X5J4Y8_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Y8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J4Y8_MOUSE|X5J4Y8
GDLVKPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLEWVATISSGGSYTYYPDSVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARHYYGSSYYFDYWGQGTTLTVSS
					

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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	62.9	Low	87.7	Confident	85 Å²	85	73.4 Å²	73.4	88%	0.876	46%	0.46	S	S	*	.				0	140.1	0	0	0	0	0	0	107.4	T107	G1-T107 CarbonylContact C-O 3.51Å; G1-T107 WeakPolarHBondContact CA-O 3.45Å
2	D	79.7	Confident	88.4	Confident	71 Å²	71	67.8 Å²	67.8	38%	0.38	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.8	-171.6	-62	-27.9	0	0	0	110.1	L10 T107 T109	D2-L10 HydrophobicContact CB-CD1 4.25Å; D2-L10 HydrophobicContact CB-CD2 3.78Å; D2-T107 PolarHBondContact N-O 3.31Å; D2-T109 PolarHBondContact O-N 3.02Å
3	L	85.1	Confident	89.1	Confident	128 Å²	128	68.8 Å²	68.8	67%	0.67	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.3	175.4	-179.4	66.5	0	0	0	109	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.24Å; L3-T109 HydrophobicContact CD1-CG2 3.76Å; L3-S111 WeakPolarHBondContact CD1-OG 3.33Å
4	V	87.9	Confident	89.5	Confident	22 Å²	22	65.2 Å²	65.2	13%	0.133	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.7	-176.5	-170.3	0	0	0	0	109.8	L10 L78 L108 T109 V110 S111	V4-L10 HydrophobicContact CG2-CB 4.32Å; V4-L10 HydrophobicContact CG2-CD2 4.29Å; V4-L78 HydrophobicContact CB-CD1 4.15Å; V4-L78 HydrophobicContact CG1-CD1 3.9Å; V4-L78 HydrophobicContact CG2-CD1 4.39Å; V4-L108 HydrophobicContact CG2-CD1 4.11Å; V4-T109 PolarHBondContact N-O 3.04Å; V4-V110 VanDerWaalsContact O-CA 3.25Å; V4-V110 WeakPolarHBondContact O-CA 3.14Å; V4-S111 PolarHBondContact O-N 2.94Å
5	K	88.6	Confident	89.9	Confident	150 Å²	150	66.2 Å²	66.2	65%	0.652	43%	0.429	S	S	*	.			trans	-75.1	150	173.7	-66.5	-173.8	177.6	-174.4	0	111	G7 G8	K5-G7 PolarHBondContact O-N 3.27Å; K5-G8 WeakPolarHBondContact O-CA 3.37Å; K5-G8 PolarHBondContact O-N 3.42Å
6	P	91.3	Very high	90	Very high	62 Å²	62	63.1 Å²	63.1	40%	0.403	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	140.4	170	-26	33.7	0	0	0	112.1	G8 L78 V110	P6-G8 PolarHBondContact O-N 2.83Å; P6-L78 CarbonylContact C-O 3.44Å; P6-L78 WeakPolarHBondContact CA-O 3.41Å; P6-V110 HydrophobicContact CB-CG1 4.46Å; P6-V110 HydrophobicContact CG-CG1 4.12Å
7	G	90.5	Very high	90	Very high	56 Å²	56	65.4 Å²	65.4	58%	0.577	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 3.27Å; G7-L78 PolarHBondContact N-O 2.95Å
8	G	92.5	Very high	89.9	Confident	22 Å²	22	66.1 Å²	66.1	23%	0.227	45%	0.45	C	S	.	.			trans	-68.2	175	176.9	0	0	0	0	0	113.8	K5 P6 S77 L78	K5-G8 WeakPolarHBondContact O-CA 3.37Å; K5-G8 PolarHBondContact O-N 3.42Å; P6-G8 PolarHBondContact O-N 2.83Å; G8-S77 PolarHBondContact O-N 3.3Å; G8-L78 PolarHBondContact O-N 2.81Å; G8-L78 VanDerWaalsContact O-N 3.08Å
9	S	94.6	Very high	89.8	Confident	72 Å²	72	64.8 Å²	64.8	50%	0.503	44%	0.436	S	S	.	.			trans	-130.1	146.8	176.1	-58.1	0	0	0	0	110.8	M75	S9-M75 CarbonylContact C-O 3.43Å; S9-M75 WeakPolarHBondContact CA-O 3.26Å; S9-M75 WeakPolarHBondContact CB-O 3.38Å
10	L	95	Very high	89.8	Confident	32 Å²	32	66 Å²	66	17%	0.168	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	155.2	177	-176	68.1	0	0	0	109.7	D2 V4 L12 Q74 M75 L78 L108	D2-L10 HydrophobicContact CB-CD1 4.25Å; D2-L10 HydrophobicContact CB-CD2 3.78Å; V4-L10 HydrophobicContact CG2-CB 4.32Å; V4-L10 HydrophobicContact CG2-CD2 4.29Å; L10-L12 HydrophobicContact CD2-CD2 3.71Å; L10-L12 HydrophobicContact CG-CD2 4.34Å; L10-Q74 PolarHBondContact O-NE2 2.47Å; L10-M75 HydrophobicContact CB-CE 4.41Å; L10-M75 HydrophobicContact CD2-CE 4.4Å; L10-M75 PolarHBondContact N-O 3.27Å; L10-M75 PolarHBondContact O-N 3.17Å; L10-L78 HydrophobicContact CB-CD1 4.14Å; L10-L108 HydrophobicContact CD2-CD1 3.38Å
11	K	96.4	Very high	89.9	Confident	107 Å²	107	62.9 Å²	62.9	47%	0.465	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.1	170.7	-171.4	177.5	178.7	-179.4	0	110.3	Y72 L73	K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.16Å
12	L	96.6	Very high	91.3	Very high	6 Å²	6	61.4 Å²	61.4	3%	0.031	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	150.3	169.9	-57.2	-178.1	0	0	0	110.3	L10 W28 Y72 L73 M75 Y86 T106	L10-L12 HydrophobicContact CD2-CD2 3.71Å; L10-L12 HydrophobicContact CG-CD2 4.34Å; L12-W28 HydrophobicContact CB-CH2 3.81Å; L12-W28 HydrophobicContact CB-CZ2 3.99Å; L12-W28 HydrophobicContact CB-CZ3 4.36Å; L12-W28 HydrophobicContact CD1-CH2 4.45Å; L12-W28 HydrophobicContact CD1-CZ3 4.18Å; L12-Y72 VanDerWaalsContact O-CA 3.27Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 PolarHBondContact N-O 2.93Å; L12-L73 PolarHBondContact O-N 2.94Å; L12-M75 HydrophobicContact CD1-CE 4.49Å; L12-M75 HydrophobicContact CD1-SD 3.68Å; L12-M75 HydrophobicContact CG-SD 3.75Å; L12-Y86 HydrophobicContact CD1-CD1 4Å; L12-Y86 HydrophobicContact CD1-CD2 4.31Å; L12-Y86 HydrophobicContact CD1-CG 3.72Å; L12-T106 HydrophobicContact CD1-CG2 4.21Å; L12-T106 HydrophobicContact CD2-CG2 3.95Å
13	S	96.8	Very high	91.8	Very high	81 Å²	81	61.4 Å²	61.4	57%	0.566	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.6	173.6	69.5	0	0	0	0	110.9	L71	S13-L71 CarbonylContact C-O 3.59Å; S13-L71 VanDerWaalsContact CA-O 3.3Å; S13-L71 WeakPolarHBondContact CA-O 3.08Å
14	C	95.8	Very high	92	Very high	19 Å²	19	58 Å²	58	13%	0.128	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	110.6	175.2	165.1	0	0	0	0	109	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.86Å; C14-W28 HydrophobicContact CB-CZ2 3.84Å; C14-T70 CarbonylContact O-C 3.37Å; C14-T70 WeakPolarHBondContact O-CA 3.31Å; C14-L71 HydrophobicContact CB-CB 4.39Å; C14-L71 PolarHBondContact N-O 2.66Å; C14-L71 PolarHBondContact O-N 2.83Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.44Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.5Å
15	A	95.1	Very high	92.3	Very high	80 Å²	80	57.1 Å²	57.1	66%	0.661	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.4	172.7	0	0	0	0	0	109.2
16	A	91.7	Very high	92.5	Very high	17 Å²	17	50.1 Å²	50.1	14%	0.14	35%	0.345	C	S	.	.			trans	-90.8	141.1	177.5	0	0	0	0	0	111	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.99Å; A16-F19 HydrophobicContact CB-CE2 4.37Å; A16-F19 HydrophobicContact CB-CZ 3.65Å; A16-F21 HydrophobicContact CB-CB 4.41Å; A16-F21 HydrophobicContact CB-CD2 3.43Å; A16-F21 VanDerWaalsContact CB-CD2 3.43Å; A16-F21 HydrophobicContact CB-CE2 4.02Å; A16-F21 HydrophobicContact CB-CG 4.27Å; A16-N69 WeakPolarHBondContact CB-O 3.36Å; A16-N69 PolarHBondContact N-O 2.86Å
17	S	90.1	Very high	92.7	Very high	102 Å²	102	47.2 Å²	47.2	71%	0.713	33%	0.326	S	S	*	.			trans	-140.6	159.3	173.9	61.9	0	0	0	0	110	F19	S17-F19 WeakPolarHBondContact O-CD1 3.41Å; S17-F19 PolarHBondContact O-N 3.46Å
18	G	88.2	Confident	93	Very high	78 Å²	78	44.7 Å²	44.7	80%	0.804	30%	0.299	S	S	*	.	S	Bend	trans	83.6	2.7	177.5	0	0	0	0	0	116
19	F	87	Confident	93.2	Very high	42 Å²	42	44 Å²	44	18%	0.184	29%	0.291	C	S	.	.	S	Bend	trans	-156.1	164.2	173.1	62.7	-85.4	0	0	0	112	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.99Å; A16-F19 HydrophobicContact CB-CE2 4.37Å; A16-F19 HydrophobicContact CB-CZ 3.65Å; S17-F19 WeakPolarHBondContact O-CD1 3.41Å; S17-F19 PolarHBondContact O-N 3.46Å; F19-F21 HydrophobicContact CE2-CB 4.37Å; F19-F21 HydrophobicContact CE2-CD2 4.25Å; F19-F21 HydrophobicContact CZ-CD2 4.46Å; F19-F21 PolarHBondContact O-N 3.05Å; F19-Y24 HydrophobicContact CB-CE2 4.45Å; F19-Y24 AromaticContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CE2 4.12Å; F19-Y24 HydrophobicContact CD2-CG 4.48Å; F19-Y24 HydrophobicContact CE2-CD2 4.24Å; F19-M26 HydrophobicContact CE2-SD 4.08Å; F19-M26 HydrophobicContact CZ-CE 4.34Å; F19-M26 HydrophobicContact CZ-SD 4.03Å; F19-R90 HydrophobicContact CE2-CG 4.13Å; F19-R90 HydrophobicContact CZ-CB 4.34Å; F19-R90 HydrophobicContact CZ-CG 4.33Å
20	T	90.6	Very high	93.2	Very high	88 Å²	88	41.2 Å²	41.2	54%	0.54	27%	0.269	S	S	.	.			trans	-73.8	89.9	175.1	-50	0	0	0	0	110.6	S22 S23 Y24	T20-S22 PolarHBondContact O-N 2.98Å; T20-S22 VanDerWaalsContact O-N 3.14Å; T20-S23 VanDerWaalsContact CG2-OG 3.31Å; T20-S23 WeakPolarHBondContact CG2-OG 3.45Å; T20-S23 WeakPolarHBondContact O-CB 3.3Å; T20-S23 PolarHBondContact O-N 2.92Å; T20-Y24 VanDerWaalsContact O-CD2 3.28Å; T20-Y24 WeakPolarHBondContact O-CD2 3.45Å
21	F	91.6	Very high	93.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-51.1	-39	-174.9	179.2	-101.1	0	0	0	114.3	A16 F19 S23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.41Å; A16-F21 HydrophobicContact CB-CD2 3.43Å; A16-F21 VanDerWaalsContact CB-CD2 3.43Å; A16-F21 HydrophobicContact CB-CE2 4.02Å; A16-F21 HydrophobicContact CB-CG 4.27Å; F19-F21 HydrophobicContact CE2-CB 4.37Å; F19-F21 HydrophobicContact CE2-CD2 4.25Å; F19-F21 HydrophobicContact CZ-CD2 4.46Å; F19-F21 PolarHBondContact O-N 3.05Å; F21-S23 PolarHBondContact O-N 2.76Å; F21-Y24 PolarHBondContact O-N 2.86Å; F21-M26 HydrophobicContact CD2-CE 4.44Å; F21-M26 HydrophobicContact CD2-CG 4.02Å; F21-M26 HydrophobicContact CD2-SD 4.04Å; F21-M26 HydrophobicContact CE2-CB 4.48Å; F21-M26 HydrophobicContact CE2-CE 4.01Å; F21-M26 HydrophobicContact CE2-CG 3.49Å; F21-M26 VanDerWaalsContact CE2-CG 3.49Å; F21-M26 HydrophobicContact CE2-SD 3.92Å; F21-M26 HydrophobicContact CZ-CG 4Å; F21-R64 VanDerWaalsContact CD1-NH2 3.26Å; F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 VanDerWaalsContact CE1-NH2 3.28Å; F21-R64 HydrophobicContact CZ-CB 4.19Å; F21-R64 PolarHBondContact O-NH2 2.81Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.46Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.16Å; F21-N69 HydrophobicContact CB-CB 3.89Å; F21-N69 WeakPolarHBondContact CB-OD1 3.32Å; F21-N69 HydrophobicContact CD1-CB 4.42Å; F21-N69 HydrophobicContact CG-CB 4.14Å; F21-L71 HydrophobicContact CE2-CB 4.36Å; F21-L71 HydrophobicContact CZ-CB 4.22Å
22	S	92	Very high	93.1	Very high	55 Å²	55	38.2 Å²	38.2	39%	0.385	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-66.4	-16.9	179	56	0	0	0	0	114.4	T20 S45	T20-S22 PolarHBondContact O-N 2.98Å; T20-S22 VanDerWaalsContact O-N 3.14Å; S22-S45 WeakPolarHBondContact O-CB 3.29Å
23	S	90.5	Very high	92.9	Very high	70 Å²	70	43 Å²	43	49%	0.49	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-85.9	-11.1	178.7	-56	0	0	0	0	113.6	T20 F21	T20-S23 VanDerWaalsContact CG2-OG 3.31Å; T20-S23 WeakPolarHBondContact CG2-OG 3.45Å; T20-S23 WeakPolarHBondContact O-CB 3.3Å; T20-S23 PolarHBondContact O-N 2.92Å; F21-S23 PolarHBondContact O-N 2.76Å
24	Y	90.3	Very high	92.7	Very high	58 Å²	58	44.1 Å²	44.1	23%	0.227	29%	0.288	C	S	.	.	S	Bend	trans	-122.3	149.5	-172	-62.3	-88	0	0	0	113.3	F19 T20 F21 S45 R64 R90 Y92	F19-Y24 HydrophobicContact CB-CE2 4.45Å; F19-Y24 AromaticContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CD2 3.68Å; F19-Y24 HydrophobicContact CD2-CE2 4.12Å; F19-Y24 HydrophobicContact CD2-CG 4.48Å; F19-Y24 HydrophobicContact CE2-CD2 4.24Å; T20-Y24 VanDerWaalsContact O-CD2 3.28Å; T20-Y24 WeakPolarHBondContact O-CD2 3.45Å; F21-Y24 PolarHBondContact O-N 2.86Å; Y24-S45 VanDerWaalsContact O-CA 3.29Å; Y24-S45 WeakPolarHBondContact O-CA 3.37Å; Y24-R64 PolarHBondContact O-NH1 2.74Å; Y24-R90 HydrophobicContact CD1-CG 4Å; Y24-R90 HydrophobicContact CG-CG 3.85Å; Y24-Y92 AromaticContact CD1-CD2 3.74Å; Y24-Y92 HydrophobicContact CD1-CD2 3.74Å; Y24-Y92 AromaticContact CE1-CD2 3.59Å; Y24-Y92 HydrophobicContact CE1-CD2 3.59Å; Y24-Y92 HydrophobicContact CE1-CE2 4.22Å; Y24-Y92 HydrophobicContact CE1-CG 4.47Å
25	G	92.3	Very high	92.4	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	150.6	162.7	0	0	0	0	0	109.9	I43 H91	G25-I43 VanDerWaalsContact CA-O 3.31Å; G25-I43 WeakPolarHBondContact CA-O 3.43Å; G25-H91 CarbonylContact C-O 3.59Å; G25-H91 WeakPolarHBondContact CA-O 3.27Å; G25-H91 PolarHBondContact N-O 2.83Å; G25-H91 PolarHBondContact O-N 3.14Å
26	M	94.3	Very high	92.2	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.02	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	151.3	-176.8	-65.8	-63	-55.2	0	0	109.4	F19 F21 I43 L71 R90	F19-M26 HydrophobicContact CE2-SD 4.08Å; F19-M26 HydrophobicContact CZ-CE 4.34Å; F19-M26 HydrophobicContact CZ-SD 4.03Å; F21-M26 HydrophobicContact CD2-CE 4.44Å; F21-M26 HydrophobicContact CD2-CG 4.02Å; F21-M26 HydrophobicContact CD2-SD 4.04Å; F21-M26 HydrophobicContact CE2-CB 4.48Å; F21-M26 HydrophobicContact CE2-CE 4.01Å; F21-M26 HydrophobicContact CE2-CG 3.49Å; F21-M26 VanDerWaalsContact CE2-CG 3.49Å; F21-M26 HydrophobicContact CE2-SD 3.92Å; F21-M26 HydrophobicContact CZ-CG 4Å; M26-I43 HydrophobicContact CB-CG2 4.17Å; M26-I43 PolarHBondContact N-O 2.93Å; M26-I43 WeakPolarHBondContact O-CG2 3.35Å; M26-I43 PolarHBondContact O-N 3.16Å; M26-L71 HydrophobicContact CB-CD1 3.75Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.36Å; M26-R90 HydrophobicContact SD-CB 4.01Å; M26-R90 HydrophobicContact SD-CG 4.12Å
27	S	95.3	Very high	92.3	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	158.7	-171.1	-53.6	0	0	0	0	111.9	W39 A41 T42 C88 A89	S27-W39 VanDerWaalsContact CB-CZ2 3.43Å; S27-A41 CarbonylContact C-O 3.49Å; S27-A41 WeakPolarHBondContact CA-O 3.3Å; S27-A41 VanDerWaalsContact CB-O 3.28Å; S27-A41 WeakPolarHBondContact CB-O 3.41Å; S27-T42 WeakPolarHBondContact CB-OG1 3.44Å; S27-T42 WeakPolarHBondContact OG-CB 3.38Å; S27-T42 VanDerWaalsContact OG-CG2 3.28Å; S27-T42 WeakPolarHBondContact OG-CG2 3.25Å; S27-T42 PolarHBondContact OG-OG1 3.11Å; S27-C88 CarbonylContact O-C 3.5Å; S27-C88 VanDerWaalsContact O-CA 3.32Å; S27-C88 WeakPolarHBondContact O-CA 3.42Å; S27-A89 PolarHBondContact N-O 2.95Å; S27-A89 PolarHBondContact O-N 2.83Å
28	W	96.5	Very high	92.5	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.9	176.5	-80.1	100.1	0	0	0	111	L12 C14 W39 V40 A41 L71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.81Å; L12-W28 HydrophobicContact CB-CZ2 3.99Å; L12-W28 HydrophobicContact CB-CZ3 4.36Å; L12-W28 HydrophobicContact CD1-CH2 4.45Å; L12-W28 HydrophobicContact CD1-CZ3 4.18Å; C14-W28 HydrophobicContact CB-CH2 3.86Å; C14-W28 HydrophobicContact CB-CZ2 3.84Å; W28-W39 WeakPolarHBondContact O-CZ3 3.44Å; W28-V40 HydrophobicContact CB-CB 4.18Å; W28-V40 WeakPolarHBondContact O-CA 3.18Å; W28-V40 WeakPolarHBondContact O-CB 3.28Å; W28-V40 PolarHBondContact O-N 3.01Å; W28-A41 PolarHBondContact N-O 2.75Å; W28-A41 PolarHBondContact O-N 2.88Å; W28-L71 HydrophobicContact CD2-CD2 4.45Å; W28-L71 HydrophobicContact CG-CD2 4.28Å; W28-L71 VanDerWaalsContact NE1-CD2 3.26Å; W28-L73 HydrophobicContact CB-CD2 4.11Å; W28-L73 HydrophobicContact CD2-CB 4.19Å; W28-L73 HydrophobicContact CD2-CD2 4.3Å; W28-L73 HydrophobicContact CG-CB 4.11Å; W28-L73 HydrophobicContact CG-CD1 4.46Å; W28-L73 HydrophobicContact CG-CD2 3.97Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.47Å; W28-Y87 CarbonylContact C-O 3.53Å; W28-Y87 WeakPolarHBondContact CA-O 3.3Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.28Å
29	V	95.7	Very high	92.7	Very high	7 Å²	7	55 Å²	55	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	147.4	174.1	-173.4	0	0	0	0	107.2	L37 E38 W39 Y86 Y87 A89 W102	V29-L37 HydrophobicContact CG1-CB 4.25Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.05Å; V29-E38 WeakPolarHBondContact CG1-O 3.35Å; V29-W39 HydrophobicContact CB-CE3 4.35Å; V29-W39 HydrophobicContact CB-CZ3 4Å; V29-W39 HydrophobicContact CG2-CD2 4.32Å; V29-W39 HydrophobicContact CG2-CE3 3.62Å; V29-W39 HydrophobicContact CG2-CH2 3.33Å; V29-W39 HydrophobicContact CG2-CZ2 4.32Å; V29-W39 HydrophobicContact CG2-CZ3 3Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; V29-Y87 PolarHBondContact N-O 3.42Å; V29-Y87 PolarHBondContact O-N 2.92Å; V29-A89 HydrophobicContact CG2-CB 4.45Å; V29-W102 HydrophobicContact CB-CH2 3.99Å; V29-W102 HydrophobicContact CB-CZ3 3.66Å; V29-W102 HydrophobicContact CG1-CH2 3.91Å; V29-W102 HydrophobicContact CG1-CZ3 3.85Å; V29-W102 HydrophobicContact CG2-CH2 3.57Å; V29-W102 HydrophobicContact CG2-CZ2 4.49Å; V29-W102 HydrophobicContact CG2-CZ3 3.64Å
30	R	96	Very high	93.2	Very high	14 Å²	14	53 Å²	53	5%	0.053	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.1	166.7	71.5	-177.5	-178.7	-176.3	6.2	111.5	L37 E38 V40 D82 A84 M85 Y86	R30-L37 CarbonylContact O-C 3.52Å; R30-L37 WeakPolarHBondContact O-CA 3.27Å; R30-E38 HydrophobicContact CG-CB 3.98Å; R30-E38 IonicContact CZ-OE2 2.89Å; R30-E38 VanDerWaalsContact CZ-OE2 3.3Å; R30-E38 PolarHBondContact N-O 3.42Å; R30-E38 IonicContact NE-OE2 3.83Å; R30-E38 PolarHBondContact NE-OE2 3.22Å; R30-E38 IonicContact NH2-OE2 2.98Å; R30-E38 PolarHBondContact NH2-OE2 3.25Å; R30-E38 PolarHBondContact O-N 3.03Å; R30-V40 HydrophobicContact CB-CG2 3.77Å; R30-V40 HydrophobicContact CG-CG2 3.6Å; R30-D82 IonicContact NH1-OD1 3.16Å; R30-D82 PolarHBondContact NH1-OD1 2.97Å; R30-A84 HydrophobicContact CB-CB 3.83Å; R30-A84 HydrophobicContact CG-CB 4.14Å; R30-M85 CarbonylContact C-O 3.58Å; R30-M85 WeakPolarHBondContact CA-O 3.12Å; R30-Y86 HydrophobicContact CB-CD1 3.87Å; R30-Y86 HydrophobicContact CB-CD2 4.44Å; R30-Y86 HydrophobicContact CB-CE1 3.82Å; R30-Y86 HydrophobicContact CB-CE2 4.37Å; R30-Y86 HydrophobicContact CB-CG 4.18Å; R30-Y86 HydrophobicContact CG-CE1 4.46Å; R30-Y86 PolarHBondContact NH1-OH 2.8Å
31	Q	95.9	Very high	93.5	Very high	63 Å²	63	48.9 Å²	48.9	29%	0.294	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.2	167.1	-170.6	174.7	45.7	0	0	108.7	R36 L37 A84 M85 Y87	Q31-R36 WeakPolarHBondContact CA-O 3.49Å; Q31-L37 HydrophobicContact CB-CD2 3.75Å; Q31-L37 HydrophobicContact CG-CD2 4.11Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.23Å; Q31-M85 HydrophobicContact CB-CB 4.41Å; Q31-M85 PolarHBondContact N-O 2.89Å; Q31-M85 PolarHBondContact O-N 3.36Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 PolarHBondContact OE1-OH 2.98Å
32	T	93.9	Very high	93.6	Very high	12 Å²	12	49.4 Å²	49.4	7%	0.074	25%	0.247	C	C	.	.			trans	-71.2	163.9	176.7	48.7	0	0	0	0	111	D34 K35 R36 E38	T32-D34 WeakPolarHBondContact CB-OD1 3.47Å; T32-D34 PolarHBondContact O-N 2.94Å; T32-D34 VanDerWaalsContact O-N 3.17Å; T32-D34 PolarHBondContact OG1-OD1 3.25Å; T32-K35 WeakPolarHBondContact O-CA 3.39Å; T32-K35 PolarHBondContact O-N 2.92Å; T32-R36 PolarHBondContact N-O 3.1Å; T32-R36 WeakPolarHBondContact OG1-CB 3.34Å; T32-R36 PolarHBondContact OG1-N 3.04Å; T32-R36 PolarHBondContact OG1-O 3.24Å; T32-R36 VanDerWaalsContact OG1-O 3.05Å; T32-E38 HydrophobicContact CG2-CG 4.47Å
33	P	90.5	Very high	93.8	Very high	106 Å²	106	47.1 Å²	47.1	69%	0.688	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-28	-178.6	-27.7	36.4	0	0	0	114.9	K35 T83	P33-K35 PolarHBondContact O-N 3.17Å; P33-T83 WeakPolarHBondContact CD-O 2.96Å
34	D	92.7	Very high	93.9	Very high	106 Å²	106	44.2 Å²	44.2	57%	0.567	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	11.5	171.9	65.8	-32.8	0	0	0	113.4	T32 R36	T32-D34 WeakPolarHBondContact CB-OD1 3.47Å; T32-D34 PolarHBondContact O-N 2.94Å; T32-D34 VanDerWaalsContact O-N 3.17Å; T32-D34 PolarHBondContact OG1-OD1 3.25Å; D34-R36 PolarHBondContact O-N 3.13Å
35	K	89.6	Confident	94	Very high	166 Å²	166	43.5 Å²	43.5	72%	0.722	21%	0.214	S	C	*	.			trans	66.9	12.3	177.4	-53.1	-179	179.7	179.3	0	115.1	T32 P33	T32-K35 WeakPolarHBondContact O-CA 3.39Å; T32-K35 PolarHBondContact O-N 2.92Å; P33-K35 PolarHBondContact O-N 3.17Å
36	R	92.5	Very high	93.7	Very high	142 Å²	142	46.3 Å²	46.3	54%	0.536	24%	0.243	S	C	.	.			trans	-73.8	131.9	173.2	-177.7	171.7	70.3	-153.3	2	110.3	Q31 T32 D34 E38	Q31-R36 WeakPolarHBondContact CA-O 3.49Å; T32-R36 PolarHBondContact N-O 3.1Å; T32-R36 WeakPolarHBondContact OG1-CB 3.34Å; T32-R36 PolarHBondContact OG1-N 3.04Å; T32-R36 PolarHBondContact OG1-O 3.24Å; T32-R36 VanDerWaalsContact OG1-O 3.05Å; D34-R36 PolarHBondContact O-N 3.13Å; R36-E38 HydrophobicContact CG-CG 4.21Å; R36-E38 IonicContact CZ-OE1 2.86Å; R36-E38 IonicContact NE-OE1 2.8Å; R36-E38 PolarHBondContact NE-OE1 3.02Å; R36-E38 IonicContact NH2-OE1 3.3Å; R36-E38 PolarHBondContact NH2-OE1 2.8Å
37	L	93	Very high	93.6	Very high	98 Å²	98	47.5 Å²	47.5	51%	0.513	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.2	171.5	-71.4	170.4	0	0	0	109.6	V29 R30 Q31	V29-L37 HydrophobicContact CG1-CB 4.25Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; R30-L37 CarbonylContact O-C 3.52Å; R30-L37 WeakPolarHBondContact O-CA 3.27Å; Q31-L37 HydrophobicContact CB-CD2 3.75Å; Q31-L37 HydrophobicContact CG-CD2 4.11Å
38	E	94.1	Very high	93.3	Very high	36 Å²	36	52.9 Å²	52.9	17%	0.168	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.7	-179.2	-63.7	-176.1	168.2	0	0	110.5	V29 R30 T32 R36	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.05Å; V29-E38 WeakPolarHBondContact CG1-O 3.35Å; R30-E38 HydrophobicContact CG-CB 3.98Å; R30-E38 IonicContact CZ-OE2 2.89Å; R30-E38 VanDerWaalsContact CZ-OE2 3.3Å; R30-E38 PolarHBondContact N-O 3.42Å; R30-E38 IonicContact NE-OE2 3.83Å; R30-E38 PolarHBondContact NE-OE2 3.22Å; R30-E38 IonicContact NH2-OE2 2.98Å; R30-E38 PolarHBondContact NH2-OE2 3.25Å; R30-E38 PolarHBondContact O-N 3.03Å; T32-E38 HydrophobicContact CG2-CG 4.47Å; R36-E38 HydrophobicContact CG-CG 4.21Å; R36-E38 IonicContact CZ-OE1 2.86Å; R36-E38 IonicContact NE-OE1 2.8Å; R36-E38 PolarHBondContact NE-OE1 3.02Å; R36-E38 IonicContact NH2-OE1 3.3Å; R36-E38 PolarHBondContact NH2-OE1 2.8Å
39	W	93.4	Very high	93.2	Very high	83 Å²	83	58.2 Å²	58.2	31%	0.314	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	138.5	168.5	-109.9	145.9	0	0	0	110.5	S27 W28 V29 P53 F99	S27-W39 VanDerWaalsContact CB-CZ2 3.43Å; W28-W39 WeakPolarHBondContact O-CZ3 3.44Å; V29-W39 HydrophobicContact CB-CE3 4.35Å; V29-W39 HydrophobicContact CB-CZ3 4Å; V29-W39 HydrophobicContact CG2-CD2 4.32Å; V29-W39 HydrophobicContact CG2-CE3 3.62Å; V29-W39 HydrophobicContact CG2-CH2 3.33Å; V29-W39 HydrophobicContact CG2-CZ2 4.32Å; V29-W39 HydrophobicContact CG2-CZ3 3Å; W39-P53 VanDerWaalsContact O-CG 3.23Å; W39-P53 WeakPolarHBondContact O-CG 3.2Å; W39-F99 AromaticContact CE2-CZ 3.88Å; W39-F99 HydrophobicContact CH2-CD1 4.23Å; W39-F99 AromaticContact CH2-CE1 3.46Å; W39-F99 HydrophobicContact CH2-CE1 3.46Å; W39-F99 VanDerWaalsContact CH2-CE1 3.46Å; W39-F99 AromaticContact CH2-CZ 3.83Å; W39-F99 HydrophobicContact CH2-CZ 3.83Å; W39-F99 HydrophobicContact CZ2-CD1 4.3Å; W39-F99 AromaticContact CZ2-CE1 3.18Å; W39-F99 HydrophobicContact CZ2-CE1 3.18Å; W39-F99 HydrophobicContact CZ2-CE2 4.13Å; W39-F99 AromaticContact CZ2-CZ 3.11Å; W39-F99 HydrophobicContact CZ2-CZ 3.11Å
40	V	96.2	Very high	93.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-49.9	175.5	-174.4	0	0	0	0	111.3	W28 R30 P53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.18Å; W28-V40 WeakPolarHBondContact O-CA 3.18Å; W28-V40 WeakPolarHBondContact O-CB 3.28Å; W28-V40 PolarHBondContact O-N 3.01Å; R30-V40 HydrophobicContact CB-CG2 3.77Å; R30-V40 HydrophobicContact CG-CG2 3.6Å; V40-P53 WeakPolarHBondContact O-CD 3.46Å; V40-V56 HydrophobicContact CG1-CG1 4.39Å; V40-V56 HydrophobicContact CG1-CG2 4.26Å; V40-V56 VanDerWaalsContact O-CG2 3.26Å; V40-V56 WeakPolarHBondContact O-CG2 3.19Å; V40-F60 HydrophobicContact CG1-CD2 3.54Å; V40-F60 HydrophobicContact CG1-CE2 3.93Å; V40-L73 HydrophobicContact CG1-CD2 3.9Å; V40-Y86 HydrophobicContact CG1-CE1 4.35Å; V40-Y86 HydrophobicContact CG2-CD1 4.32Å; V40-Y86 HydrophobicContact CG2-CE1 3.99Å
41	A	96.6	Very high	93.2	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	153.4	177.7	0	0	0	0	0	111.7	S27 W28 Y51 Y52 I62 L73	S27-A41 CarbonylContact C-O 3.49Å; S27-A41 WeakPolarHBondContact CA-O 3.3Å; S27-A41 VanDerWaalsContact CB-O 3.28Å; S27-A41 WeakPolarHBondContact CB-O 3.41Å; W28-A41 PolarHBondContact N-O 2.75Å; W28-A41 PolarHBondContact O-N 2.88Å; A41-Y51 CarbonylContact C-O 3.48Å; A41-Y51 VanDerWaalsContact CA-O 3.29Å; A41-Y51 WeakPolarHBondContact CA-O 3.49Å; A41-Y52 HydrophobicContact CB-CD1 3.68Å; A41-Y52 HydrophobicContact CB-CE1 3.72Å; A41-I62 HydrophobicContact CB-CB 3.77Å; A41-I62 HydrophobicContact CB-CD1 3.89Å; A41-I62 HydrophobicContact CB-CG1 4.37Å; A41-I62 HydrophobicContact CB-CG2 4Å; A41-L73 HydrophobicContact CB-CD1 4.08Å
42	T	95.1	Very high	93.2	Very high	11 Å²	11	64.3 Å²	64.3	7%	0.067	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.4	173.2	-68.6	0	0	0	0	110.3	S27 T50 Y51	S27-T42 WeakPolarHBondContact CB-OG1 3.44Å; S27-T42 WeakPolarHBondContact OG-CB 3.38Å; S27-T42 VanDerWaalsContact OG-CG2 3.28Å; S27-T42 WeakPolarHBondContact OG-CG2 3.25Å; S27-T42 PolarHBondContact OG-OG1 3.11Å; T42-T50 CarbonylContact O-C 3.6Å; T42-T50 WeakPolarHBondContact O-CA 3.38Å; T42-Y51 PolarHBondContact N-O 2.8Å; T42-Y51 PolarHBondContact O-N 3.33Å
43	I	95.1	Very high	93.3	Very high	7 Å²	7	64.9 Å²	64.9	4%	0.036	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.8	173.7	-171	160.6	0	0	0	110.4	G25 M26 Y49 T50 I62 R64 L71	G25-I43 VanDerWaalsContact CA-O 3.31Å; G25-I43 WeakPolarHBondContact CA-O 3.43Å; M26-I43 HydrophobicContact CB-CG2 4.17Å; M26-I43 PolarHBondContact N-O 2.93Å; M26-I43 WeakPolarHBondContact O-CG2 3.35Å; M26-I43 PolarHBondContact O-N 3.16Å; I43-Y49 WeakPolarHBondContact CA-O 3.12Å; I43-T50 HydrophobicContact CB-CG2 4.15Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.84Å; I43-I62 HydrophobicContact CB-CD1 4.04Å; I43-I62 HydrophobicContact CB-CG1 4.26Å; I43-I62 HydrophobicContact CB-CG2 3.97Å; I43-I62 HydrophobicContact CG2-CD1 3.73Å; I43-I62 HydrophobicContact CG2-CG1 4.04Å; I43-R64 HydrophobicContact CD1-CB 4.31Å; I43-R64 HydrophobicContact CD1-CG 3.78Å; I43-R64 HydrophobicContact CG1-CG 4.43Å; I43-L71 HydrophobicContact CG2-CD1 3.56Å
44	S	93.3	Very high	93.5	Very high	9 Å²	9	66.4 Å²	66.4	6%	0.063	35%	0.348	C	S	.	.			trans	-69	165.4	177.3	66.3	0	0	0	0	112.5	G46 G47 S48 Y49 R64	S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3Å; S44-G47 PolarHBondContact O-N 2.76Å; S44-G47 PolarHBondContact OG-N 3.29Å; S44-S48 PolarHBondContact OG-N 3.17Å; S44-S48 PolarHBondContact OG-OG 2.67Å; S44-Y49 PolarHBondContact N-O 2.68Å; S44-Y49 PolarHBondContact OG-N 2.95Å; S44-Y49 VanDerWaalsContact OG-N 3.15Å; S44-R64 PolarHBondContact O-NH1 3.46Å
45	S	91.6	Very high	93.5	Very high	44 Å²	44	64.4 Å²	64.4	31%	0.308	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-44.7	176.8	50.9	0	0	0	0	113.5	S22 Y24 R64	S22-S45 WeakPolarHBondContact O-CB 3.29Å; Y24-S45 VanDerWaalsContact O-CA 3.29Å; Y24-S45 WeakPolarHBondContact O-CA 3.37Å; S45-R64 PolarHBondContact O-NE 3.3Å; S45-R64 PolarHBondContact O-NH1 2.81Å; S45-R64 VanDerWaalsContact O-NH1 3.08Å; S45-R64 PolarHBondContact O-NH2 2.97Å
46	G	86.5	Confident	93.8	Very high	60 Å²	60	56.6 Å²	56.6	62%	0.619	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.8	177.2	0	0	0	0	0	115	S44 S48	S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3Å; G46-S48 PolarHBondContact O-N 3.22Å
47	G	91	Very high	93.9	Very high	29 Å²	29	56.4 Å²	56.4	30%	0.299	31%	0.312	S	S	.	.	S	Bend	trans	75.4	1	-176.3	0	0	0	0	0	115.5	S44 Y49	S44-G47 PolarHBondContact O-N 2.76Å; S44-G47 PolarHBondContact OG-N 3.29Å; G47-Y49 VanDerWaalsContact C-N 3.32Å; G47-Y49 PolarHBondContact O-N 2.9Å
48	S	90.9	Very high	94	Very high	114 Å²	114	55.6 Å²	55.6	80%	0.797	33%	0.328	S	S	*	.			trans	-72.1	-23.9	-178.1	55.6	0	0	0	0	114	S44 G46	S44-S48 PolarHBondContact OG-N 3.17Å; S44-S48 PolarHBondContact OG-OG 2.67Å; G46-S48 PolarHBondContact O-N 3.22Å
49	Y	93.7	Very high	94.1	Very high	116 Å²	116	55.5 Å²	55.5	46%	0.455	33%	0.326	S	S	.	.			trans	-121.1	132.3	-179.5	174.5	-93.7	0	0	0	109.7	I43 S44 G47 Y93	I43-Y49 WeakPolarHBondContact CA-O 3.12Å; S44-Y49 PolarHBondContact N-O 2.68Å; S44-Y49 PolarHBondContact OG-N 2.95Å; S44-Y49 VanDerWaalsContact OG-N 3.15Å; G47-Y49 VanDerWaalsContact C-N 3.32Å; G47-Y49 PolarHBondContact O-N 2.9Å; Y49-Y93 VanDerWaalsContact CD1-OH 3.26Å; Y49-Y93 WeakPolarHBondContact CD1-OH 3.31Å
50	T	95.9	Very high	94.3	Very high	59 Å²	59	51.8 Å²	51.8	36%	0.362	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146	170.9	57.1	0	0	0	0	110.5	T42 I43 I62	T42-T50 CarbonylContact O-C 3.6Å; T42-T50 WeakPolarHBondContact O-CA 3.38Å; I43-T50 HydrophobicContact CB-CG2 4.15Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.84Å; T50-I62 HydrophobicContact CG2-CG2 3.78Å
51	Y	95.3	Very high	94.4	Very high	110 Å²	110	55.4 Å²	55.4	43%	0.431	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.1	175.3	173.2	-96.2	0	0	0	110.3	A41 T42	A41-Y51 CarbonylContact C-O 3.48Å; A41-Y51 VanDerWaalsContact CA-O 3.29Å; A41-Y51 WeakPolarHBondContact CA-O 3.49Å; T42-Y51 PolarHBondContact N-O 2.8Å; T42-Y51 PolarHBondContact O-N 3.33Å
52	Y	96.4	Very high	94.5	Very high	43 Å²	43	55.7 Å²	55.7	17%	0.169	34%	0.335	C	S	.	.			trans	-137.6	134.7	175.9	-54.2	-89.2	0	0	0	109.1	A41 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.68Å; A41-Y52 HydrophobicContact CB-CE1 3.72Å; Y52-F60 VanDerWaalsContact CE1-O 3.26Å; Y52-F60 WeakPolarHBondContact CE1-O 3.49Å; Y52-T61 WeakPolarHBondContact OH-CA 3.05Å; Y52-I62 HydrophobicContact CE1-CB 4.26Å; Y52-I62 HydrophobicContact CE1-CG2 3.96Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.45Å; Y52-I62 PolarHBondContact OH-N 3.37Å
53	P	95.3	Very high	94.6	Very high	23 Å²	23	57.3 Å²	57.3	15%	0.149	35%	0.347	C	S	.	.			trans	-72.4	157.2	167.9	27.1	-24.1	0	0	0	111.1	W39 V40 S55 V56 K57	W39-P53 VanDerWaalsContact O-CG 3.23Å; W39-P53 WeakPolarHBondContact O-CG 3.2Å; V40-P53 WeakPolarHBondContact O-CD 3.46Å; P53-S55 PolarHBondContact O-N 2.87Å; P53-S55 VanDerWaalsContact O-N 3.1Å; P53-V56 HydrophobicContact CG-CG2 3.98Å; P53-V56 PolarHBondContact O-N 2.97Å; P53-V56 VanDerWaalsContact O-N 3.13Å; P53-K57 WeakPolarHBondContact O-CB 3.26Å; P53-K57 PolarHBondContact O-N 3.49Å
54	D	94.6	Very high	94.7	Very high	139 Å²	139	58.7 Å²	58.7	74%	0.743	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.9	-174.3	-65.2	-34.2	0	0	0	113.6	V56	D54-V56 PolarHBondContact O-N 3Å
55	S	92.7	Very high	94.8	Very high	64 Å²	64	60.3 Å²	60.3	45%	0.448	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.6	177.8	56.4	0	0	0	0	114.2	P53 R59	P53-S55 PolarHBondContact O-N 2.87Å; P53-S55 VanDerWaalsContact O-N 3.1Å; S55-R59 PolarHBondContact O-NH2 3.07Å
56	V	95.9	Very high	95	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.006	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-6.7	-175.5	-58	0	0	0	0	113.5	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.39Å; V40-V56 HydrophobicContact CG1-CG2 4.26Å; V40-V56 VanDerWaalsContact O-CG2 3.26Å; V40-V56 WeakPolarHBondContact O-CG2 3.19Å; P53-V56 HydrophobicContact CG-CG2 3.98Å; P53-V56 PolarHBondContact O-N 2.97Å; P53-V56 VanDerWaalsContact O-N 3.13Å; D54-V56 PolarHBondContact O-N 3Å; V56-G58 PolarHBondContact O-N 3.39Å; V56-R59 PolarHBondContact O-N 2.95Å; V56-F60 HydrophobicContact CB-CB 4.24Å; V56-F60 HydrophobicContact CB-CD2 3.58Å; V56-F60 HydrophobicContact CB-CE2 4.01Å; V56-F60 HydrophobicContact CB-CG 3.91Å; V56-F60 HydrophobicContact CG1-CD2 3.66Å; V56-F60 HydrophobicContact CG1-CE2 3.56Å; V56-F60 HydrophobicContact CG1-CG 4.39Å; V56-F60 HydrophobicContact CG1-CZ 4.22Å; V56-F60 HydrophobicContact CG2-CD2 4.19Å; V56-F60 PolarHBondContact O-N 3.3Å; V56-F60 VanDerWaalsContact O-N 3.07Å
57	K	94.7	Very high	95.3	Very high	138 Å²	138	63 Å²	63	60%	0.6	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	132.2	179.2	-167	173.2	-175.7	178.3	0	110.9	P53 R59	P53-K57 WeakPolarHBondContact O-CB 3.26Å; P53-K57 PolarHBondContact O-N 3.49Å; K57-R59 PolarHBondContact O-N 2.77Å
58	G	95.4	Very high	95.6	Very high	82 Å²	82	67.9 Å²	67.9	85%	0.845	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-8.3	-177.2	0	0	0	0	0	115.2	V56	V56-G58 PolarHBondContact O-N 3.39Å
59	R	97.3	Very high	95.8	Very high	34 Å²	34	65.5 Å²	65.5	13%	0.128	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-39.3	175.8	-61.6	-167.5	-57.4	117	0.5	112.2	S55 V56 K57 S76 S77 D82	S55-R59 PolarHBondContact O-NH2 3.07Å; V56-R59 PolarHBondContact O-N 2.95Å; K57-R59 PolarHBondContact O-N 2.77Å; R59-S76 WeakPolarHBondContact CB-O 3.2Å; R59-S76 WeakPolarHBondContact O-CB 3.49Å; R59-S76 PolarHBondContact O-N 3.08Å; R59-S77 PolarHBondContact NH1-O 2.02Å; R59-D82 IonicContact CZ-OD1 3.77Å; R59-D82 IonicContact CZ-OD2 2.68Å; R59-D82 IonicContact NH1-OD1 2.94Å; R59-D82 IonicContact NH1-OD2 3.33Å; R59-D82 PolarHBondContact NH1-OD2 2.98Å; R59-D82 IonicContact NH2-OD1 3.46Å; R59-D82 PolarHBondContact NH2-OD1 2.89Å; R59-D82 IonicContact NH2-OD2 2.74Å; R59-D82 PolarHBondContact NH2-OD2 3.41Å
60	F	97.6	Very high	95.9	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	146	-175.8	-62.9	1.1	0	0	0	111.1	V40 Y52 V56 L73 Q74 M75 L78 D82	V40-F60 HydrophobicContact CG1-CD2 3.54Å; V40-F60 HydrophobicContact CG1-CE2 3.93Å; Y52-F60 VanDerWaalsContact CE1-O 3.26Å; Y52-F60 WeakPolarHBondContact CE1-O 3.49Å; V56-F60 HydrophobicContact CB-CB 4.24Å; V56-F60 HydrophobicContact CB-CD2 3.58Å; V56-F60 HydrophobicContact CB-CE2 4.01Å; V56-F60 HydrophobicContact CB-CG 3.91Å; V56-F60 HydrophobicContact CG1-CD2 3.66Å; V56-F60 HydrophobicContact CG1-CE2 3.56Å; V56-F60 HydrophobicContact CG1-CG 4.39Å; V56-F60 HydrophobicContact CG1-CZ 4.22Å; V56-F60 HydrophobicContact CG2-CD2 4.19Å; V56-F60 PolarHBondContact O-N 3.3Å; V56-F60 VanDerWaalsContact O-N 3.07Å; F60-L73 HydrophobicContact CB-CD1 4.28Å; F60-L73 HydrophobicContact CD2-CD2 4.38Å; F60-Q74 CarbonylContact C-O 3.58Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.38Å; F60-M75 HydrophobicContact CD1-CB 3.76Å; F60-M75 HydrophobicContact CD1-CG 3.74Å; F60-M75 HydrophobicContact CD2-CG 3.89Å; F60-M75 HydrophobicContact CE1-CB 3.71Å; F60-M75 HydrophobicContact CE1-CG 3.8Å; F60-M75 HydrophobicContact CE2-CG 3.92Å; F60-M75 HydrophobicContact CG-CB 4.33Å; F60-M75 HydrophobicContact CG-CG 3.82Å; F60-M75 HydrophobicContact CZ-CB 4.2Å; F60-M75 HydrophobicContact CZ-CG 3.89Å; F60-L78 HydrophobicContact CE1-CD2 3.96Å; F60-L78 HydrophobicContact CZ-CD2 3.93Å; F60-D82 HydrophobicContact CZ-CB 4.22Å
61	T	98	Very high	96	Very high	76 Å²	76	57.9 Å²	57.9	47%	0.466	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	115.4	-180	-55	0	0	0	0	109.7	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.05Å; T61-Q74 PolarHBondContact N-O 2.79Å; T61-Q74 PolarHBondContact O-N 2.91Å
62	I	98.1	Very high	96.1	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.3	172.3	-165.3	169.9	0	0	0	109.5	A41 I43 T50 Y52 L71 Y72 L73	A41-I62 HydrophobicContact CB-CB 3.77Å; A41-I62 HydrophobicContact CB-CD1 3.89Å; A41-I62 HydrophobicContact CB-CG1 4.37Å; A41-I62 HydrophobicContact CB-CG2 4Å; I43-I62 HydrophobicContact CB-CD1 4.04Å; I43-I62 HydrophobicContact CB-CG1 4.26Å; I43-I62 HydrophobicContact CB-CG2 3.97Å; I43-I62 HydrophobicContact CG2-CD1 3.73Å; I43-I62 HydrophobicContact CG2-CG1 4.04Å; T50-I62 HydrophobicContact CG2-CG2 3.78Å; Y52-I62 HydrophobicContact CE1-CB 4.26Å; Y52-I62 HydrophobicContact CE1-CG2 3.96Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.45Å; Y52-I62 PolarHBondContact OH-N 3.37Å; I62-L71 HydrophobicContact CD1-CD1 3.95Å; I62-L71 HydrophobicContact CD1-CD2 4.38Å; I62-L71 HydrophobicContact CD1-CG 4.45Å; I62-L71 HydrophobicContact CG1-CD1 3.94Å; I62-L71 HydrophobicContact CG1-CG 4.46Å; I62-Y72 WeakPolarHBondContact CA-O 3.28Å; I62-L73 HydrophobicContact CB-CD1 4.21Å
63	S	97.4	Very high	96.2	Very high	46 Å²	46	52.6 Å²	52.6	32%	0.322	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	162.5	172.3	53.3	0	0	0	0	110.3	Y72	S63-Y72 PolarHBondContact N-O 2.9Å; S63-Y72 PolarHBondContact O-N 2.81Å
64	R	96.9	Very high	96.3	Very high	36 Å²	36	54.6 Å²	54.6	14%	0.136	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.3	-177.7	65.4	-178.3	-68.9	152.2	4.2	110.9	F21 Y24 I43 S44 S45 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.26Å; F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 VanDerWaalsContact CE1-NH2 3.28Å; F21-R64 HydrophobicContact CZ-CB 4.19Å; F21-R64 PolarHBondContact O-NH2 2.81Å; Y24-R64 PolarHBondContact O-NH1 2.74Å; I43-R64 HydrophobicContact CD1-CB 4.31Å; I43-R64 HydrophobicContact CD1-CG 3.78Å; I43-R64 HydrophobicContact CG1-CG 4.43Å; S44-R64 PolarHBondContact O-NH1 3.46Å; S45-R64 PolarHBondContact O-NE 3.3Å; S45-R64 PolarHBondContact O-NH1 2.81Å; S45-R64 VanDerWaalsContact O-NH1 3.08Å; S45-R64 PolarHBondContact O-NH2 2.97Å; R64-N66 PolarHBondContact NE-OD1 2.84Å; R64-N66 PolarHBondContact NH2-OD1 3.03Å; R64-T70 WeakPolarHBondContact CA-O 3.27Å; R64-L71 HydrophobicContact CB-CD1 4.21Å
65	D	96.3	Very high	96.4	Very high	43 Å²	43	48 Å²	48	23%	0.23	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	109.6	170.4	-175.9	-25.4	0	0	0	108.4	A67 K68 N69 T70 Y72	D65-A67 WeakPolarHBondContact OD1-CB 2.89Å; D65-A67 PolarHBondContact OD1-N 3Å; D65-K68 HydrophobicContact CB-CB 4.18Å; D65-K68 PolarHBondContact OD1-N 3.06Å; D65-K68 WeakPolarHBondContact OD2-CD 3.32Å; D65-K68 VanDerWaalsContact OD2-CE 3.24Å; D65-K68 WeakPolarHBondContact OD2-CE 3.02Å; D65-K68 WeakPolarHBondContact OD2-CG 3.4Å; D65-K68 IonicContact OD2-NZ 2.66Å; D65-N69 WeakPolarHBondContact O-CA 3.33Å; D65-N69 PolarHBondContact O-N 2.89Å; D65-T70 PolarHBondContact N-O 3.14Å; D65-T70 PolarHBondContact O-N 2.82Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å
66	N	94.7	Very high	96.6	Very high	63 Å²	63	46.8 Å²	46.8	34%	0.337	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-27.3	-178.2	-75.3	-13.1	0	0	0	113	F21 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.46Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.16Å; R64-N66 PolarHBondContact NE-OD1 2.84Å; R64-N66 PolarHBondContact NH2-OD1 3.03Å; N66-K68 VanDerWaalsContact C-N 3.32Å; N66-N69 PolarHBondContact O-OD1 2.91Å
67	A	94.1	Very high	96.5	Very high	96 Å²	96	50 Å²	50	79%	0.793	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-32.8	176.7	0	0	0	0	0	110.9	D65	D65-A67 WeakPolarHBondContact OD1-CB 2.89Å; D65-A67 PolarHBondContact OD1-N 3Å
68	K	95.7	Very high	96.6	Very high	133 Å²	133	43.5 Å²	43.5	58%	0.578	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	1.1	178.3	-60.3	-177.7	-167.2	166.5	0	114.2	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.18Å; D65-K68 PolarHBondContact OD1-N 3.06Å; D65-K68 WeakPolarHBondContact OD2-CD 3.32Å; D65-K68 VanDerWaalsContact OD2-CE 3.24Å; D65-K68 WeakPolarHBondContact OD2-CE 3.02Å; D65-K68 WeakPolarHBondContact OD2-CG 3.4Å; D65-K68 IonicContact OD2-NZ 2.66Å; N66-K68 VanDerWaalsContact C-N 3.32Å; K68-T70 PolarHBondContact O-N 2.91Å; K68-T70 VanDerWaalsContact O-N 3.1Å; K68-T70 PolarHBondContact O-OG1 2.95Å
69	N	95.4	Very high	96.6	Very high	64 Å²	64	44.6 Å²	44.6	34%	0.342	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	38.2	-172.4	-60.1	-42.1	0	0	0	112.9	A16 F21 D65 N66	A16-N69 WeakPolarHBondContact CB-O 3.36Å; A16-N69 PolarHBondContact N-O 2.86Å; F21-N69 HydrophobicContact CB-CB 3.89Å; F21-N69 WeakPolarHBondContact CB-OD1 3.32Å; F21-N69 HydrophobicContact CD1-CB 4.42Å; F21-N69 HydrophobicContact CG-CB 4.14Å; D65-N69 WeakPolarHBondContact O-CA 3.33Å; D65-N69 PolarHBondContact O-N 2.89Å; N66-N69 PolarHBondContact O-OD1 2.91Å
70	T	96.7	Very high	96.3	Very high	14 Å²	14	46 Å²	46	9%	0.086	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.3	-170.5	-57.6	0	0	0	0	111.4	C14 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.37Å; C14-T70 WeakPolarHBondContact O-CA 3.31Å; R64-T70 WeakPolarHBondContact CA-O 3.27Å; D65-T70 PolarHBondContact N-O 3.14Å; D65-T70 PolarHBondContact O-N 2.82Å; K68-T70 PolarHBondContact O-N 2.91Å; K68-T70 VanDerWaalsContact O-N 3.1Å; K68-T70 PolarHBondContact O-OG1 2.95Å; T70-Y72 HydrophobicContact CG2-CD1 4.09Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.45Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.45Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.28Å
71	L	97.5	Very high	96.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139.5	171	-171.2	70.6	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 3.3Å; S13-L71 WeakPolarHBondContact CA-O 3.08Å; C14-L71 HydrophobicContact CB-CB 4.39Å; C14-L71 PolarHBondContact N-O 2.66Å; C14-L71 PolarHBondContact O-N 2.83Å; F21-L71 HydrophobicContact CE2-CB 4.36Å; F21-L71 HydrophobicContact CZ-CB 4.22Å; M26-L71 HydrophobicContact CB-CD1 3.75Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.36Å; W28-L71 HydrophobicContact CD2-CD2 4.45Å; W28-L71 HydrophobicContact CG-CD2 4.28Å; W28-L71 VanDerWaalsContact NE1-CD2 3.26Å; I43-L71 HydrophobicContact CG2-CD1 3.56Å; I62-L71 HydrophobicContact CD1-CD1 3.95Å; I62-L71 HydrophobicContact CD1-CD2 4.38Å; I62-L71 HydrophobicContact CD1-CG 4.45Å; I62-L71 HydrophobicContact CG1-CD1 3.94Å; I62-L71 HydrophobicContact CG1-CG 4.46Å; R64-L71 HydrophobicContact CB-CD1 4.21Å; L71-C88 HydrophobicContact CD2-CB 4.1Å
72	Y	97.8	Very high	95.9	Very high	43 Å²	43	48.6 Å²	48.6	17%	0.169	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.8	178	-57.2	-75.4	0	0	0	111.4	K11 L12 I62 S63 D65 T70	K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; L12-Y72 VanDerWaalsContact O-CA 3.27Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; I62-Y72 WeakPolarHBondContact CA-O 3.28Å; S63-Y72 PolarHBondContact N-O 2.9Å; S63-Y72 PolarHBondContact O-N 2.81Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å; T70-Y72 HydrophobicContact CG2-CD1 4.09Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.45Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.45Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.28Å
73	L	98.1	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	106.4	168.5	-170.6	67.5	0	0	0	108.5	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.16Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 PolarHBondContact N-O 2.93Å; L12-L73 PolarHBondContact O-N 2.94Å; W28-L73 HydrophobicContact CB-CD2 4.11Å; W28-L73 HydrophobicContact CD2-CB 4.19Å; W28-L73 HydrophobicContact CD2-CD2 4.3Å; W28-L73 HydrophobicContact CG-CB 4.11Å; W28-L73 HydrophobicContact CG-CD1 4.46Å; W28-L73 HydrophobicContact CG-CD2 3.97Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.47Å; V40-L73 HydrophobicContact CG1-CD2 3.9Å; A41-L73 HydrophobicContact CB-CD1 4.08Å; F60-L73 HydrophobicContact CB-CD1 4.28Å; F60-L73 HydrophobicContact CD2-CD2 4.38Å; I62-L73 HydrophobicContact CB-CD1 4.21Å; L73-M75 HydrophobicContact CD2-CG 3.94Å; L73-M75 HydrophobicContact CD2-SD 3.76Å; L73-M75 HydrophobicContact CG-CG 3.9Å; L73-M75 HydrophobicContact CG-SD 4.15Å; L73-Y86 HydrophobicContact CD2-CD1 4.32Å; L73-Y86 HydrophobicContact CD2-CE1 4.44Å
74	Q	97.8	Very high	95.8	Very high	65 Å²	65	48 Å²	48	30%	0.304	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.4	168.4	-176.7	63.4	44	0	0	107.9	L10 F60 T61	L10-Q74 PolarHBondContact O-NE2 2.47Å; F60-Q74 CarbonylContact C-O 3.58Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.38Å; T61-Q74 PolarHBondContact N-O 2.79Å; T61-Q74 PolarHBondContact O-N 2.91Å
75	M	97	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.7	-179.6	-69.8	148.8	40.6	0	0	108.4	S9 L10 L12 F60 L73 L78 L108	S9-M75 CarbonylContact C-O 3.43Å; S9-M75 WeakPolarHBondContact CA-O 3.26Å; S9-M75 WeakPolarHBondContact CB-O 3.38Å; L10-M75 HydrophobicContact CB-CE 4.41Å; L10-M75 HydrophobicContact CD2-CE 4.4Å; L10-M75 PolarHBondContact N-O 3.27Å; L10-M75 PolarHBondContact O-N 3.17Å; L12-M75 HydrophobicContact CD1-CE 4.49Å; L12-M75 HydrophobicContact CD1-SD 3.68Å; L12-M75 HydrophobicContact CG-SD 3.75Å; F60-M75 HydrophobicContact CD1-CB 3.76Å; F60-M75 HydrophobicContact CD1-CG 3.74Å; F60-M75 HydrophobicContact CD2-CG 3.89Å; F60-M75 HydrophobicContact CE1-CB 3.71Å; F60-M75 HydrophobicContact CE1-CG 3.8Å; F60-M75 HydrophobicContact CE2-CG 3.92Å; F60-M75 HydrophobicContact CG-CB 4.33Å; F60-M75 HydrophobicContact CG-CG 3.82Å; F60-M75 HydrophobicContact CZ-CB 4.2Å; F60-M75 HydrophobicContact CZ-CG 3.89Å; L73-M75 HydrophobicContact CD2-CG 3.94Å; L73-M75 HydrophobicContact CD2-SD 3.76Å; L73-M75 HydrophobicContact CG-CG 3.9Å; L73-M75 HydrophobicContact CG-SD 4.15Å; M75-L78 HydrophobicContact CB-CD2 4.05Å; M75-L78 HydrophobicContact CB-CG 4.33Å; M75-L78 HydrophobicContact CE-CD1 4.12Å; M75-L78 HydrophobicContact CE-CD2 3.56Å; M75-L78 HydrophobicContact CE-CG 4.38Å; M75-L108 HydrophobicContact CE-CD1 4.18Å; M75-L108 HydrophobicContact CE-CD2 3.13Å; M75-L108 HydrophobicContact CE-CG 4.22Å
76	S	96.1	Very high	95.8	Very high	38 Å²	38	47.1 Å²	47.1	27%	0.266	26%	0.259	S	S	.	.			trans	-116.9	158	178.6	-54.6	0	0	0	0	110.1	R59 L78	R59-S76 WeakPolarHBondContact CB-O 3.2Å; R59-S76 WeakPolarHBondContact O-CB 3.49Å; R59-S76 PolarHBondContact O-N 3.08Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.95Å
77	S	95.1	Very high	95.9	Very high	69 Å²	69	46 Å²	46	48%	0.483	25%	0.251	S	S	.	.	S	Bend	trans	50.6	51.2	178.9	-54.3	0	0	0	0	111.7	G8 R59	G8-S77 PolarHBondContact O-N 3.3Å; R59-S77 PolarHBondContact NH1-O 2.02Å
78	L	95.6	Very high	95.9	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.217	C	C	.	.			trans	-61.7	141	-178.8	-80.9	168	0	0	0	111.4	V4 P6 G7 G8 L10 F60 M75 S76 D82 L108 V110	V4-L78 HydrophobicContact CB-CD1 4.15Å; V4-L78 HydrophobicContact CG1-CD1 3.9Å; V4-L78 HydrophobicContact CG2-CD1 4.39Å; P6-L78 CarbonylContact C-O 3.44Å; P6-L78 WeakPolarHBondContact CA-O 3.41Å; G7-L78 PolarHBondContact N-O 2.95Å; G8-L78 PolarHBondContact O-N 2.81Å; G8-L78 VanDerWaalsContact O-N 3.08Å; L10-L78 HydrophobicContact CB-CD1 4.14Å; F60-L78 HydrophobicContact CE1-CD2 3.96Å; F60-L78 HydrophobicContact CZ-CD2 3.93Å; M75-L78 HydrophobicContact CB-CD2 4.05Å; M75-L78 HydrophobicContact CB-CG 4.33Å; M75-L78 HydrophobicContact CE-CD1 4.12Å; M75-L78 HydrophobicContact CE-CD2 3.56Å; M75-L78 HydrophobicContact CE-CG 4.38Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.95Å; L78-D82 HydrophobicContact CD2-CB 3.82Å; L78-L108 HydrophobicContact CD2-CD2 4.02Å; L78-V110 HydrophobicContact CB-CG1 4.26Å; L78-V110 HydrophobicContact CB-CG2 4.13Å; L78-V110 HydrophobicContact CD1-CG2 4.4Å; L78-V110 HydrophobicContact CD2-CG2 4.27Å
79	K	94.6	Very high	95.8	Very high	104 Å²	104	35.7 Å²	35.7	45%	0.452	19%	0.189	S	C	.	.			trans	-120.4	162.2	177.4	-51	177.4	177.1	-179.6	0	110.1	E81 D82 V110	K79-E81 WeakPolarHBondContact CB-OE2 3.38Å; K79-E81 PolarHBondContact O-N 3.08Å; K79-D82 PolarHBondContact N-OD2 2.8Å; K79-D82 WeakPolarHBondContact O-CB 3.46Å; K79-D82 PolarHBondContact O-N 2.79Å; K79-V110 WeakPolarHBondContact O-CB 3.26Å; K79-V110 WeakPolarHBondContact O-CG1 3.25Å
80	S	92.4	Very high	95.6	Very high	64 Å²	64	33.7 Å²	33.7	45%	0.448	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-57.3	-32.3	178.6	-54.4	0	0	0	0	112.1	D82 T83	S80-D82 PolarHBondContact O-N 2.97Å; S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.38Å; S80-T83 PolarHBondContact O-N 3.42Å; S80-T83 VanDerWaalsContact O-N 3.16Å; S80-T83 PolarHBondContact O-OG1 2.98Å
81	E	92.6	Very high	94.8	Very high	133 Å²	133	33.5 Å²	33.5	62%	0.621	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-69.9	-11.9	177.2	-50.5	79.6	-162	0	0	113.5	K79 T83	K79-E81 WeakPolarHBondContact CB-OE2 3.38Å; K79-E81 PolarHBondContact O-N 3.08Å; E81-T83 VanDerWaalsContact C-N 3.25Å
82	D	95	Very high	93.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.011	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-82.7	-4	174.3	-59.7	-48.8	0	0	0	112.7	R30 R59 F60 L78 K79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.16Å; R30-D82 PolarHBondContact NH1-OD1 2.97Å; R59-D82 IonicContact CZ-OD1 3.77Å; R59-D82 IonicContact CZ-OD2 2.68Å; R59-D82 IonicContact NH1-OD1 2.94Å; R59-D82 IonicContact NH1-OD2 3.33Å; R59-D82 PolarHBondContact NH1-OD2 2.98Å; R59-D82 IonicContact NH2-OD1 3.46Å; R59-D82 PolarHBondContact NH2-OD1 2.89Å; R59-D82 IonicContact NH2-OD2 2.74Å; R59-D82 PolarHBondContact NH2-OD2 3.41Å; F60-D82 HydrophobicContact CZ-CB 4.22Å; L78-D82 HydrophobicContact CD2-CB 3.82Å; K79-D82 PolarHBondContact N-OD2 2.8Å; K79-D82 WeakPolarHBondContact O-CB 3.46Å; K79-D82 PolarHBondContact O-N 2.79Å; S80-D82 PolarHBondContact O-N 2.97Å; D82-A84 PolarHBondContact O-N 3.45Å; D82-A84 VanDerWaalsContact O-N 3.17Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 2.78Å
83	T	95.5	Very high	91.5	Very high	35 Å²	35	43.4 Å²	43.4	22%	0.215	21%	0.214	C	C	.	.			trans	-61.9	113.4	173.3	-63.6	0	0	0	0	110.4	P33 S80 E81 L108 T109 V110	P33-T83 WeakPolarHBondContact CD-O 2.96Å; S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.38Å; S80-T83 PolarHBondContact O-N 3.42Å; S80-T83 VanDerWaalsContact O-N 3.16Å; S80-T83 PolarHBondContact O-OG1 2.98Å; E81-T83 VanDerWaalsContact C-N 3.25Å; T83-L108 WeakPolarHBondContact CA-O 3.47Å; T83-T109 HydrophobicContact CG2-CG2 4.44Å; T83-V110 PolarHBondContact OG1-N 3.3Å; T83-V110 PolarHBondContact OG1-O 3.15Å
84	A	96.3	Very high	89.7	Confident	5 Å²	5	45.2 Å²	45.2	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	169.3	-176	0	0	0	0	0	111	R30 Q31 D82 Y86 L108	R30-A84 HydrophobicContact CB-CB 3.83Å; R30-A84 HydrophobicContact CG-CB 4.14Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.23Å; D82-A84 PolarHBondContact O-N 3.45Å; D82-A84 VanDerWaalsContact O-N 3.17Å; A84-Y86 HydrophobicContact CB-CD2 4.29Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-Y86 WeakPolarHBondContact O-CD2 3.02Å; A84-L108 PolarHBondContact N-O 3.3Å; A84-L108 VanDerWaalsContact N-O 3.11Å; A84-L108 PolarHBondContact O-N 3.34Å
85	M	96.8	Very high	87.4	Confident	58 Å²	58	48.4 Å²	48.4	29%	0.286	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.6	163.2	-170.2	73.4	75.4	0	0	109.3	R30 Q31 Y87 T107	R30-M85 CarbonylContact C-O 3.58Å; R30-M85 WeakPolarHBondContact CA-O 3.12Å; Q31-M85 HydrophobicContact CB-CB 4.41Å; Q31-M85 PolarHBondContact N-O 2.89Å; Q31-M85 PolarHBondContact O-N 3.36Å; M85-Y87 HydrophobicContact CB-CE2 3.81Å; M85-Y87 HydrophobicContact CG-CD2 4.37Å; M85-Y87 HydrophobicContact CG-CE1 3.98Å; M85-Y87 HydrophobicContact CG-CE2 3.53Å; M85-Y87 VanDerWaalsContact CG-OH 3.27Å; M85-Y87 WeakPolarHBondContact CG-OH 3.36Å; M85-T107 WeakPolarHBondContact CE-OG1 3.39Å; M85-T107 PolarHBondContact SD-N 2.85Å; M85-T107 PolarHBondContact SD-OG1 3.47Å
86	Y	97.1	Very high	85.3	Confident	1 Å²	1	50.4 Å²	50.4	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.6	-177.9	-73.7	-101.7	0	0	0	111	L12 V29 R30 V40 L73 D82 A84 G105 T106 L108	L12-Y86 HydrophobicContact CD1-CD1 4Å; L12-Y86 HydrophobicContact CD1-CD2 4.31Å; L12-Y86 HydrophobicContact CD1-CG 3.72Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; R30-Y86 HydrophobicContact CB-CD1 3.87Å; R30-Y86 HydrophobicContact CB-CD2 4.44Å; R30-Y86 HydrophobicContact CB-CE1 3.82Å; R30-Y86 HydrophobicContact CB-CE2 4.37Å; R30-Y86 HydrophobicContact CB-CG 4.18Å; R30-Y86 HydrophobicContact CG-CE1 4.46Å; R30-Y86 PolarHBondContact NH1-OH 2.8Å; V40-Y86 HydrophobicContact CG1-CE1 4.35Å; V40-Y86 HydrophobicContact CG2-CD1 4.32Å; V40-Y86 HydrophobicContact CG2-CE1 3.99Å; L73-Y86 HydrophobicContact CD2-CD1 4.32Å; L73-Y86 HydrophobicContact CD2-CE1 4.44Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 2.78Å; A84-Y86 HydrophobicContact CB-CD2 4.29Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-Y86 WeakPolarHBondContact O-CD2 3.02Å; Y86-G105 CarbonylContact O-C 3.58Å; Y86-G105 WeakPolarHBondContact O-CA 3.5Å; Y86-T106 PolarHBondContact N-O 3.01Å; Y86-T106 PolarHBondContact O-N 2.85Å; Y86-L108 HydrophobicContact CD2-CB 3.85Å; Y86-L108 HydrophobicContact CD2-CD2 4.4Å; Y86-L108 HydrophobicContact CE2-CB 3.73Å; Y86-L108 HydrophobicContact CE2-CD2 3.63Å; Y86-L108 HydrophobicContact CE2-CG 4.35Å
87	Y	96	Very high	83.4	Confident	41 Å²	41	57.2 Å²	57.2	16%	0.161	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.1	-179.3	-55.3	-90.4	0	0	0	109.8	W28 V29 Q31 M85 W102 G103	W28-Y87 CarbonylContact C-O 3.53Å; W28-Y87 WeakPolarHBondContact CA-O 3.3Å; V29-Y87 PolarHBondContact N-O 3.42Å; V29-Y87 PolarHBondContact O-N 2.92Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 PolarHBondContact OE1-OH 2.98Å; M85-Y87 HydrophobicContact CB-CE2 3.81Å; M85-Y87 HydrophobicContact CG-CD2 4.37Å; M85-Y87 HydrophobicContact CG-CE1 3.98Å; M85-Y87 HydrophobicContact CG-CE2 3.53Å; M85-Y87 VanDerWaalsContact CG-OH 3.27Å; M85-Y87 WeakPolarHBondContact CG-OH 3.36Å; Y87-W102 HydrophobicContact CG-CE3 4.16Å; Y87-W102 HydrophobicContact CG-CZ3 4.42Å; Y87-G103 WeakPolarHBondContact CD1-O 3.47Å
88	C	94.8	Very high	81.6	Confident	11 Å²	11	61 Å²	61	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	141	161.8	53.4	0	0	0	0	109.2	C14 S27 W28 L71 W102 G103	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.44Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.5Å; S27-C88 CarbonylContact O-C 3.5Å; S27-C88 VanDerWaalsContact O-CA 3.32Å; S27-C88 WeakPolarHBondContact O-CA 3.42Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.28Å; L71-C88 HydrophobicContact CD2-CB 4.1Å; C88-W102 CarbonylContact O-C 3.47Å; C88-W102 WeakPolarHBondContact O-CA 3.36Å; C88-G103 PolarHBondContact O-N 3.35Å
89	A	93.4	Very high	80.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.1	176.6	0	0	0	0	0	110.8	S27 V29 F99 Y101 W102	S27-A89 PolarHBondContact N-O 2.95Å; S27-A89 PolarHBondContact O-N 2.83Å; V29-A89 HydrophobicContact CG2-CB 4.45Å; A89-F99 HydrophobicContact CB-CB 4.46Å; A89-F99 HydrophobicContact CB-CD1 3.69Å; A89-F99 HydrophobicContact CB-CE1 4.47Å; A89-F99 HydrophobicContact CB-CG 4.37Å; A89-Y101 VanDerWaalsContact CA-O 3.27Å; A89-Y101 WeakPolarHBondContact CA-O 3.45Å; A89-W102 HydrophobicContact CB-CD2 3.99Å; A89-W102 HydrophobicContact CB-CE3 4.23Å; A89-W102 HydrophobicContact CB-CG 4.37Å; A89-W102 HydrophobicContact CB-CZ2 4.49Å
90	R	90.9	Very high	79	Confident	23 Å²	23	63 Å²	63	9%	0.087	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.7	172.1	-174.6	-170.2	79.4	173.9	4.7	109.5	F19 Y24 M26 F99 D100 Y101	F19-R90 HydrophobicContact CE2-CG 4.13Å; F19-R90 HydrophobicContact CZ-CB 4.34Å; F19-R90 HydrophobicContact CZ-CG 4.33Å; Y24-R90 HydrophobicContact CD1-CG 4Å; Y24-R90 HydrophobicContact CG-CG 3.85Å; M26-R90 HydrophobicContact SD-CB 4.01Å; M26-R90 HydrophobicContact SD-CG 4.12Å; R90-F99 WeakPolarHBondContact O-CA 3.49Å; R90-F99 VanDerWaalsContact O-CD1 3.28Å; R90-F99 WeakPolarHBondContact O-CD1 3.48Å; R90-D100 IonicContact CZ-OD2 3.64Å; R90-D100 IonicContact NH2-OD2 3.87Å; R90-D100 PolarHBondContact NH2-OD2 2.72Å; R90-Y101 PolarHBondContact N-O 2.77Å
91	H	80.8	Confident	78.4	Confident	9 Å²	9	65.6 Å²	65.6	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.2	169.9	130.7	-108.4	0	0	0	111.3	G25 Y93 Y97 F99	G25-H91 CarbonylContact C-O 3.59Å; G25-H91 WeakPolarHBondContact CA-O 3.27Å; G25-H91 PolarHBondContact N-O 2.83Å; G25-H91 PolarHBondContact O-N 3.14Å; H91-Y93 AromaticContact CE1-CD2 3.64Å; H91-Y93 AromaticContact CE1-CE2 3.36Å; H91-Y93 WeakPolarHBondContact CE1-CE2 3.38Å; H91-Y93 AromaticContact CE1-CZ 3.66Å; H91-Y93 AromaticContact NE2-CD2 3.97Å; H91-Y97 AromaticContact CD2-CD1 3.99Å; H91-Y97 AromaticContact NE2-CD1 3.94Å; H91-F99 HydrophobicContact CB-CD1 4Å; H91-F99 HydrophobicContact CB-CE1 3.44Å; H91-F99 VanDerWaalsContact CB-CE1 3.44Å; H91-F99 HydrophobicContact CB-CZ 4.16Å
92	Y	66.5	Low	78.3	Confident	128 Å²	128	64.3 Å²	64.3	50%	0.502	31%	0.306	S	S	.	.			trans	-104.7	128.7	178.8	-173.8	-107.9	0	0	0	111.4	Y24 G94	Y24-Y92 AromaticContact CD1-CD2 3.74Å; Y24-Y92 HydrophobicContact CD1-CD2 3.74Å; Y24-Y92 AromaticContact CE1-CD2 3.59Å; Y24-Y92 HydrophobicContact CE1-CD2 3.59Å; Y24-Y92 HydrophobicContact CE1-CE2 4.22Å; Y24-Y92 HydrophobicContact CE1-CG 4.47Å; Y92-G94 VanDerWaalsContact C-N 3.3Å; Y92-G94 PolarHBondContact O-N 3.25Å
93	Y	58.7	Low	78	Confident	123 Å²	123	65.4 Å²	65.4	48%	0.482	32%	0.317	S	S	.	.	S	Bend	trans	-76.7	82.4	170.8	-82	-90.4	0	0	0	109	Y49 H91	Y49-Y93 VanDerWaalsContact CD1-OH 3.26Å; Y49-Y93 WeakPolarHBondContact CD1-OH 3.31Å; H91-Y93 AromaticContact CE1-CD2 3.64Å; H91-Y93 AromaticContact CE1-CE2 3.36Å; H91-Y93 WeakPolarHBondContact CE1-CE2 3.38Å; H91-Y93 AromaticContact CE1-CZ 3.66Å; H91-Y93 AromaticContact NE2-CD2 3.97Å
94	G	60.9	Low	77.8	Confident	39 Å²	39	72.8 Å²	72.8	40%	0.402	35%	0.349	S	S	.	.	S	Bend	trans	-143.9	-165.1	172.6	0	0	0	0	0	110.8	Y92 S96	Y92-G94 VanDerWaalsContact C-N 3.3Å; Y92-G94 PolarHBondContact O-N 3.25Å; G94-S96 PolarHBondContact O-N 3.3Å
95	S	48.5	Very low	77.5	Confident	131 Å²	131	74.1 Å²	74.1	92%	0.916	36%	0.363	S	S	*	.	S	Bend	trans	-68.4	4.7	-179.4	50	0	0	0	0	115
96	S	54.2	Low	77.4	Confident	42 Å²	42	73.4 Å²	73.4	29%	0.294	36%	0.362	S	S	.	.	S	Bend	trans	-154.1	126.5	177.6	-60.9	0	0	0	0	111.6	G94 Y98	G94-S96 PolarHBondContact O-N 3.3Å; S96-Y98 PolarHBondContact O-N 3.1Å; S96-Y98 WeakPolarHBondContact OG-CE2 3.38Å
97	Y	55.9	Low	77.3	Confident	181 Å²	181	76.2 Å²	76.2	71%	0.71	38%	0.379	S	S	*	.			trans	-73.8	61.9	175.1	-61.5	-81.2	0	0	0	111.2	H91	H91-Y97 AromaticContact CD2-CD1 3.99Å; H91-Y97 AromaticContact NE2-CD1 3.94Å
98	Y	56.8	Low	77.1	Confident	150 Å²	150	74.3 Å²	74.3	59%	0.588	37%	0.372	S	S	*	.			trans	-83.8	124	177.4	-65.1	-64.9	0	0	0	110.9	S96 D100	S96-Y98 PolarHBondContact O-N 3.1Å; S96-Y98 WeakPolarHBondContact OG-CE2 3.38Å; Y98-D100 WeakPolarHBondContact CB-OD1 3.41Å; Y98-D100 PolarHBondContact O-N 2.82Å
99	F	63.7	Low	77	Confident	56 Å²	56	76.3 Å²	76.3	25%	0.246	38%	0.384	C	S	.	.			trans	-92.8	79.2	168.6	-62.2	-76.5	0	0	0	109.3	W39 A89 R90 H91 Y101 W102	W39-F99 AromaticContact CE2-CZ 3.88Å; W39-F99 HydrophobicContact CH2-CD1 4.23Å; W39-F99 AromaticContact CH2-CE1 3.46Å; W39-F99 HydrophobicContact CH2-CE1 3.46Å; W39-F99 VanDerWaalsContact CH2-CE1 3.46Å; W39-F99 AromaticContact CH2-CZ 3.83Å; W39-F99 HydrophobicContact CH2-CZ 3.83Å; W39-F99 HydrophobicContact CZ2-CD1 4.3Å; W39-F99 AromaticContact CZ2-CE1 3.18Å; W39-F99 HydrophobicContact CZ2-CE1 3.18Å; W39-F99 HydrophobicContact CZ2-CE2 4.13Å; W39-F99 AromaticContact CZ2-CZ 3.11Å; W39-F99 HydrophobicContact CZ2-CZ 3.11Å; A89-F99 HydrophobicContact CB-CB 4.46Å; A89-F99 HydrophobicContact CB-CD1 3.69Å; A89-F99 HydrophobicContact CB-CE1 4.47Å; A89-F99 HydrophobicContact CB-CG 4.37Å; R90-F99 WeakPolarHBondContact O-CA 3.49Å; R90-F99 VanDerWaalsContact O-CD1 3.28Å; R90-F99 WeakPolarHBondContact O-CD1 3.48Å; H91-F99 HydrophobicContact CB-CD1 4Å; H91-F99 HydrophobicContact CB-CE1 3.44Å; H91-F99 VanDerWaalsContact CB-CE1 3.44Å; H91-F99 HydrophobicContact CB-CZ 4.16Å; F99-Y101 VanDerWaalsContact C-N 3.26Å; F99-Y101 PolarHBondContact O-N 2.98Å; F99-W102 HydrophobicContact CB-CZ2 3.87Å; F99-W102 HydrophobicContact CD2-CZ2 4.36Å; F99-W102 HydrophobicContact CG-CZ2 4.1Å; F99-W102 PolarHBondContact O-NE1 2.85Å
100	D	71.8	Confident	76.8	Confident	92 Å²	92	76.5 Å²	76.5	49%	0.492	39%	0.385	S	S	.	.			trans	-77	-17	-174.8	-43.5	-50.3	0	0	0	112.8	R90 Y98	R90-D100 IonicContact CZ-OD2 3.64Å; R90-D100 IonicContact NH2-OD2 3.87Å; R90-D100 PolarHBondContact NH2-OD2 2.72Å; Y98-D100 WeakPolarHBondContact CB-OD1 3.41Å; Y98-D100 PolarHBondContact O-N 2.82Å
101	Y	80.9	Confident	76.5	Confident	117 Å²	117	77.9 Å²	77.9	46%	0.459	40%	0.399	S	S	.	.			trans	-132.8	124	-177.6	-67.8	-93.9	0	0	0	111.1	A89 R90 F99	A89-Y101 VanDerWaalsContact CA-O 3.27Å; A89-Y101 WeakPolarHBondContact CA-O 3.45Å; R90-Y101 PolarHBondContact N-O 2.77Å; F99-Y101 VanDerWaalsContact C-N 3.26Å; F99-Y101 PolarHBondContact O-N 2.98Å
102	W	90.1	Very high	76.1	Confident	107 Å²	107	84.6 Å²	84.6	41%	0.405	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-121.4	141.3	176.4	-67.8	70.3	0	0	0	109.7	V29 Y87 C88 A89 F99	V29-W102 HydrophobicContact CB-CH2 3.99Å; V29-W102 HydrophobicContact CB-CZ3 3.66Å; V29-W102 HydrophobicContact CG1-CH2 3.91Å; V29-W102 HydrophobicContact CG1-CZ3 3.85Å; V29-W102 HydrophobicContact CG2-CH2 3.57Å; V29-W102 HydrophobicContact CG2-CZ2 4.49Å; V29-W102 HydrophobicContact CG2-CZ3 3.64Å; Y87-W102 HydrophobicContact CG-CE3 4.16Å; Y87-W102 HydrophobicContact CG-CZ3 4.42Å; C88-W102 CarbonylContact O-C 3.47Å; C88-W102 WeakPolarHBondContact O-CA 3.36Å; A89-W102 HydrophobicContact CB-CD2 3.99Å; A89-W102 HydrophobicContact CB-CE3 4.23Å; A89-W102 HydrophobicContact CB-CG 4.37Å; A89-W102 HydrophobicContact CB-CZ2 4.49Å; F99-W102 HydrophobicContact CB-CZ2 3.87Å; F99-W102 HydrophobicContact CD2-CZ2 4.36Å; F99-W102 HydrophobicContact CG-CZ2 4.1Å; F99-W102 PolarHBondContact O-NE1 2.85Å
103	G	89.4	Confident	76.6	Confident	25 Å²	25	82.5 Å²	82.5	26%	0.258	44%	0.444	S	S	.	.			trans	-69.1	164.6	166.2	0	0	0	0	0	111.4	Y87 C88 G105	Y87-G103 WeakPolarHBondContact CD1-O 3.47Å; C88-G103 PolarHBondContact O-N 3.35Å; G103-G105 PolarHBondContact O-N 3.31Å; G103-G105 VanDerWaalsContact O-N 3.14Å
104	Q	90.1	Very high	77.5	Confident	190 Å²	190	80.3 Å²	80.3	89%	0.888	44%	0.442	S	S	*	.			trans	-64	-17.6	178.1	-66.4	-64.2	-38.4	0	0	113.6
105	G	91.3	Very high	78.5	Confident	32 Å²	32	82.6 Å²	82.6	33%	0.33	44%	0.444	S	S	.	.			trans	88.9	157.5	-177.7	0	0	0	0	0	113	Y86 G103	Y86-G105 CarbonylContact O-C 3.58Å; Y86-G105 WeakPolarHBondContact O-CA 3.5Å; G103-G105 PolarHBondContact O-N 3.31Å; G103-G105 VanDerWaalsContact O-N 3.14Å
106	T	94	Very high	80.2	Confident	43 Å²	43	79.8 Å²	79.8	26%	0.264	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.7	171.6	-173.5	0	0	0	0	110.5	L12 Y86	L12-T106 HydrophobicContact CD1-CG2 4.21Å; L12-T106 HydrophobicContact CD2-CG2 3.95Å; Y86-T106 PolarHBondContact N-O 3.01Å; Y86-T106 PolarHBondContact O-N 2.85Å
107	T	93.8	Very high	81.9	Confident	60 Å²	60	82.1 Å²	82.1	37%	0.368	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128	179.7	-45.4	0	0	0	0	109.9	G1 D2 M85	G1-T107 CarbonylContact C-O 3.51Å; G1-T107 WeakPolarHBondContact CA-O 3.45Å; D2-T107 PolarHBondContact N-O 3.31Å; M85-T107 WeakPolarHBondContact CE-OG1 3.39Å; M85-T107 PolarHBondContact SD-N 2.85Å; M85-T107 PolarHBondContact SD-OG1 3.47Å
108	L	92.2	Very high	83.6	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.005	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.2	166.8	176.3	73.1	0	0	0	109	V4 L10 M75 L78 T83 A84 Y86 V110	V4-L108 HydrophobicContact CG2-CD1 4.11Å; L10-L108 HydrophobicContact CD2-CD1 3.38Å; M75-L108 HydrophobicContact CE-CD1 4.18Å; M75-L108 HydrophobicContact CE-CD2 3.13Å; M75-L108 HydrophobicContact CE-CG 4.22Å; L78-L108 HydrophobicContact CD2-CD2 4.02Å; T83-L108 WeakPolarHBondContact CA-O 3.47Å; A84-L108 PolarHBondContact N-O 3.3Å; A84-L108 VanDerWaalsContact N-O 3.11Å; A84-L108 PolarHBondContact O-N 3.34Å; Y86-L108 HydrophobicContact CD2-CB 3.85Å; Y86-L108 HydrophobicContact CD2-CD2 4.4Å; Y86-L108 HydrophobicContact CE2-CB 3.73Å; Y86-L108 HydrophobicContact CE2-CD2 3.63Å; Y86-L108 HydrophobicContact CE2-CG 4.35Å; L108-V110 HydrophobicContact CD2-CG2 4.09Å; L108-V110 HydrophobicContact CG-CG2 4.14Å
109	T	92.6	Very high	85.5	Confident	54 Å²	54	70.2 Å²	70.2	33%	0.331	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.3	172.4	-55.9	0	0	0	0	109.7	D2 L3 V4 T83	D2-T109 PolarHBondContact O-N 3.02Å; L3-T109 WeakPolarHBondContact CA-O 3.24Å; L3-T109 HydrophobicContact CD1-CG2 3.76Å; V4-T109 PolarHBondContact N-O 3.04Å; T83-T109 HydrophobicContact CG2-CG2 4.44Å
110	V	89.6	Confident	87.2	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.024	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	103.8	174.8	-172.9	0	0	0	0	109	V4 P6 L78 K79 T83 L108	V4-V110 VanDerWaalsContact O-CA 3.25Å; V4-V110 WeakPolarHBondContact O-CA 3.14Å; P6-V110 HydrophobicContact CB-CG1 4.46Å; P6-V110 HydrophobicContact CG-CG1 4.12Å; L78-V110 HydrophobicContact CB-CG1 4.26Å; L78-V110 HydrophobicContact CB-CG2 4.13Å; L78-V110 HydrophobicContact CD1-CG2 4.4Å; L78-V110 HydrophobicContact CD2-CG2 4.27Å; K79-V110 WeakPolarHBondContact O-CB 3.26Å; K79-V110 WeakPolarHBondContact O-CG1 3.25Å; T83-V110 PolarHBondContact OG1-N 3.3Å; T83-V110 PolarHBondContact OG1-O 3.15Å; L108-V110 HydrophobicContact CD2-CG2 4.09Å; L108-V110 HydrophobicContact CG-CG2 4.14Å
111	S	85.2	Confident	88.5	Confident	52 Å²	52	69.6 Å²	69.6	36%	0.364	40%	0.395	S	S	.	.			trans	-145.2	154	-179.9	65.5	0	0	0	0	111.4	L3 V4	L3-S111 WeakPolarHBondContact CD1-OG 3.33Å; V4-S111 PolarHBondContact O-N 2.94Å
112	S	72.6	Confident	89.2	Confident	150 Å²	150	65.3 Å²	65.3	100%	1.049	39%	0.39	S	S	*	.			trans	-74.7	0	177.2	57.4	0	0	0	0	112.8

Retrieved 112 of 112 residues in 22.9 ms (Link to these results)

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