	179.2	-54.2	0	0	0	0	111.9	G8 R59	G8-S77 PolarHBondContact O-N 3.29Å; R59-S77 PolarHBondContact NH1-O 2.92Å
78	L	96.3	Very high	96.7	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.218	C	C	.	.			trans	-60.5	141.7	-179.6	-80.9	167	0	0	0	111.4	V4 P6 G7 G8 L10 F60 M75 S76 D82 V110	V4-L78 HydrophobicContact CB-CD1 4.07Å; V4-L78 HydrophobicContact CG1-CD1 3.9Å; V4-L78 HydrophobicContact CG2-CD1 4.25Å; P6-L78 WeakPolarHBondContact CA-O 3.42Å; G7-L78 PolarHBondContact N-O 3.45Å; G8-L78 PolarHBondContact O-N 3.25Å; G8-L78 VanDerWaalsContact O-N 3.09Å; L10-L78 HydrophobicContact CB-CD1 3.99Å; F60-L78 HydrophobicContact CE1-CD2 4Å; F60-L78 HydrophobicContact CZ-CD2 3.87Å; M75-L78 HydrophobicContact CB-CD2 3.91Å; M75-L78 HydrophobicContact CB-CG 4.22Å; M75-L78 HydrophobicContact CE-CD1 4.46Å; M75-L78 HydrophobicContact CE-CD2 4.27Å; M75-L78 HydrophobicContact SD-CD2 4.35Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 2.78Å; L78-D82 HydrophobicContact CD2-CB 3.78Å; L78-V110 HydrophobicContact CB-CG1 4.25Å; L78-V110 HydrophobicContact CB-CG2 4.05Å; L78-V110 HydrophobicContact CD1-CG2 4.37Å; L78-V110 HydrophobicContact CD2-CG2 4.22Å; L78-V110 HydrophobicContact CG-CG2 4.46Å
79	K	95.3	Very high	96.6	Very high	102 Å²	102	35.7 Å²	35.7	44%	0.443	19%	0.191	S	C	.	.			trans	-118.9	162.9	177	-52.9	178.9	-178.8	-179.6	0	110.3	E81 D82 V110	K79-E81 WeakPolarHBondContact CB-OE2 3.13Å; K79-E81 WeakPolarHBondContact CD-OE2 3.33Å; K79-E81 PolarHBondContact O-N 2.02Å; K79-D82 PolarHBondContact N-OD2 3.27Å; K79-D82 WeakPolarHBondContact O-CB 3.25Å; K79-D82 PolarHBondContact O-N 2.81Å; K79-V110 WeakPolarHBondContact O-CB 3.24Å; K79-V110 WeakPolarHBondContact O-CG1 3.46Å; K79-V110 WeakPolarHBondContact O-CG2 3.43Å
80	S	93.6	Very high	96.5	Very high	67 Å²	67	33.6 Å²	33.6	47%	0.469	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-51.1	-38.6	173.6	26.3	0	0	0	0	112.3	D82 T83	S80-D82 PolarHBondContact O-N 2.96Å; S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.01Å; S80-T83 PolarHBondContact O-N 2.99Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.79Å
81	E	93.6	Very high	96	Very high	120 Å²	120	33.5 Å²	33.5	56%	0.561	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-67.4	-13.9	179.7	-52.9	76	-121.8	0	0	113.5	K79 T83	K79-E81 WeakPolarHBondContact CB-OE2 3.13Å; K79-E81 WeakPolarHBondContact CD-OE2 3.33Å; K79-E81 PolarHBondContact O-N 2.02Å; E81-T83 VanDerWaalsContact C-N 3.27Å
82	D	95.8	Very high	94.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.011	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-84.5	-1.8	175.4	-59.2	-48.8	0	0	0	112.9	R30 R59 F60 L78 K79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.13Å; R30-D82 PolarHBondContact NH1-OD1 2.93Å; R59-D82 IonicContact CZ-OD1 3.44Å; R59-D82 IonicContact CZ-OD2 2.65Å; R59-D82 IonicContact NH1-OD1 2.96Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 2.79Å; R59-D82 IonicContact NH2-OD1 3.31Å; R59-D82 PolarHBondContact NH2-OD1 3.06Å; R59-D82 IonicContact NH2-OD2 2.83Å; R59-D82 PolarHBondContact NH2-OD2 2.79Å; F60-D82 HydrophobicContact CZ-CB 4.2Å; L78-D82 HydrophobicContact CD2-CB 3.78Å; K79-D82 PolarHBondContact N-OD2 3.27Å; K79-D82 WeakPolarHBondContact O-CB 3.25Å; K79-D82 PolarHBondContact O-N 2.81Å; S80-D82 PolarHBondContact O-N 2.96Å; D82-A84 PolarHBondContact O-N 3.41Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 3.35Å
83	T	96.6	Very high	93.2	Very high	36 Å²	36	34.2 Å²	34.2	22%	0.221	20%	0.197	C	C	.	.			trans	-63.6	114.1	172.5	-63.4	0	0	0	0	110.1	P33 S80 E81 V108 T109 V110	P33-T83 WeakPolarHBondContact CD-O 3.02Å; S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.01Å; S80-T83 PolarHBondContact O-N 2.99Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 2.79Å; E81-T83 VanDerWaalsContact C-N 3.27Å; T83-V108 WeakPolarHBondContact CA-O 3.28Å; T83-T109 HydrophobicContact CG2-CG2 4.43Å; T83-V110 PolarHBondContact OG1-N 2.88Å; T83-V110 PolarHBondContact OG1-O 3.01Å
84	A	97.2	Very high	91.1	Very high	7 Å²	7	42 Å²	42	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	169.3	-175.7	0	0	0	0	0	111.2	R30 Q31 D82 Y86 V108	R30-A84 HydrophobicContact CB-CB 3.81Å; R30-A84 HydrophobicContact CG-CB 4.15Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.07Å; D82-A84 PolarHBondContact O-N 3.41Å; A84-Y86 HydrophobicContact CB-CD2 4.25Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.43Å; A84-V108 PolarHBondContact N-O 2.97Å; A84-V108 VanDerWaalsContact N-O 3.09Å; A84-V108 PolarHBondContact O-N 3.29Å
85	M	97.8	Very high	88.9	Confident	63 Å²	63	45.6 Å²	45.6	31%	0.31	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.5	163.8	-166.9	67.3	64.1	0	0	109.1	R30 Q31 Y87 S107	R30-M85 CarbonylContact C-O 3.6Å; R30-M85 WeakPolarHBondContact CA-O 3.29Å; Q31-M85 HydrophobicContact CB-CB 4.42Å; Q31-M85 PolarHBondContact N-O 3.46Å; Q31-M85 PolarHBondContact O-N 3.46Å; M85-Y87 HydrophobicContact CB-CE2 3.78Å; M85-Y87 HydrophobicContact CG-CD2 4.47Å; M85-Y87 HydrophobicContact CG-CE1 4Å; M85-Y87 HydrophobicContact CG-CE2 3.6Å; M85-Y87 WeakPolarHBondContact CG-OH 3.26Å; M85-Y87 WeakPolarHBondContact O-CD2 3.45Å; M85-Y87 WeakPolarHBondContact O-CE2 3.37Å; M85-S107 PolarHBondContact SD-N 3.3Å
86	Y	97.9	Very high	87.1	Confident	1 Å²	1	54 Å²	54	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.3	-177.1	-74.4	-102.4	0	0	0	111.2	L12 V29 R30 V40 F60 L73 M75 D82 A84 G105 T106 V108	L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 4.37Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; V29-Y86 CarbonylContact O-C 3.58Å; R30-Y86 HydrophobicContact CB-CD1 3.86Å; R30-Y86 HydrophobicContact CB-CD2 4.41Å; R30-Y86 HydrophobicContact CB-CE1 3.81Å; R30-Y86 HydrophobicContact CB-CE2 4.34Å; R30-Y86 HydrophobicContact CB-CG 4.17Å; R30-Y86 HydrophobicContact CG-CE1 4.45Å; R30-Y86 PolarHBondContact NH1-OH 2.97Å; V40-Y86 HydrophobicContact CG1-CE1 4.36Å; V40-Y86 HydrophobicContact CG2-CD1 4.35Å; V40-Y86 HydrophobicContact CG2-CE1 4.04Å; F60-Y86 HydrophobicContact CE2-CE1 4.42Å; L73-Y86 HydrophobicContact CD2-CD1 4.22Å; L73-Y86 HydrophobicContact CD2-CE1 4.36Å; M75-Y86 HydrophobicContact SD-CD1 4.48Å; M75-Y86 HydrophobicContact SD-CE1 4.01Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 3.35Å; A84-Y86 HydrophobicContact CB-CD2 4.25Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.43Å; Y86-G105 CarbonylContact O-C 3.56Å; Y86-G105 WeakPolarHBondContact O-CA 3.46Å; Y86-T106 PolarHBondContact N-O 2.86Å; Y86-T106 PolarHBondContact O-N 2.99Å; Y86-V108 HydrophobicContact CD2-CB 3.82Å; Y86-V108 HydrophobicContact CD2-CG2 3.58Å; Y86-V108 HydrophobicContact CE2-CB 3.74Å; Y86-V108 HydrophobicContact CE2-CG1 4.38Å; Y86-V108 HydrophobicContact CE2-CG2 3.93Å; Y86-V108 HydrophobicContact CG-CG2 4.39Å
87	Y	97.4	Very high	85.2	Confident	43 Å²	43	62 Å²	62	17%	0.169	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136	-179.1	-54.8	-90.5	0	0	0	109.8	W28 V29 Q31 M85 W102 G103	W28-Y87 CarbonylContact C-O 3.5Å; W28-Y87 WeakPolarHBondContact CA-O 3.33Å; V29-Y87 PolarHBondContact N-O 2.99Å; V29-Y87 PolarHBondContact O-N 3.1Å; Q31-Y87 HydrophobicContact CB-CE2 3.78Å; M85-Y87 HydrophobicContact CB-CE2 3.78Å; M85-Y87 HydrophobicContact CG-CD2 4.47Å; M85-Y87 HydrophobicContact CG-CE1 4Å; M85-Y87 HydrophobicContact CG-CE2 3.6Å; M85-Y87 WeakPolarHBondContact CG-OH 3.26Å; M85-Y87 WeakPolarHBondContact O-CD2 3.45Å; M85-Y87 WeakPolarHBondContact O-CE2 3.37Å; Y87-W102 HydrophobicContact CG-CE3 4.22Å; Y87-W102 HydrophobicContact CG-CZ3 4.46Å; Y87-G103 WeakPolarHBondContact CD1-O 3.5Å
88	C	96.2	Very high	83.8	Confident	11 Å²	11	61.4 Å²	61.4	7%	0.074	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	144.1	161.2	54.6	0	0	0	0	109.2	C14 S27 W28 L71 W102 G103	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.39Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.17Å; S27-C88 CarbonylContact O-C 3.48Å; S27-C88 WeakPolarHBondContact O-CA 3.4Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.29Å; L71-C88 HydrophobicContact CD2-CB 4.06Å; C88-W102 CarbonylContact O-C 3.47Å; C88-W102 WeakPolarHBondContact O-CA 3.45Å; C88-G103 PolarHBondContact O-N 3.02Å
89	A	95.1	Very high	83.1	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.7	177.2	0	0	0	0	0	111.8	M26 S27 M99 Y101 W102	M26-A89 CarbonylContact C-O 3.56Å; M26-A89 WeakPolarHBondContact CA-O 3.42Å; S27-A89 PolarHBondContact N-O 3.01Å; S27-A89 PolarHBondContact O-N 3.32Å; A89-M99 HydrophobicContact CB-CB 4.23Å; A89-M99 HydrophobicContact CB-CE 3.91Å; A89-M99 HydrophobicContact CB-CG 4.07Å; A89-M99 HydrophobicContact CB-SD 3.9Å; A89-Y101 CarbonylContact C-O 3.45Å; A89-Y101 WeakPolarHBondContact CA-O 3.48Å; A89-Y101 WeakPolarHBondContact CB-O 3.43Å; A89-W102 HydrophobicContact CB-CD2 3.93Å; A89-W102 HydrophobicContact CB-CE3 4.16Å; A89-W102 HydrophobicContact CB-CG 4.3Å; A89-W102 HydrophobicContact CB-CZ2 4.47Å
90	R	93.1	Very high	82.5	Confident	23 Å²	23	61.9 Å²	61.9	9%	0.087	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	140	174.2	-171.4	-179.3	84.5	168	10.3	109.8	F19 Y24 M26 M99 D100 Y101	F19-R90 HydrophobicContact CE2-CG 4.21Å; F19-R90 HydrophobicContact CZ-CB 4.44Å; F19-R90 HydrophobicContact CZ-CG 4.4Å; Y24-R90 HydrophobicContact CD1-CG 4.09Å; Y24-R90 HydrophobicContact CG-CG 3.92Å; M26-R90 HydrophobicContact SD-CB 4.08Å; M26-R90 HydrophobicContact SD-CG 4.15Å; R90-M99 WeakPolarHBondContact O-CA 3.44Å; R90-D100 IonicContact CZ-OD1 3.5Å; R90-D100 IonicContact CZ-OD2 3.51Å; R90-D100 IonicContact NE-OD1 2.87Å; R90-D100 PolarHBondContact NE-OD1 3.33Å; R90-D100 IonicContact NE-OD2 3.62Å; R90-D100 VanDerWaalsContact NH2-CG 3.29Å; R90-D100 IonicContact NH2-OD1 3.41Å; R90-D100 PolarHBondContact NH2-OD1 2.71Å; R90-D100 IonicContact NH2-OD2 2.64Å; R90-D100 PolarHBondContact NH2-OD2 3.23Å; R90-Y101 PolarHBondContact N-O 2.77Å; R90-Y101 VanDerWaalsContact NE-CD2 3.33Å; R90-Y101 VanDerWaalsContact NH2-CE2 3.28Å
91	L	86.8	Confident	82.3	Confident	13 Å²	13	64.2 Å²	64.2	7%	0.068	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	120.1	167.3	-63.3	178.1	0	0	0	109.7	G25 W39 T42 M99	G25-L91 WeakPolarHBondContact O-CB 3.38Å; G25-L91 PolarHBondContact O-N 2.93Å; W39-L91 HydrophobicContact CH2-CD2 4.17Å; W39-L91 HydrophobicContact CZ2-CD2 3.88Å; T42-L91 HydrophobicContact CG2-CD1 3.54Å; L91-M99 HydrophobicContact CD2-CE 4.41Å; L91-M99 HydrophobicContact CD2-CG 4.37Å
92	G	71.6	Confident	82.3	Confident	7 Å²	7	63.8 Å²	63.8	7%	0.072	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-67	144.8	173.6	0	0	0	0	0	111.4	A98	G92-A98 PolarHBondContact N-O 2.87Å
93	G	65.6	Low	82.2	Confident	51 Å²	51	65 Å²	65	53%	0.526	32%	0.322	S	S	.	.	S	Bend	trans	-45.1	-104.2	-165.3	0	0	0	0	0	118.5	H95	G93-H95 PolarHBondContact O-N 3.14Å
94	I	53.8	Low	82.1	Confident	163 Å²	163	72.2 Å²	72.2	84%	0.836	35%	0.354	S	S	*	.	S	Bend	trans	-64.2	-15	-162.7	-53	176.1	0	0	0	113.1
95	H	53.8	Low	81.9	Confident	137 Å²	137	73.4 Å²	73.4	63%	0.634	37%	0.367	S	S	*	.			trans	-122.9	104.6	174.5	-64.5	-56.2	0	0	0	110.2	G93 Y97 A98	G93-H95 PolarHBondContact O-N 3.14Å; H95-Y97 PolarHBondContact O-N 2.82Å; H95-A98 PolarHBondContact O-N 2.83Å
96	Y	58.1	Low	81.9	Confident	176 Å²	176	72.3 Å²	72.3	69%	0.69	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	12.7	176.9	-66.7	-80.2	0	0	0	115.9
97	Y	57.8	Low	81.8	Confident	210 Å²	210	74.5 Å²	74.5	82%	0.824	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-11.8	-174.5	-55	-69	0	0	0	113.8	H95	H95-Y97 PolarHBondContact O-N 2.82Å
98	A	66.9	Low	81.7	Confident	54 Å²	54	72.4 Å²	72.4	45%	0.446	37%	0.371	S	S	.	.			trans	-100.4	129.7	178.1	0	0	0	0	0	111.1	G92 H95	G92-A98 PolarHBondContact N-O 2.87Å; H95-A98 PolarHBondContact O-N 2.83Å
99	M	80.4	Confident	81.7	Confident	34 Å²	34	74.4 Å²	74.4	17%	0.167	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	104.6	170.9	-73	168.6	153	0	0	109.2	S27 V29 W39 A89 R90 L91 W102	S27-M99 VanDerWaalsContact CB-CE 3.47Å; V29-M99 HydrophobicContact CG2-CE 3.29Å; V29-M99 HydrophobicContact CG2-SD 3.8Å; W39-M99 HydrophobicContact CD2-CE 4Å; W39-M99 HydrophobicContact CE3-CE 3.8Å; W39-M99 HydrophobicContact CE3-SD 4.32Å; W39-M99 HydrophobicContact CH2-CE 2.97Å; W39-M99 HydrophobicContact CH2-CG 4.04Å; W39-M99 HydrophobicContact CH2-SD 3.57Å; W39-M99 VanDerWaalsContact CH2-SD 3.57Å; W39-M99 HydrophobicContact CZ2-CE 3.14Å; W39-M99 HydrophobicContact CZ2-SD 4.34Å; W39-M99 HydrophobicContact CZ3-CE 3.29Å; W39-M99 HydrophobicContact CZ3-CG 4.46Å; W39-M99 HydrophobicContact CZ3-SD 3.52Å; W39-M99 VanDerWaalsContact CZ3-SD 3.52Å; A89-M99 HydrophobicContact CB-CB 4.23Å; A89-M99 HydrophobicContact CB-CE 3.91Å; A89-M99 HydrophobicContact CB-CG 4.07Å; A89-M99 HydrophobicContact CB-SD 3.9Å; R90-M99 WeakPolarHBondContact O-CA 3.44Å; L91-M99 HydrophobicContact CD2-CE 4.41Å; L91-M99 HydrophobicContact CD2-CG 4.37Å; M99-W102 HydrophobicContact CB-CZ2 3.78Å; M99-W102 HydrophobicContact CG-CZ2 4.28Å; M99-W102 PolarHBondContact O-NE1 2.82Å; M99-W102 VanDerWaalsContact O-NE1 3.11Å; M99-W102 HydrophobicContact SD-CH2 3.76Å; M99-W102 HydrophobicContact SD-CZ2 3.4Å; M99-W102 WeakPolarHBondContact SD-CZ2 3.3Å
100	D	84.4	Confident	81.7	Confident	80 Å²	80	74.6 Å²	74.6	43%	0.428	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-19	-172.3	52.9	1.4	0	0	0	114	R90	R90-D100 IonicContact CZ-OD1 3.5Å; R90-D100 IonicContact CZ-OD2 3.51Å; R90-D100 IonicContact NE-OD1 2.87Å; R90-D100 PolarHBondContact NE-OD1 3.33Å; R90-D100 IonicContact NE-OD2 3.62Å; R90-D100 VanDerWaalsContact NH2-CG 3.29Å; R90-D100 IonicContact NH2-OD1 3.41Å; R90-D100 PolarHBondContact NH2-OD1 2.71Å; R90-D100 IonicContact NH2-OD2 2.64Å; R90-D100 PolarHBondContact NH2-OD2 3.23Å
101	Y	88.9	Confident	81.5	Confident	117 Å²	117	76.1 Å²	76.1	46%	0.459	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.9	173.1	-72.1	-98.1	0	0	0	111	A89 R90	A89-Y101 CarbonylContact C-O 3.45Å; A89-Y101 WeakPolarHBondContact CA-O 3.48Å; A89-Y101 WeakPolarHBondContact CB-O 3.43Å; R90-Y101 PolarHBondContact N-O 2.77Å; R90-Y101 VanDerWaalsContact NE-CD2 3.33Å; R90-Y101 VanDerWaalsContact NH2-CE2 3.28Å
102	W	93.6	Very high	81	Confident	111 Å²	111	82.7 Å²	82.7	42%	0.42	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.9	179.6	-68.9	73	0	0	0	110.3	V29 Y87 C88 A89 M99	V29-W102 HydrophobicContact CB-CH2 3.97Å; V29-W102 HydrophobicContact CB-CZ3 3.73Å; V29-W102 HydrophobicContact CG1-CH2 3.85Å; V29-W102 HydrophobicContact CG1-CZ3 3.87Å; V29-W102 HydrophobicContact CG2-CH2 3.85Å; V29-W102 HydrophobicContact CG2-CZ3 4Å; Y87-W102 HydrophobicContact CG-CE3 4.22Å; Y87-W102 HydrophobicContact CG-CZ3 4.46Å; C88-W102 CarbonylContact O-C 3.47Å; C88-W102 WeakPolarHBondContact O-CA 3.45Å; A89-W102 HydrophobicContact CB-CD2 3.93Å; A89-W102 HydrophobicContact CB-CE3 4.16Å; A89-W102 HydrophobicContact CB-CG 4.3Å; A89-W102 HydrophobicContact CB-CZ2 4.47Å; M99-W102 HydrophobicContact CB-CZ2 3.78Å; M99-W102 HydrophobicContact CG-CZ2 4.28Å; M99-W102 PolarHBondContact O-NE1 2.82Å; M99-W102 VanDerWaalsContact O-NE1 3.11Å; M99-W102 HydrophobicContact SD-CH2 3.76Å; M99-W102 HydrophobicContact SD-CZ2 3.4Å; M99-W102 WeakPolarHBondContact SD-CZ2 3.3Å
103	G	93.8	Very high	81.5	Confident	26 Å²	26	86.5 Å²	86.5	27%	0.268	46%	0.464	S	S	.	.			trans	-72.3	167.2	168.5	0	0	0	0	0	111.9	Y87 C88 G105	Y87-G103 WeakPolarHBondContact CD1-O 3.5Å; C88-G103 PolarHBondContact O-N 3.02Å; G103-G105 PolarHBondContact O-N 3.49Å
104	Q	93.1	Very high	82.3	Confident	188 Å²	188	88.4 Å²	88.4	88%	0.879	46%	0.461	S	S	*	.			trans	-66.1	-18	179.3	-66.5	-63.8	-34.8	0	0	113.9
105	G	94.4	Very high	83.9	Confident	32 Å²	32	84.2 Å²	84.2	33%	0.33	44%	0.44	S	S	.	.			trans	91	156.2	-177.7	0	0	0	0	0	113.2	Y86 G103	Y86-G105 CarbonylContact O-C 3.56Å; Y86-G105 WeakPolarHBondContact O-CA 3.46Å; G103-G105 PolarHBondContact O-N 3.49Å
106	T	96.3	Very high	85.7	Confident	41 Å²	41	81.1 Å²	81.1	25%	0.252	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.5	171.8	-173	0	0	0	0	110.6	L12 Y86	L12-T106 HydrophobicContact CD1-CG2 4.02Å; L12-T106 HydrophobicContact CD2-CG2 3.95Å; L12-T106 HydrophobicContact CG-CG2 4.49Å; Y86-T106 PolarHBondContact N-O 2.86Å; Y86-T106 PolarHBondContact O-N 2.99Å
107	S	96.3	Very high	87.4	Confident	46 Å²	46	75.2 Å²	75.2	32%	0.322	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.6	-179.7	-168	0	0	0	0	109.7	G1 D2 M85	G1-S107 CarbonylContact C-O 3.49Å; G1-S107 WeakPolarHBondContact CA-O 3.37Å; D2-S107 PolarHBondContact N-O 3.28Å; M85-S107 PolarHBondContact SD-N 3.3Å
108	V	96.6	Very high	89.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.2	171.1	177.7	0	0	0	0	107.7	L10 L12 M75 T83 A84 Y86 V110	L10-V108 HydrophobicContact CD2-CG1 4.06Å; L10-V108 HydrophobicContact CD2-CG2 4.02Å; L12-V108 HydrophobicContact CD1-CG2 4.15Å; L12-V108 HydrophobicContact CD2-CG2 3.94Å; M75-V108 HydrophobicContact CE-CG1 4.13Å; M75-V108 HydrophobicContact CE-CG2 4.15Å; T83-V108 WeakPolarHBondContact CA-O 3.28Å; A84-V108 PolarHBondContact N-O 2.97Å; A84-V108 VanDerWaalsContact N-O 3.09Å; A84-V108 PolarHBondContact O-N 3.29Å; Y86-V108 HydrophobicContact CD2-CB 3.82Å; Y86-V108 HydrophobicContact CD2-CG2 3.58Å; Y86-V108 HydrophobicContact CE2-CB 3.74Å; Y86-V108 HydrophobicContact CE2-CG1 4.38Å; Y86-V108 HydrophobicContact CE2-CG2 3.93Å; Y86-V108 HydrophobicContact CG-CG2 4.39Å; V108-V110 HydrophobicContact CG1-CG2 4.36Å
109	T	96.2	Very high	91	Very high	52 Å²	52	67.1 Å²	67.1	32%	0.319	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.2	179.3	-56	0	0	0	0	109.4	D2 L3 V4 T83	D2-T109 PolarHBondContact O-N 3.1Å; L3-T109 WeakPolarHBondContact CA-O 3.26Å; L3-T109 HydrophobicContact CD1-CG2 3.77Å; V4-T109 PolarHBondContact N-O 3.04Å; T83-T109 HydrophobicContact CG2-CG2 4.43Å
110	V	93.8	Very high	91.8	Very high	5 Å²	5	69.6 Å²	69.6	3%	0.03	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	102.7	177	-171.2	0	0	0	0	109.2	V4 P6 L78 K79 T83 V108	V4-V110 VanDerWaalsContact O-CA 3.26Å; V4-V110 WeakPolarHBondContact O-CA 3.15Å; P6-V110 HydrophobicContact CB-CG1 4.45Å; P6-V110 HydrophobicContact CG-CG1 4.12Å; L78-V110 HydrophobicContact CB-CG1 4.25Å; L78-V110 HydrophobicContact CB-CG2 4.05Å; L78-V110 HydrophobicContact CD1-CG2 4.37Å; L78-V110 HydrophobicContact CD2-CG2 4.22Å; L78-V110 HydrophobicContact CG-CG2 4.46Å; K79-V110 WeakPolarHBondContact O-CB 3.24Å; K79-V110 WeakPolarHBondContact O-CG1 3.46Å; K79-V110 WeakPolarHBondContact O-CG2 3.43Å; T83-V110 PolarHBondContact OG1-N 2.88Å; T83-V110 PolarHBondContact OG1-O 3.01Å; V108-V110 HydrophobicContact CG1-CG2 4.36Å
111	S	89.9	Confident	92.4	Very high	55 Å²	55	68.8 Å²	68.8	39%	0.385	39%	0.394	S	S	.	.			trans	-142.8	153.4	179.7	66.4	0	0	0	0	111.4	L3 V4	L3-S111 WeakPolarHBondContact CD1-OG 3.35Å; V4-S111 PolarHBondContact O-N 2.94Å
112	S	76.6	Confident	92.8	Very high	152 Å²	152	64.4 Å²	64.4	100%	1.063	39%	0.388	S	S	*	.			trans	-74.5	0	176.8	57.1	0	0	0	0	112.6

Retrieved 112 of 112 residues in 66.4 ms (Link to these results)

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