X5J5N1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5N1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 108 aa.

						>X5J5N1_MOUSE|X5J5N1
AELMKPGASVKLSCKATGYTFTGYWIEWVKQRPGHGLEWIGEILPGSGSTNYNEKFKGKATFTADTSSNTAYMQLSSLTSEDSAVYFCARLLPSMDYWGQGTSVTVSS
					

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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	A	62.5	Low	89	Confident	112 Å²	112	78.5 Å²	78.5	93%	0.926	47%	0.465	S	S	*	.				0	131.5	0	0	0	0	0	0	107.6	S103	A1-S103 CarbonylContact C-O 3.48Å; A1-S103 WeakPolarHBondContact CA-O 3.45Å
2	E	75.7	Confident	89.6	Confident	93 Å²	93	72.5 Å²	72.5	44%	0.435	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.1	176.2	-125.1	-179	150	0	0	109	M4 V10 S103 T105	E2-M4 HydrophobicContact CB-CE 3.56Å; E2-M4 HydrophobicContact CG-CE 3.22Å; E2-M4 WeakPolarHBondContact OE1-CE 3.28Å; E2-V10 VanDerWaalsContact OE2-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.27Å; E2-S103 PolarHBondContact N-O 2.62Å; E2-T105 PolarHBondContact O-N 3.4Å
3	L	87.4	Confident	90.2	Very high	131 Å²	131	72.6 Å²	72.6	69%	0.686	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	118.5	174.4	-177.2	66.2	0	0	0	109	T105	L3-T105 CarbonylContact C-O 3.54Å; L3-T105 WeakPolarHBondContact CA-O 3.39Å; L3-T105 HydrophobicContact CD1-CG2 4.06Å
4	M	91.1	Very high	90.5	Very high	24 Å²	24	68.4 Å²	68.4	12%	0.118	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	149	-174.9	-67.6	-63.9	142.3	0	0	111.1	E2 L78 V104 T105 V106 S107	E2-M4 HydrophobicContact CB-CE 3.56Å; E2-M4 HydrophobicContact CG-CE 3.22Å; E2-M4 WeakPolarHBondContact OE1-CE 3.28Å; M4-L78 HydrophobicContact CB-CD1 3.81Å; M4-L78 HydrophobicContact CG-CD1 3.79Å; M4-V104 HydrophobicContact CG-CG1 4.31Å; M4-T105 PolarHBondContact N-O 2.62Å; M4-V106 HydrophobicContact CB-CG2 4.24Å; M4-V106 CarbonylContact O-C 3.49Å; M4-V106 WeakPolarHBondContact O-CA 3.47Å; M4-S107 PolarHBondContact O-N 2.94Å; M4-S107 PolarHBondContact O-OG 3.22Å
5	K	92.3	Very high	90.8	Very high	162 Å²	162	73.7 Å²	73.7	70%	0.704	43%	0.427	S	S	*	.			trans	-84.7	150.3	168.9	-64.6	-178.7	-179.1	-179.7	0	110	A8	K5-A8 WeakPolarHBondContact O-CB 3.37Å; K5-A8 PolarHBondContact O-N 2.99Å; K5-A8 VanDerWaalsContact O-N 3.13Å
6	P	94.1	Very high	90.8	Very high	67 Å²	67	69.6 Å²	69.6	44%	0.435	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	140.9	168.5	-27.7	36.1	0	0	0	111.8	A8 L78 V106 S107	P6-A8 PolarHBondContact O-N 3.4Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.16Å; P6-V106 HydrophobicContact CG-CG1 4.28Å; P6-S107 WeakPolarHBondContact CD-O 3.39Å; P6-S107 WeakPolarHBondContact CG-O 3.5Å
7	G	93.5	Very high	90.5	Very high	54 Å²	54	71.1 Å²	71.1	56%	0.557	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-9.9	-177.6	0	0	0	0	0	114.9	L78	G7-L78 PolarHBondContact N-O 2.02Å
8	A	94.9	Very high	90.3	Very high	32 Å²	32	72.1 Å²	72.1	26%	0.264	44%	0.443	S	S	.	.			trans	-67.3	169.5	174	0	0	0	0	0	111.6	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.37Å; K5-A8 PolarHBondContact O-N 2.99Å; K5-A8 VanDerWaalsContact O-N 3.13Å; P6-A8 PolarHBondContact O-N 3.4Å; A8-S77 PolarHBondContact O-N 3.42Å; A8-L78 WeakPolarHBondContact O-CB 3.5Å; A8-L78 VanDerWaalsContact O-CG 3.32Å; A8-L78 WeakPolarHBondContact O-CG 3.49Å; A8-L78 PolarHBondContact O-N 3.15Å
9	S	95.6	Very high	90	Very high	63 Å²	63	70.4 Å²	70.4	44%	0.441	43%	0.428	S	S	.	.			trans	-119.9	146.7	171	-58.7	0	0	0	0	110	L75	S9-L75 CarbonylContact C-O 3.48Å; S9-L75 WeakPolarHBondContact CA-O 2.97Å; S9-L75 WeakPolarHBondContact CB-O 3.42Å
10	V	95.5	Very high	90	Very high	4 Å²	4	71.7 Å²	71.7	2%	0.024	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.8	175.2	65.2	0	0	0	0	109.7	E2 L12 Q74 L75 L78 V104	E2-V10 VanDerWaalsContact OE2-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.27Å; V10-L12 HydrophobicContact CG2-CD2 4.06Å; V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 2.98Å; V10-L75 HydrophobicContact CG1-CB 4Å; V10-L75 HydrophobicContact CG1-CD1 4.32Å; V10-L75 PolarHBondContact N-O 2.88Å; V10-L75 PolarHBondContact O-N 3.34Å; V10-L78 HydrophobicContact CB-CD1 4.1Å; V10-L78 HydrophobicContact CG1-CD1 3.88Å; V10-L78 HydrophobicContact CG1-CD2 4.24Å; V10-V104 HydrophobicContact CG1-CG1 4.42Å; V10-V104 HydrophobicContact CG1-CG2 4.48Å
11	K	96.7	Very high	90.1	Very high	122 Å²	122	68.3 Å²	68.3	53%	0.53	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	111.4	174.6	-174.1	177.4	-180	179.4	0	109.4	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.35Å; K11-M73 WeakPolarHBondContact CA-O 3.32Å
12	L	96.6	Very high	91.6	Very high	6 Å²	6	65.6 Å²	65.6	3%	0.031	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	144.9	176.3	-59	179.6	0	0	0	109.8	V10 W28 Y72 M73 Y86 T102 V104	V10-L12 HydrophobicContact CG2-CD2 4.06Å; L12-W28 HydrophobicContact CB-CH2 4.1Å; L12-W28 HydrophobicContact CB-CZ3 3.91Å; L12-Y72 CarbonylContact O-C 3.57Å; L12-Y72 WeakPolarHBondContact O-CA 3.45Å; L12-Y72 WeakPolarHBondContact O-CB 2.91Å; L12-M73 HydrophobicContact CD1-CE 3.63Å; L12-M73 PolarHBondContact N-O 2.76Å; L12-M73 PolarHBondContact O-N 2.95Å; L12-Y86 VanDerWaalsContact CD1-CB 3.44Å; L12-Y86 HydrophobicContact CD1-CD1 4.22Å; L12-Y86 HydrophobicContact CD1-CD2 4.1Å; L12-Y86 HydrophobicContact CD1-CG 3.65Å; L12-T102 HydrophobicContact CD2-CG2 3.69Å; L12-V104 HydrophobicContact CD1-CG2 4.39Å; L12-V104 HydrophobicContact CD2-CG2 4.03Å
13	S	96.3	Very high	92.3	Very high	74 Å²	74	63.6 Å²	63.6	52%	0.517	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.8	178.7	63.2	0	0	0	0	111.4	A71	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.45Å
14	C	95	Very high	92.5	Very high	13 Å²	13	60.3 Å²	60.3	9%	0.088	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	104.6	176.9	-178.6	0	0	0	0	108.7	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.13Å; C14-A71 HydrophobicContact CB-CB 4.39Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 3.32Å; C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.19Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.03Å
15	K	94.6	Very high	92.6	Very high	149 Å²	149	62.3 Å²	62.3	65%	0.648	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	121.6	-179.9	-173.1	173.3	-176.8	176.8	0	110.5
16	A	90.5	Very high	92.7	Very high	8 Å²	8	54.7 Å²	54.7	7%	0.066	34%	0.343	C	S	.	.			trans	-80.9	140.6	175.4	0	0	0	0	0	111.4	Y19 F21 N69	A16-Y19 HydrophobicContact CB-CE1 3.69Å; A16-Y19 HydrophobicContact CB-CE2 3.94Å; A16-Y19 WeakPolarHBondContact CB-OH 3.42Å; A16-F21 HydrophobicContact CB-CB 4.01Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 3.97Å; A16-N69 HydrophobicContact CB-CB 4.29Å; A16-N69 WeakPolarHBondContact CB-O 3.35Å; A16-N69 PolarHBondContact N-O 3.03Å
17	T	86.8	Confident	92.7	Very high	94 Å²	94	52.2 Å²	52.2	58%	0.577	33%	0.326	S	S	*	.			trans	-140.1	141	175	56.6	0	0	0	0	109.6	Y19	T17-Y19 VanDerWaalsContact O-CD1 3.23Å; T17-Y19 WeakPolarHBondContact O-CD1 3.34Å
18	G	86	Confident	92.9	Very high	89 Å²	89	49.9 Å²	49.9	92%	0.918	30%	0.3	S	S	*	.	S	Bend	trans	78	15.6	174.6	0	0	0	0	0	116.5
19	Y	85.3	Confident	92.9	Very high	41 Å²	41	48.6 Å²	48.6	16%	0.161	29%	0.289	C	S	.	.	S	Bend	trans	-156.3	166.1	174.4	64.6	-88	0	0	0	113.1	A16 T17 F21 Y24 I26 R90	A16-Y19 HydrophobicContact CB-CE1 3.69Å; A16-Y19 HydrophobicContact CB-CE2 3.94Å; A16-Y19 WeakPolarHBondContact CB-OH 3.42Å; T17-Y19 VanDerWaalsContact O-CD1 3.23Å; T17-Y19 WeakPolarHBondContact O-CD1 3.34Å; Y19-F21 HydrophobicContact CE2-CD2 4.43Å; Y19-F21 PolarHBondContact O-N 2.98Å; Y19-Y24 AromaticContact CD2-CD2 3.44Å; Y19-Y24 HydrophobicContact CD2-CD2 3.44Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.44Å; Y19-Y24 AromaticContact CD2-CE2 3.88Å; Y19-Y24 HydrophobicContact CD2-CE2 3.88Å; Y19-Y24 HydrophobicContact CD2-CG 4.25Å; Y19-Y24 AromaticContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CE2-CG 4.42Å; Y19-Y24 HydrophobicContact CG-CD2 4.44Å; Y19-I26 HydrophobicContact CE2-CD1 4.41Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.2Å; Y19-R90 VanDerWaalsContact CE2-CD 3.49Å; Y19-R90 HydrophobicContact CE2-CG 4Å
20	T	90.1	Very high	92.9	Very high	96 Å²	96	46 Å²	46	59%	0.589	27%	0.27	S	S	*	.			trans	-72.9	83.5	177	-50.6	0	0	0	0	111.2	T22 G23 Y24	T20-T22 PolarHBondContact O-N 2.94Å; T20-G23 PolarHBondContact O-N 3.5Å; T20-Y24 WeakPolarHBondContact O-CD2 3.02Å
21	F	91.8	Very high	92.9	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-46.2	-39.1	-174.6	175.8	-115.4	0	0	0	115.1	A16 Y19 G23 I26 P45 A64 N69 T70 A71	A16-F21 HydrophobicContact CB-CB 4.01Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 3.97Å; Y19-F21 HydrophobicContact CE2-CD2 4.43Å; Y19-F21 PolarHBondContact O-N 2.98Å; F21-G23 PolarHBondContact O-N 3.12Å; F21-I26 HydrophobicContact CD2-CD1 4.04Å; F21-I26 HydrophobicContact CD2-CG1 4.27Å; F21-I26 HydrophobicContact CE2-CD1 3.89Å; F21-I26 HydrophobicContact CE2-CG1 3.69Å; F21-I26 HydrophobicContact CZ-CG1 4.48Å; F21-P45 HydrophobicContact CD1-CB 3.77Å; F21-P45 HydrophobicContact CD1-CG 4.05Å; F21-P45 HydrophobicContact CD2-CG 4.1Å; F21-P45 HydrophobicContact CE1-CB 3.37Å; F21-P45 HydrophobicContact CE1-CG 3.61Å; F21-P45 HydrophobicContact CE2-CB 4.39Å; F21-P45 HydrophobicContact CE2-CG 3.69Å; F21-P45 HydrophobicContact CG-CB 4.43Å; F21-P45 HydrophobicContact CG-CG 4.29Å; F21-P45 HydrophobicContact CZ-CB 3.71Å; F21-P45 HydrophobicContact CZ-CG 3.4Å; F21-A64 HydrophobicContact CE1-CB 4.15Å; F21-A64 HydrophobicContact CZ-CB 4.14Å; F21-N69 HydrophobicContact CB-CB 3.93Å; F21-N69 WeakPolarHBondContact CB-OD1 3.35Å; F21-N69 HydrophobicContact CD1-CB 4.12Å; F21-N69 HydrophobicContact CG-CB 4.01Å; F21-T70 VanDerWaalsContact CZ-C 3.46Å; F21-A71 HydrophobicContact CE2-CB 4.06Å; F21-A71 HydrophobicContact CZ-CB 3.85Å
22	T	93.5	Very high	92.8	Very high	54 Å²	54	47 Å²	47	33%	0.331	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-67.3	-21	-178.9	51.5	0	0	0	0	114.6	T20 G46 T66	T20-T22 PolarHBondContact O-N 2.94Å; T22-G46 VanDerWaalsContact O-CA 3.24Å; T22-G46 WeakPolarHBondContact O-CA 3.35Å; T22-G46 PolarHBondContact O-N 3.25Å; T22-T66 HydrophobicContact CG2-CG2 3.68Å
23	G	90.9	Very high	92.5	Very high	51 Å²	51	52.2 Å²	52.2	53%	0.526	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-94.6	1.8	-176.1	0	0	0	0	0	115.2	T20 F21	T20-G23 PolarHBondContact O-N 3.5Å; F21-G23 PolarHBondContact O-N 3.12Å
24	Y	90.9	Very high	92.2	Very high	63 Å²	63	53 Å²	53	25%	0.247	33%	0.327	C	S	.	.	S	Bend	trans	-127.8	142.5	-175.1	-63	-79.6	0	0	0	112.4	Y19 T20 P45 R90 L92	Y19-Y24 AromaticContact CD2-CD2 3.44Å; Y19-Y24 HydrophobicContact CD2-CD2 3.44Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.44Å; Y19-Y24 AromaticContact CD2-CE2 3.88Å; Y19-Y24 HydrophobicContact CD2-CE2 3.88Å; Y19-Y24 HydrophobicContact CD2-CG 4.25Å; Y19-Y24 AromaticContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CE2-CG 4.42Å; Y19-Y24 HydrophobicContact CG-CD2 4.44Å; T20-Y24 WeakPolarHBondContact O-CD2 3.02Å; Y24-P45 WeakPolarHBondContact O-CD 3.41Å; Y24-R90 HydrophobicContact CD1-CG 4.34Å; Y24-R90 HydrophobicContact CG-CG 4.07Å; Y24-L92 HydrophobicContact CD1-CD1 4.42Å; Y24-L92 HydrophobicContact CD1-CD2 4.2Å; Y24-L92 HydrophobicContact CD1-CG 3.88Å; Y24-L92 HydrophobicContact CE1-CD1 3.74Å; Y24-L92 HydrophobicContact CE1-CD2 3.58Å; Y24-L92 HydrophobicContact CE1-CG 3.51Å
25	W	93.5	Very high	92.1	Very high	66 Å²	66	57.3 Å²	57.3	25%	0.25	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	134	168	-68.9	98.2	0	0	0	110.1	E42 L44 S49 L91	W25-E42 HydrophobicContact CD2-CG 4.33Å; W25-E42 HydrophobicContact CE3-CB 3.98Å; W25-E42 HydrophobicContact CE3-CG 3.51Å; W25-E42 HydrophobicContact CZ3-CG 3.85Å; W25-L44 HydrophobicContact CD2-CB 3.77Å; W25-L44 HydrophobicContact CD2-CD1 4.38Å; W25-L44 HydrophobicContact CE3-CB 3.68Å; W25-L44 HydrophobicContact CG-CD1 4.37Å; W25-L44 HydrophobicContact CH2-CB 3.71Å; W25-L44 HydrophobicContact CZ2-CB 3.79Å; W25-L44 HydrophobicContact CZ2-CD2 4.02Å; W25-L44 HydrophobicContact CZ2-CG 4.46Å; W25-L44 HydrophobicContact CZ3-CB 3.66Å; W25-L44 VanDerWaalsContact CZ3-N 3.28Å; W25-S49 VanDerWaalsContact CZ3-O 3.28Å; W25-S49 WeakPolarHBondContact CZ3-O 3.34Å; W25-L91 HydrophobicContact CB-CB 4.09Å; W25-L91 HydrophobicContact CB-CD2 4.49Å; W25-L91 PolarHBondContact O-N 2.81Å
26	I	94.8	Very high	92	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	110.9	173.1	-50.2	-61.1	0	0	0	107.2	Y19 F21 E42 I43 P45 A71 C88 A89	Y19-I26 HydrophobicContact CE2-CD1 4.41Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.2Å; F21-I26 HydrophobicContact CD2-CD1 4.04Å; F21-I26 HydrophobicContact CD2-CG1 4.27Å; F21-I26 HydrophobicContact CE2-CD1 3.89Å; F21-I26 HydrophobicContact CE2-CG1 3.69Å; F21-I26 HydrophobicContact CZ-CG1 4.48Å; I26-E42 CarbonylContact O-C 3.49Å; I26-E42 WeakPolarHBondContact O-CA 3.31Å; I26-I43 HydrophobicContact CB-CG2 4.17Å; I26-I43 PolarHBondContact N-O 2.87Å; I26-I43 PolarHBondContact O-N 3.5Å; I26-P45 HydrophobicContact CG1-CG 3.86Å; I26-A71 HydrophobicContact CB-CB 4.17Å; I26-A71 HydrophobicContact CG1-CB 4.26Å; I26-A71 HydrophobicContact CG2-CB 3.82Å; I26-C88 HydrophobicContact CG2-CB 4.32Å; I26-A89 CarbonylContact C-O 3.57Å; I26-A89 WeakPolarHBondContact CA-O 3.15Å
27	E	94.9	Very high	92.1	Very high	16 Å²	16	57 Å²	57	8%	0.075	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	148.6	179.6	-59.1	-165.1	-166.1	0	0	111.2	W39 E42 C88 A89 L91 M95	E27-W39 VanDerWaalsContact OE2-CD1 3.26Å; E27-W39 PolarHBondContact OE2-NE1 2.82Å; E27-E42 HydrophobicContact CG-CB 4.05Å; E27-C88 CarbonylContact O-C 3.57Å; E27-C88 WeakPolarHBondContact O-CA 3.23Å; E27-A89 PolarHBondContact N-O 3.39Å; E27-A89 PolarHBondContact O-N 3.16Å; E27-L91 HydrophobicContact CG-CB 4.31Å; E27-L91 WeakPolarHBondContact OE1-CD1 3.48Å; E27-L91 WeakPolarHBondContact OE1-CD2 3.44Å; E27-M95 HydrophobicContact CB-CE 4.17Å; E27-M95 HydrophobicContact CG-CE 4.35Å; E27-M95 WeakPolarHBondContact OE2-CE 3.46Å
28	W	96.5	Very high	92.5	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.015	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.8	172.7	-68.3	95.1	0	0	0	110	L12 C14 I40 G41 F62 A71 M73 F87 C88	L12-W28 HydrophobicContact CB-CH2 4.1Å; L12-W28 HydrophobicContact CB-CZ3 3.91Å; C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 2.78Å; W28-G41 PolarHBondContact N-O 3.09Å; W28-F62 HydrophobicContact CB-CE1 4.21Å; W28-F62 AromaticContact CD1-CD1 3.64Å; W28-F62 AromaticContact CD1-CE1 3.65Å; W28-F62 HydrophobicContact CG-CD1 4.38Å; W28-F62 HydrophobicContact CG-CE1 4.05Å; W28-F62 AromaticContact NE1-CD1 3.98Å; W28-A71 HydrophobicContact CZ2-CB 4.35Å; W28-M73 HydrophobicContact CB-SD 3.87Å; W28-M73 HydrophobicContact CD2-CB 3.59Å; W28-M73 HydrophobicContact CD2-CE 4.34Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.17Å; W28-M73 HydrophobicContact CE3-CB 3.95Å; W28-M73 HydrophobicContact CE3-CE 3.91Å; W28-M73 HydrophobicContact CE3-SD 4.34Å; W28-M73 HydrophobicContact CG-CB 4.03Å; W28-M73 HydrophobicContact CG-SD 3.97Å; W28-M73 HydrophobicContact CH2-CB 4.16Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4.21Å; W28-M73 HydrophobicContact CZ3-CE 4.5Å; W28-F87 WeakPolarHBondContact CA-O 3.36Å; W28-C88 HydrophobicContact CD2-CB 4.37Å; W28-C88 HydrophobicContact CE3-CB 4.09Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.5Å; W28-C88 HydrophobicContact CZ3-CB 4.04Å
29	V	95.9	Very high	93	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.03	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139	-174.3	-175.9	0	0	0	0	109.4	L37 E38 Y86 F87 M95 W98	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.86Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; V29-Y86 CarbonylContact O-C 3.53Å; V29-Y86 WeakPolarHBondContact O-CA 3.28Å; V29-F87 PolarHBondContact N-O 2.76Å; V29-F87 PolarHBondContact O-N 2.74Å; V29-M95 HydrophobicContact CG2-CE 4.3Å; V29-W98 HydrophobicContact CB-CH2 4.15Å; V29-W98 HydrophobicContact CB-CZ3 3.88Å; V29-W98 HydrophobicContact CG1-CH2 4.13Å; V29-W98 HydrophobicContact CG1-CZ3 4.1Å; V29-W98 HydrophobicContact CG2-CH2 3.84Å; V29-W98 HydrophobicContact CG2-CZ3 3.96Å
30	K	95.4	Very high	93.5	Very high	9 Å²	9	52.2 Å²	52.2	4%	0.039	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.4	176.7	-176.8	-179	175.9	-175.1	0	110.2	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 2.89Å; K30-E38 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; K30-F56 HydrophobicContact CD-CE1 4.28Å; K30-F56 HydrophobicContact CD-CZ 4.27Å; K30-E81 PolarHBondContact NZ-O 3Å; K30-D82 IonicContact NZ-OD1 3.59Å; K30-A84 HydrophobicContact CD-CB 3.99Å; K30-A84 VanDerWaalsContact CE-CB 3.43Å; K30-A84 HydrophobicContact CG-CB 3.38Å; K30-Y86 HydrophobicContact CB-CD1 4.09Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.78Å; K30-Y86 WeakPolarHBondContact CE-OH 3.27Å; K30-Y86 HydrophobicContact CG-CD1 4.19Å; K30-Y86 HydrophobicContact CG-CE1 3.68Å
31	Q	95.9	Very high	93.8	Very high	77 Å²	77	47.6 Å²	47.6	36%	0.36	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116.9	170.6	-165.3	-179.4	30.8	0	0	110.4	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.07Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.31Å; Q31-V85 PolarHBondContact N-O 3.29Å; Q31-V85 PolarHBondContact O-N 3.12Å; Q31-F87 HydrophobicContact CB-CD2 4.45Å; Q31-F87 HydrophobicContact CB-CE2 3.8Å
32	R	94	Very high	94	Very high	71 Å²	71	48.6 Å²	48.6	27%	0.268	28%	0.284	S	S	.	.			trans	-88.3	147.2	171.4	-71.5	-176	-76.2	168.4	-5.1	110.5	G34 H35 E38 A84	R32-G34 PolarHBondContact O-N 2.78Å; R32-H35 HydrophobicContact CB-CB 3.96Å; R32-H35 PolarHBondContact O-N 3.44Å; R32-E38 IonicContact CZ-OE1 3.33Å; R32-E38 IonicContact NE-OE1 3.03Å; R32-E38 PolarHBondContact NE-OE1 3.43Å; R32-E38 IonicContact NH2-OE1 2.76Å; R32-E38 PolarHBondContact NH2-OE1 2.87Å; R32-E38 IonicContact NH2-OE2 3.84Å; R32-A84 HydrophobicContact CG-CB 4.03Å
33	P	88.9	Confident	94.2	Very high	115 Å²	115	46.2 Å²	46.2	75%	0.747	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	124.9	173.6	-24.1	33.9	0	0	0	111.1	H35	P33-H35 VanDerWaalsContact C-N 3.29Å; P33-H35 PolarHBondContact O-CD2 2.93Å; P33-H35 PolarHBondContact O-N 2.81Å
34	G	90.9	Very high	94.4	Very high	90 Å²	90	45.6 Å²	45.6	93%	0.928	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	3.7	-178.5	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.78Å
35	H	92.1	Very high	94.7	Very high	104 Å²	104	43 Å²	43	48%	0.481	25%	0.245	S	C	.	.	S	Bend	trans	-117.2	160.9	175.9	-66	-95.7	0	0	0	111.8	R32 P33	R32-H35 HydrophobicContact CB-CB 3.96Å; R32-H35 PolarHBondContact O-N 3.44Å; P33-H35 VanDerWaalsContact C-N 3.29Å; P33-H35 PolarHBondContact O-CD2 2.93Å; P33-H35 PolarHBondContact O-N 2.81Å
36	G	92.3	Very high	94.8	Very high	54 Å²	54	42.4 Å²	42.4	56%	0.557	26%	0.259	S	S	*	.			trans	-68.9	177.2	172.1	0	0	0	0	0	113.3
37	L	93.7	Very high	94.8	Very high	96 Å²	96	45.7 Å²	45.7	50%	0.503	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.1	172.6	-66.5	172.1	0	0	0	110.2	V29 Q31 W98	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.86Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.07Å; L37-W98 HydrophobicContact CD1-CH2 3.91Å; L37-W98 HydrophobicContact CD1-CZ2 4.49Å; L37-W98 HydrophobicContact CD1-CZ3 4.46Å
38	E	95.3	Very high	94.8	Very high	36 Å²	36	47 Å²	47	17%	0.168	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.8	176.2	-63.7	-171.6	-117	0	0	109.3	V29 K30 R32 I40	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 2.89Å; K30-E38 PolarHBondContact O-N 2.9Å; R32-E38 IonicContact CZ-OE1 3.33Å; R32-E38 IonicContact NE-OE1 3.03Å; R32-E38 PolarHBondContact NE-OE1 3.43Å; R32-E38 IonicContact NH2-OE1 2.76Å; R32-E38 PolarHBondContact NH2-OE1 2.87Å; R32-E38 IonicContact NH2-OE2 3.84Å; E38-I40 PolarHBondContact O-N 2.66Å
39	W	95.4	Very high	94.9	Very high	87 Å²	87	49.6 Å²	49.6	33%	0.33	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	128.3	175.7	-177.1	84.2	0	0	0	110.7	E27 G41 E42 N51 N53	E27-W39 VanDerWaalsContact OE2-CD1 3.26Å; E27-W39 PolarHBondContact OE2-NE1 2.82Å; W39-G41 VanDerWaalsContact CZ2-CA 3.45Å; W39-E42 HydrophobicContact CZ2-CB 4.27Å; W39-E42 HydrophobicContact CZ2-CG 3.9Å; W39-N51 HydrophobicContact CH2-CB 4.2Å; W39-N53 HydrophobicContact CE3-CB 3.71Å; W39-N53 HydrophobicContact CZ3-CB 3.88Å; W39-N53 VanDerWaalsContact CZ3-N 3.32Å; W39-N53 VanDerWaalsContact O-CB 3.31Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 3.02Å
40	I	97	Very high	94.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-44.3	-178.7	-57.3	173.3	0	0	0	110.1	W28 K30 E38 N53 F56 A60 F62 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 2.78Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; E38-I40 PolarHBondContact O-N 2.66Å; I40-N53 WeakPolarHBondContact O-CB 3.04Å; I40-N53 PolarHBondContact O-N 2.87Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.28Å; I40-F56 HydrophobicContact CG1-CD2 4.33Å; I40-F56 HydrophobicContact CG1-CE1 4.14Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.36Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.65Å; I40-F56 HydrophobicContact CG2-CD1 3.9Å; I40-F56 HydrophobicContact CG2-CD2 4.13Å; I40-F56 HydrophobicContact CG2-CG 3.63Å; I40-A60 HydrophobicContact CG2-CB 3.82Å; I40-F62 HydrophobicContact CG2-CE1 4.18Å; I40-F62 HydrophobicContact CG2-CZ 3.88Å; I40-M73 HydrophobicContact CD1-CE 3.83Å; I40-M73 HydrophobicContact CD1-SD 3.64Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å
41	G	96.7	Very high	95	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.4	-174.8	-173.3	0	0	0	0	0	111.9	W28 W39 N51	W28-G41 PolarHBondContact N-O 3.09Å; W39-G41 VanDerWaalsContact CZ2-CA 3.45Å; G41-N51 CarbonylContact C-O 3.59Å; G41-N51 WeakPolarHBondContact CA-O 3.22Å
42	E	96.1	Very high	95	Very high	22 Å²	22	54.3 Å²	54.3	10%	0.103	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	160	-175.3	62.4	-178.3	-177	0	0	112.4	W25 I26 E27 W39 T50 N51	W25-E42 HydrophobicContact CD2-CG 4.33Å; W25-E42 HydrophobicContact CE3-CB 3.98Å; W25-E42 HydrophobicContact CE3-CG 3.51Å; W25-E42 HydrophobicContact CZ3-CG 3.85Å; I26-E42 CarbonylContact O-C 3.49Å; I26-E42 WeakPolarHBondContact O-CA 3.31Å; E27-E42 HydrophobicContact CG-CB 4.05Å; W39-E42 HydrophobicContact CZ2-CB 4.27Å; W39-E42 HydrophobicContact CZ2-CG 3.9Å; E42-T50 VanDerWaalsContact O-CA 3.27Å; E42-T50 WeakPolarHBondContact O-CA 3.25Å; E42-N51 HydrophobicContact CG-CB 3.83Å; E42-N51 PolarHBondContact N-O 2.8Å; E42-N51 PolarHBondContact O-N 2.58Å; E42-N51 PolarHBondContact OE1-ND2 3.07Å
43	I	96.9	Very high	95.1	Very high	4 Å²	4	53 Å²	53	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.1	173.9	-175.5	166.1	0	0	0	110.5	I26 P45 S49 T50 F62 A64 A71	I26-I43 HydrophobicContact CB-CG2 4.17Å; I26-I43 PolarHBondContact N-O 2.87Å; I26-I43 PolarHBondContact O-N 3.5Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å; I43-S49 CarbonylContact C-O 3.54Å; I43-S49 WeakPolarHBondContact CA-O 3.16Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.8Å; I43-F62 HydrophobicContact CB-CB 3.93Å; I43-F62 HydrophobicContact CD1-CB 4.07Å; I43-F62 HydrophobicContact CG2-CB 4.26Å; I43-A64 HydrophobicContact CD1-CB 4.09Å; I43-A71 HydrophobicContact CG2-CB 4.37Å
44	L	96	Very high	95.4	Very high	37 Å²	37	53.8 Å²	53.8	19%	0.194	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.4	167.6	-175.5	58.3	0	0	0	108.4	W25 G46 S47 G48 S49	W25-L44 HydrophobicContact CD2-CB 3.77Å; W25-L44 HydrophobicContact CD2-CD1 4.38Å; W25-L44 HydrophobicContact CE3-CB 3.68Å; W25-L44 HydrophobicContact CG-CD1 4.37Å; W25-L44 HydrophobicContact CH2-CB 3.71Å; W25-L44 HydrophobicContact CZ2-CB 3.79Å; W25-L44 HydrophobicContact CZ2-CD2 4.02Å; W25-L44 HydrophobicContact CZ2-CG 4.46Å; W25-L44 HydrophobicContact CZ3-CB 3.66Å; W25-L44 VanDerWaalsContact CZ3-N 3.28Å; L44-G46 PolarHBondContact O-N 3.2Å; L44-G46 VanDerWaalsContact O-N 3.17Å; L44-S47 PolarHBondContact O-N 3.34Å; L44-G48 WeakPolarHBondContact O-CA 3.35Å; L44-G48 PolarHBondContact O-N 2.86Å; L44-S49 PolarHBondContact N-O 2.78Å
45	P	95.9	Very high	95.5	Very high	10 Å²	10	56.9 Å²	56.9	7%	0.065	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.9	-170.6	-24.6	35.8	0	0	0	114.1	F21 Y24 I26 I43 A64 T66	F21-P45 HydrophobicContact CD1-CB 3.77Å; F21-P45 HydrophobicContact CD1-CG 4.05Å; F21-P45 HydrophobicContact CD2-CG 4.1Å; F21-P45 HydrophobicContact CE1-CB 3.37Å; F21-P45 HydrophobicContact CE1-CG 3.61Å; F21-P45 HydrophobicContact CE2-CB 4.39Å; F21-P45 HydrophobicContact CE2-CG 3.69Å; F21-P45 HydrophobicContact CG-CB 4.43Å; F21-P45 HydrophobicContact CG-CG 4.29Å; F21-P45 HydrophobicContact CZ-CB 3.71Å; F21-P45 HydrophobicContact CZ-CG 3.4Å; Y24-P45 WeakPolarHBondContact O-CD 3.41Å; I26-P45 HydrophobicContact CG1-CG 3.86Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å; P45-A64 HydrophobicContact CB-CB 3.72Å; P45-A64 HydrophobicContact CG-CB 4.2Å; P45-T66 HydrophobicContact CB-CG2 4.39Å; P45-T66 WeakPolarHBondContact O-CG2 3.33Å
46	G	95.1	Very high	95.7	Very high	53 Å²	53	52.5 Å²	52.5	55%	0.546	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-31.1	-179.9	0	0	0	0	0	114.4	T22 L44	T22-G46 VanDerWaalsContact O-CA 3.24Å; T22-G46 WeakPolarHBondContact O-CA 3.35Å; T22-G46 PolarHBondContact O-N 3.25Å; L44-G46 PolarHBondContact O-N 3.2Å; L44-G46 VanDerWaalsContact O-N 3.17Å
47	S	95.9	Very high	95.7	Very high	69 Å²	69	55.7 Å²	55.7	48%	0.483	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-17	179.4	64	0	0	0	0	113.7	L44 S49	L44-S47 PolarHBondContact O-N 3.34Å; S47-S49 PolarHBondContact O-N 2.83Å; S47-S49 VanDerWaalsContact OG-CB 3.29Å; S47-S49 WeakPolarHBondContact OG-CB 3.36Å; S47-S49 PolarHBondContact OG-N 2.82Å; S47-S49 VanDerWaalsContact OG-N 3.16Å; S47-S49 PolarHBondContact OG-OG 3.49Å
48	G	95.6	Very high	95.7	Very high	45 Å²	45	54.7 Å²	54.7	46%	0.464	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	8.3	-168.9	0	0	0	0	0	113.8	L44	L44-G48 WeakPolarHBondContact O-CA 3.35Å; L44-G48 PolarHBondContact O-N 2.86Å
49	S	96.6	Very high	95.7	Very high	57 Å²	57	55.1 Å²	55.1	40%	0.399	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	138.9	176.1	-58.7	0	0	0	0	110	W25 I43 L44 S47	W25-S49 VanDerWaalsContact CZ3-O 3.28Å; W25-S49 WeakPolarHBondContact CZ3-O 3.34Å; I43-S49 CarbonylContact C-O 3.54Å; I43-S49 WeakPolarHBondContact CA-O 3.16Å; L44-S49 PolarHBondContact N-O 2.78Å; S47-S49 PolarHBondContact O-N 2.83Å; S47-S49 VanDerWaalsContact OG-CB 3.29Å; S47-S49 WeakPolarHBondContact OG-CB 3.36Å; S47-S49 PolarHBondContact OG-N 2.82Å; S47-S49 VanDerWaalsContact OG-N 3.16Å; S47-S49 PolarHBondContact OG-OG 3.49Å
50	T	97.4	Very high	95.8	Very high	49 Å²	49	51.1 Å²	51.1	30%	0.301	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.3	-177.9	50.2	0	0	0	0	110.8	E42 I43 Y52 F62	E42-T50 VanDerWaalsContact O-CA 3.27Å; E42-T50 WeakPolarHBondContact O-CA 3.25Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.8Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.24Å; T50-F62 HydrophobicContact CG2-CB 3.97Å; T50-F62 HydrophobicContact CG2-CD2 4.12Å
51	N	96.6	Very high	95.8	Very high	77 Å²	77	54.3 Å²	54.3	41%	0.412	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.7	168.8	-64.2	-42.5	0	0	0	108.8	W39 G41 E42 F62	W39-N51 HydrophobicContact CH2-CB 4.2Å; G41-N51 CarbonylContact C-O 3.59Å; G41-N51 WeakPolarHBondContact CA-O 3.22Å; E42-N51 HydrophobicContact CG-CB 3.83Å; E42-N51 PolarHBondContact N-O 2.8Å; E42-N51 PolarHBondContact O-N 2.58Å; E42-N51 PolarHBondContact OE1-ND2 3.07Å; N51-F62 WeakPolarHBondContact O-CE2 3.4Å
52	Y	97.3	Very high	95.9	Very high	64 Å²	64	54.9 Å²	54.9	25%	0.251	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.4	-177	-64.3	-92.3	0	0	0	110	T50 A60 F62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.24Å; Y52-A60 VanDerWaalsContact CE1-O 3.28Å; Y52-A60 WeakPolarHBondContact CE1-O 3.14Å; Y52-F62 HydrophobicContact CD1-CD2 4.11Å; Y52-F62 AromaticContact CD1-CE2 3.42Å; Y52-F62 HydrophobicContact CD1-CE2 3.42Å; Y52-F62 VanDerWaalsContact CD1-CE2 3.42Å; Y52-F62 AromaticContact CD1-CZ 3.93Å; Y52-F62 HydrophobicContact CD1-CZ 3.93Å; Y52-F62 AromaticContact CE1-CD2 3.46Å; Y52-F62 HydrophobicContact CE1-CD2 3.46Å; Y52-F62 VanDerWaalsContact CE1-CD2 3.46Å; Y52-F62 AromaticContact CE1-CE2 3.22Å; Y52-F62 HydrophobicContact CE1-CE2 3.22Å; Y52-F62 HydrophobicContact CE1-CG 4.23Å; Y52-F62 AromaticContact CE1-CZ 3.85Å; Y52-F62 HydrophobicContact CE1-CZ 3.85Å; Y52-F62 HydrophobicContact CE2-CD2 4.48Å; Y52-F62 HydrophobicContact CG-CE2 4.18Å; Y52-F62 AromaticContact CZ-CD2 3.67Å; Y52-F62 AromaticContact CZ-CE2 3.86Å
53	N	96.3	Very high	96	Very high	44 Å²	44	56.8 Å²	56.8	24%	0.235	34%	0.337	C	S	.	.			trans	-70.9	132.5	155.2	-175.5	-31.5	0	0	0	108.3	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.71Å; W39-N53 HydrophobicContact CZ3-CB 3.88Å; W39-N53 VanDerWaalsContact CZ3-N 3.32Å; W39-N53 VanDerWaalsContact O-CB 3.31Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 3.02Å; I40-N53 WeakPolarHBondContact O-CB 3.04Å; I40-N53 PolarHBondContact O-N 2.87Å; N53-K55 PolarHBondContact O-N 2.9Å; N53-K55 PolarHBondContact OD1-N 3.2Å; N53-K55 VanDerWaalsContact OD1-N 3.07Å; N53-F56 HydrophobicContact CB-CD2 3.99Å; N53-F56 PolarHBondContact O-N 3.49Å; N53-K57 PolarHBondContact O-N 3.31Å
54	E	95.1	Very high	96	Very high	131 Å²	131	58.4 Å²	58.4	61%	0.612	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29	-178.5	-68.9	-62	140.8	0	0	112.9	F56 K57	E54-F56 VanDerWaalsContact C-N 3.26Å; E54-F56 PolarHBondContact O-N 3.13Å; E54-K57 PolarHBondContact O-N 3.09Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 3.04Å; E54-K57 WeakPolarHBondContact OE2-CD 3.44Å; E54-K57 IonicContact OE2-NZ 3.13Å; E54-K57 PolarHBondContact OE2-NZ 2.82Å; E54-K57 VanDerWaalsContact OE2-NZ 3.13Å
55	K	92.8	Very high	96.1	Very high	155 Å²	155	59.2 Å²	59.2	67%	0.674	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.1	175.1	-67.8	-175.6	-178.8	179.8	0	114.4	N53	N53-K55 PolarHBondContact O-N 2.9Å; N53-K55 PolarHBondContact OD1-N 3.2Å; N53-K55 VanDerWaalsContact OD1-N 3.07Å
56	F	94.8	Very high	96	Very high	12 Å²	12	62.1 Å²	62.1	5%	0.053	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-4	-174.3	-64.3	-86.3	0	0	0	112.6	K30 I40 N53 E54 G58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.28Å; K30-F56 HydrophobicContact CD-CZ 4.27Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.28Å; I40-F56 HydrophobicContact CG1-CD2 4.33Å; I40-F56 HydrophobicContact CG1-CE1 4.14Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.36Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.65Å; I40-F56 HydrophobicContact CG2-CD1 3.9Å; I40-F56 HydrophobicContact CG2-CD2 4.13Å; I40-F56 HydrophobicContact CG2-CG 3.63Å; N53-F56 HydrophobicContact CB-CD2 3.99Å; N53-F56 PolarHBondContact O-N 3.49Å; E54-F56 VanDerWaalsContact C-N 3.26Å; E54-F56 PolarHBondContact O-N 3.13Å; F56-G58 PolarHBondContact O-N 2.6Å; F56-K59 PolarHBondContact O-N 2.84Å; F56-A60 HydrophobicContact CB-CB 4.28Å; F56-A60 PolarHBondContact O-N 2.99Å
57	K	93.6	Very high	96	Very high	122 Å²	122	64.6 Å²	64.6	53%	0.53	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-61.4	126.5	176.1	-163.7	174.6	-171.5	172.9	0	110	N53 E54 K59	N53-K57 PolarHBondContact O-N 3.31Å; E54-K57 PolarHBondContact O-N 3.09Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 3.04Å; E54-K57 WeakPolarHBondContact OE2-CD 3.44Å; E54-K57 IonicContact OE2-NZ 3.13Å; E54-K57 PolarHBondContact OE2-NZ 2.82Å; E54-K57 VanDerWaalsContact OE2-NZ 3.13Å; K57-K59 PolarHBondContact O-N 2.81Å
58	G	93.3	Very high	96	Very high	74 Å²	74	63.2 Å²	63.2	76%	0.763	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-12.8	-174.3	0	0	0	0	0	115	F56	F56-G58 PolarHBondContact O-N 2.6Å
59	K	95.4	Very high	96	Very high	45 Å²	45	64 Å²	64	20%	0.196	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-41.3	173.9	-169.9	170.6	-167.8	171.2	0	112.7	F56 K57 L75 S76 D82	F56-K59 PolarHBondContact O-N 2.84Å; K57-K59 PolarHBondContact O-N 2.81Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; K59-S76 WeakPolarHBondContact CE-O 3.44Å; K59-S76 WeakPolarHBondContact CG-O 3.14Å; K59-S76 PolarHBondContact O-N 2.97Å; K59-S76 PolarHBondContact O-OG 2.8Å; K59-D82 WeakPolarHBondContact CE-OD1 3.45Å; K59-D82 WeakPolarHBondContact CE-OD2 3.38Å; K59-D82 IonicContact NZ-OD1 2.82Å; K59-D82 PolarHBondContact NZ-OD1 2.86Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å
60	A	97.3	Very high	96	Very high	3 Å²	3	61.9 Å²	61.9	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	139.2	176.1	0	0	0	0	0	110.6	I40 Y52 F56 F62 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.82Å; Y52-A60 VanDerWaalsContact CE1-O 3.28Å; Y52-A60 WeakPolarHBondContact CE1-O 3.14Å; F56-A60 HydrophobicContact CB-CB 4.28Å; F56-A60 PolarHBondContact O-N 2.99Å; A60-F62 HydrophobicContact CB-CE1 3.97Å; A60-F62 HydrophobicContact CB-CZ 4.12Å; A60-M73 HydrophobicContact CB-CG 4.39Å; A60-M73 HydrophobicContact CB-SD 4.36Å; A60-Q74 CarbonylContact C-O 3.31Å; A60-Q74 WeakPolarHBondContact CA-O 3.31Å; A60-L75 HydrophobicContact CB-CD2 3.93Å
61	T	98.1	Very high	96	Very high	68 Å²	68	59.5 Å²	59.5	42%	0.417	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125	169.9	-58.5	0	0	0	0	108.8	M73 Q74	T61-M73 WeakPolarHBondContact O-CA 3.2Å; T61-Q74 PolarHBondContact N-O 2.88Å; T61-Q74 PolarHBondContact O-N 3.03Å
62	F	98.1	Very high	96.1	Very high	11 Å²	11	58.3 Å²	58.3	5%	0.048	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.9	177.6	-48.7	-47.2	0	0	0	111.5	W28 I40 I43 T50 N51 Y52 A60 Y72 M73	W28-F62 HydrophobicContact CB-CE1 4.21Å; W28-F62 AromaticContact CD1-CD1 3.64Å; W28-F62 AromaticContact CD1-CE1 3.65Å; W28-F62 HydrophobicContact CG-CD1 4.38Å; W28-F62 HydrophobicContact CG-CE1 4.05Å; W28-F62 AromaticContact NE1-CD1 3.98Å; I40-F62 HydrophobicContact CG2-CE1 4.18Å; I40-F62 HydrophobicContact CG2-CZ 3.88Å; I43-F62 HydrophobicContact CB-CB 3.93Å; I43-F62 HydrophobicContact CD1-CB 4.07Å; I43-F62 HydrophobicContact CG2-CB 4.26Å; T50-F62 HydrophobicContact CG2-CB 3.97Å; T50-F62 HydrophobicContact CG2-CD2 4.12Å; N51-F62 WeakPolarHBondContact O-CE2 3.4Å; Y52-F62 HydrophobicContact CD1-CD2 4.11Å; Y52-F62 AromaticContact CD1-CE2 3.42Å; Y52-F62 HydrophobicContact CD1-CE2 3.42Å; Y52-F62 VanDerWaalsContact CD1-CE2 3.42Å; Y52-F62 AromaticContact CD1-CZ 3.93Å; Y52-F62 HydrophobicContact CD1-CZ 3.93Å; Y52-F62 AromaticContact CE1-CD2 3.46Å; Y52-F62 HydrophobicContact CE1-CD2 3.46Å; Y52-F62 VanDerWaalsContact CE1-CD2 3.46Å; Y52-F62 AromaticContact CE1-CE2 3.22Å; Y52-F62 HydrophobicContact CE1-CE2 3.22Å; Y52-F62 HydrophobicContact CE1-CG 4.23Å; Y52-F62 AromaticContact CE1-CZ 3.85Å; Y52-F62 HydrophobicContact CE1-CZ 3.85Å; Y52-F62 HydrophobicContact CE2-CD2 4.48Å; Y52-F62 HydrophobicContact CG-CE2 4.18Å; Y52-F62 AromaticContact CZ-CD2 3.67Å; Y52-F62 AromaticContact CZ-CE2 3.86Å; A60-F62 HydrophobicContact CB-CE1 3.97Å; A60-F62 HydrophobicContact CB-CZ 4.12Å; F62-Y72 WeakPolarHBondContact CA-O 3.44Å; F62-M73 HydrophobicContact CD1-CB 3.93Å; F62-M73 HydrophobicContact CD1-CG 3.83Å; F62-M73 HydrophobicContact CD1-SD 4.47Å; F62-M73 HydrophobicContact CE1-CB 4.14Å; F62-M73 HydrophobicContact CE1-CG 3.64Å; F62-M73 HydrophobicContact CE1-SD 3.72Å
63	T	97.9	Very high	96.1	Very high	62 Å²	62	55.3 Å²	55.3	38%	0.38	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	161	173.4	54.7	0	0	0	0	109.7	A71 Y72	T63-A71 CarbonylContact O-C 3.6Å; T63-Y72 PolarHBondContact N-O 2.79Å; T63-Y72 PolarHBondContact O-N 3.29Å
64	A	97.5	Very high	96.2	Very high	38 Å²	38	57.4 Å²	57.4	31%	0.314	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	142.9	175.8	0	0	0	0	0	111	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.15Å; F21-A64 HydrophobicContact CZ-CB 4.14Å; I43-A64 HydrophobicContact CD1-CB 4.09Å; P45-A64 HydrophobicContact CB-CB 3.72Å; P45-A64 HydrophobicContact CG-CB 4.2Å; A64-T70 WeakPolarHBondContact CA-O 3.5Å
65	D	97	Very high	96.3	Very high	55 Å²	55	51.1 Å²	51.1	29%	0.294	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	106.9	169	174.7	6.7	0	0	0	108.3	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.2Å; D65-S67 PolarHBondContact OD1-N 2.71Å; D65-S67 PolarHBondContact OD1-OG 3Å; D65-S67 PolarHBondContact OD2-OG 3.46Å; D65-S68 WeakPolarHBondContact CB-OG 3.32Å; D65-S68 PolarHBondContact OD1-N 2.82Å; D65-S68 WeakPolarHBondContact OD2-CB 3.46Å; D65-S68 PolarHBondContact OD2-OG 2.91Å; D65-N69 WeakPolarHBondContact O-CA 3.45Å; D65-N69 PolarHBondContact O-N 3.13Å; D65-T70 PolarHBondContact N-O 2.97Å; D65-T70 PolarHBondContact O-N 3.27Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å
66	T	95.4	Very high	96.4	Very high	71 Å²	71	45.3 Å²	45.3	44%	0.436	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.7	-177.8	57.5	0	0	0	0	112.6	T22 P45 N69	T22-T66 HydrophobicContact CG2-CG2 3.68Å; P45-T66 HydrophobicContact CB-CG2 4.39Å; P45-T66 WeakPolarHBondContact O-CG2 3.33Å; T66-N69 PolarHBondContact O-OD1 2.81Å
67	S	94.8	Very high	96.4	Very high	104 Å²	104	48.5 Å²	48.5	73%	0.727	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-36	176.8	74.7	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.2Å; D65-S67 PolarHBondContact OD1-N 2.71Å; D65-S67 PolarHBondContact OD1-OG 3Å; D65-S67 PolarHBondContact OD2-OG 3.46Å
68	S	95.9	Very high	96.5	Very high	40 Å²	40	42.7 Å²	42.7	28%	0.28	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	1.7	178.4	68.2	0	0	0	0	113.9	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.32Å; D65-S68 PolarHBondContact OD1-N 2.82Å; D65-S68 WeakPolarHBondContact OD2-CB 3.46Å; D65-S68 PolarHBondContact OD2-OG 2.91Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 2.91Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 VanDerWaalsContact O-OG1 3.09Å; S68-T70 PolarHBondContact OG-OG1 2.96Å
69	N	95.4	Very high	96.6	Very high	63 Å²	63	41.8 Å²	41.8	34%	0.337	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	43.6	-174.1	-65.6	-41.1	0	0	0	112.9	A16 F21 D65 T66	A16-N69 HydrophobicContact CB-CB 4.29Å; A16-N69 WeakPolarHBondContact CB-O 3.35Å; A16-N69 PolarHBondContact N-O 3.03Å; F21-N69 HydrophobicContact CB-CB 3.93Å; F21-N69 WeakPolarHBondContact CB-OD1 3.35Å; F21-N69 HydrophobicContact CD1-CB 4.12Å; F21-N69 HydrophobicContact CG-CB 4.01Å; D65-N69 WeakPolarHBondContact O-CA 3.45Å; D65-N69 PolarHBondContact O-N 3.13Å; T66-N69 PolarHBondContact O-OD1 2.81Å
70	T	97	Very high	96.4	Very high	11 Å²	11	43 Å²	43	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123	-174.7	-53.9	0	0	0	0	111.1	C14 F21 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.13Å; F21-T70 VanDerWaalsContact CZ-C 3.46Å; A64-T70 WeakPolarHBondContact CA-O 3.5Å; D65-T70 PolarHBondContact N-O 2.97Å; D65-T70 PolarHBondContact O-N 3.27Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 2.91Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 VanDerWaalsContact O-OG1 3.09Å; S68-T70 PolarHBondContact OG-OG1 2.96Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.45Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.28Å; T70-Y72 WeakPolarHBondContact O-CE2 3.12Å
71	A	97.1	Very high	96.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	150.9	168.5	0	0	0	0	0	109.7	S13 C14 F21 I26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.59Å; S13-A71 WeakPolarHBondContact CA-O 3.45Å; C14-A71 HydrophobicContact CB-CB 4.39Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 3.32Å; F21-A71 HydrophobicContact CE2-CB 4.06Å; F21-A71 HydrophobicContact CZ-CB 3.85Å; I26-A71 HydrophobicContact CB-CB 4.17Å; I26-A71 HydrophobicContact CG1-CB 4.26Å; I26-A71 HydrophobicContact CG2-CB 3.82Å; W28-A71 HydrophobicContact CZ2-CB 4.35Å; I43-A71 HydrophobicContact CG2-CB 4.37Å; T63-A71 CarbonylContact O-C 3.6Å
72	Y	97.9	Very high	95.9	Very high	51 Å²	51	46.2 Å²	46.2	20%	0.2	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.5	177.7	-53.9	-89.3	0	0	0	111.1	K11 L12 F62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.35Å; L12-Y72 CarbonylContact O-C 3.57Å; L12-Y72 WeakPolarHBondContact O-CA 3.45Å; L12-Y72 WeakPolarHBondContact O-CB 2.91Å; F62-Y72 WeakPolarHBondContact CA-O 3.44Å; T63-Y72 PolarHBondContact N-O 2.79Å; T63-Y72 PolarHBondContact O-N 3.29Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.45Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.28Å; T70-Y72 WeakPolarHBondContact O-CE2 3.12Å
73	M	97.9	Very high	95.8	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.5	166	176.2	-179.8	68	0	0	108.6	K11 L12 W28 I40 A60 T61 F62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.32Å; L12-M73 HydrophobicContact CD1-CE 3.63Å; L12-M73 PolarHBondContact N-O 2.76Å; L12-M73 PolarHBondContact O-N 2.95Å; W28-M73 HydrophobicContact CB-SD 3.87Å; W28-M73 HydrophobicContact CD2-CB 3.59Å; W28-M73 HydrophobicContact CD2-CE 4.34Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.17Å; W28-M73 HydrophobicContact CE3-CB 3.95Å; W28-M73 HydrophobicContact CE3-CE 3.91Å; W28-M73 HydrophobicContact CE3-SD 4.34Å; W28-M73 HydrophobicContact CG-CB 4.03Å; W28-M73 HydrophobicContact CG-SD 3.97Å; W28-M73 HydrophobicContact CH2-CB 4.16Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4.21Å; W28-M73 HydrophobicContact CZ3-CE 4.5Å; I40-M73 HydrophobicContact CD1-CE 3.83Å; I40-M73 HydrophobicContact CD1-SD 3.64Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; A60-M73 HydrophobicContact CB-CG 4.39Å; A60-M73 HydrophobicContact CB-SD 4.36Å; T61-M73 WeakPolarHBondContact O-CA 3.2Å; F62-M73 HydrophobicContact CD1-CB 3.93Å; F62-M73 HydrophobicContact CD1-CG 3.83Å; F62-M73 HydrophobicContact CD1-SD 4.47Å; F62-M73 HydrophobicContact CE1-CB 4.14Å; F62-M73 HydrophobicContact CE1-CG 3.64Å; F62-M73 HydrophobicContact CE1-SD 3.72Å; M73-L75 HydrophobicContact CE-CD1 3.78Å; M73-L75 HydrophobicContact CE-CD2 4.31Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.09Å; M73-L75 HydrophobicContact SD-CG 4.23Å; M73-Y86 HydrophobicContact CE-CD1 3.67Å; M73-Y86 HydrophobicContact CE-CE1 4.2Å; M73-Y86 HydrophobicContact CE-CG 4.35Å
74	Q	97.8	Very high	95.7	Very high	88 Å²	88	44.6 Å²	44.6	41%	0.411	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.9	167.9	-175.9	173.9	-1.9	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 2.98Å; A60-Q74 CarbonylContact C-O 3.31Å; A60-Q74 WeakPolarHBondContact CA-O 3.31Å; T61-Q74 PolarHBondContact N-O 2.88Å; T61-Q74 PolarHBondContact O-N 3.03Å
75	L	96.6	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.4	169.7	-68.4	168.2	0	0	0	108.5	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.48Å; S9-L75 WeakPolarHBondContact CA-O 2.97Å; S9-L75 WeakPolarHBondContact CB-O 3.42Å; V10-L75 HydrophobicContact CG1-CB 4Å; V10-L75 HydrophobicContact CG1-CD1 4.32Å; V10-L75 PolarHBondContact N-O 2.88Å; V10-L75 PolarHBondContact O-N 3.34Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; A60-L75 HydrophobicContact CB-CD2 3.93Å; M73-L75 HydrophobicContact CE-CD1 3.78Å; M73-L75 HydrophobicContact CE-CD2 4.31Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.09Å; M73-L75 HydrophobicContact SD-CG 4.23Å; L75-L78 HydrophobicContact CB-CD2 3.89Å; L75-L78 HydrophobicContact CD1-CD2 4.48Å; L75-Y86 HydrophobicContact CD1-CD1 4.12Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.35Å
76	S	96	Very high	95.7	Very high	33 Å²	33	42.6 Å²	42.6	23%	0.231	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-101.9	161.3	177.4	62.5	0	0	0	0	111.8	K59 L78	K59-S76 WeakPolarHBondContact CE-O 3.44Å; K59-S76 WeakPolarHBondContact CG-O 3.14Å; K59-S76 PolarHBondContact O-N 2.97Å; K59-S76 PolarHBondContact O-OG 2.8Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.39Å
77	S	95	Very high	95.7	Very high	78 Å²	78	40.7 Å²	40.7	55%	0.545	24%	0.238	S	C	.	.	S	Bend	trans	49.9	52.7	171.8	-57.9	0	0	0	0	112.9	A8	A8-S77 PolarHBondContact O-N 3.42Å
78	L	95.2	Very high	95.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.208	C	C	.	.			trans	-59.3	139.1	-175.1	-71.6	175.8	0	0	0	112.1	M4 P6 G7 A8 V10 L75 S76 D82 V106	M4-L78 HydrophobicContact CB-CD1 3.81Å; M4-L78 HydrophobicContact CG-CD1 3.79Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.16Å; G7-L78 PolarHBondContact N-O 2.02Å; A8-L78 WeakPolarHBondContact O-CB 3.5Å; A8-L78 VanDerWaalsContact O-CG 3.32Å; A8-L78 WeakPolarHBondContact O-CG 3.49Å; A8-L78 PolarHBondContact O-N 3.15Å; V10-L78 HydrophobicContact CB-CD1 4.1Å; V10-L78 HydrophobicContact CG1-CD1 3.88Å; V10-L78 HydrophobicContact CG1-CD2 4.24Å; L75-L78 HydrophobicContact CB-CD2 3.89Å; L75-L78 HydrophobicContact CD1-CD2 4.48Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.39Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.34Å; L78-D82 HydrophobicContact CD2-CB 3.75Å; L78-V106 HydrophobicContact CB-CG1 4.28Å; L78-V106 HydrophobicContact CB-CG2 3.94Å; L78-V106 HydrophobicContact CD1-CG2 4.23Å; L78-V106 HydrophobicContact CG-CG2 4.48Å
79	T	94.4	Very high	95.5	Very high	55 Å²	55	34.6 Å²	34.6	34%	0.337	20%	0.196	S	C	.	.			trans	-121.7	167.3	173.6	66.5	0	0	0	0	110	E81 D82 V106	T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 2.93Å; T79-D82 PolarHBondContact OG1-OD2 2.78Å; T79-V106 WeakPolarHBondContact O-CB 3.5Å; T79-V106 WeakPolarHBondContact O-CG2 3.34Å
80	S	92.4	Very high	95.2	Very high	70 Å²	70	33.7 Å²	33.7	49%	0.49	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-54.2	-31.9	176	53.9	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 2.98Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.31Å; S80-S83 PolarHBondContact O-N 2.8Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 3.05Å
81	E	91.3	Very high	94.3	Very high	134 Å²	134	35.8 Å²	35.8	63%	0.626	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-65.6	-18	176	-59.3	-174.3	163.7	0	0	113.8	K30 T79 S83	K30-E81 PolarHBondContact NZ-O 3Å; T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.12Å; E81-S83 VanDerWaalsContact C-N 3.25Å; E81-S83 PolarHBondContact O-N 2.89Å
82	D	94.1	Very high	92.8	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-80.3	-4.9	174.6	-59.7	-46.1	0	0	0	113.8	K30 K59 L78 T79 S80 A84 Y86 V106	K30-D82 IonicContact NZ-OD1 3.59Å; K59-D82 WeakPolarHBondContact CE-OD1 3.45Å; K59-D82 WeakPolarHBondContact CE-OD2 3.38Å; K59-D82 IonicContact NZ-OD1 2.82Å; K59-D82 PolarHBondContact NZ-OD1 2.86Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.34Å; L78-D82 HydrophobicContact CD2-CB 3.75Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 2.93Å; T79-D82 PolarHBondContact OG1-OD2 2.78Å; S80-D82 PolarHBondContact O-N 2.98Å; D82-A84 PolarHBondContact O-N 3.04Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 2.81Å; D82-V106 HydrophobicContact CB-CG2 4.24Å
83	S	95.5	Very high	90.9	Very high	34 Å²	34	43 Å²	43	24%	0.238	25%	0.247	C	C	.	.			trans	-65.3	110.1	173.9	-58.8	0	0	0	0	110.4	S80 E81 V104 V106	S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.31Å; S80-S83 PolarHBondContact O-N 2.8Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 3.05Å; E81-S83 VanDerWaalsContact C-N 3.25Å; E81-S83 PolarHBondContact O-N 2.89Å; S83-V104 CarbonylContact C-O 3.6Å; S83-V104 VanDerWaalsContact CA-O 3.32Å; S83-V104 WeakPolarHBondContact CA-O 3.42Å; S83-V106 PolarHBondContact OG-N 2.84Å; S83-V106 PolarHBondContact OG-O 2.95Å
84	A	96.2	Very high	88.9	Confident	6 Å²	6	46 Å²	46	5%	0.05	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	170.5	-172.1	0	0	0	0	0	111.4	K30 Q31 R32 D82 Y86 V104	K30-A84 HydrophobicContact CD-CB 3.99Å; K30-A84 VanDerWaalsContact CE-CB 3.43Å; K30-A84 HydrophobicContact CG-CB 3.38Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.31Å; R32-A84 HydrophobicContact CG-CB 4.03Å; D82-A84 PolarHBondContact O-N 3.04Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; A84-V104 PolarHBondContact N-O 3.17Å; A84-V104 PolarHBondContact O-N 3.47Å
85	V	96.8	Very high	87.2	Confident	46 Å²	46	44.8 Å²	44.8	28%	0.279	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.3	162.1	-171	0	0	0	0	108.5	Q31 F87	Q31-V85 PolarHBondContact N-O 3.29Å; Q31-V85 PolarHBondContact O-N 3.12Å; V85-F87 HydrophobicContact CB-CE2 3.81Å; V85-F87 HydrophobicContact CB-CZ 3.92Å; V85-F87 HydrophobicContact CG1-CD2 4.31Å; V85-F87 HydrophobicContact CG1-CE1 3.85Å; V85-F87 HydrophobicContact CG1-CE2 3.59Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å
86	Y	97.1	Very high	85.8	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.1	179.8	-69.1	-91.2	0	0	0	109.7	L12 V29 K30 I40 M73 L75 D82 A84 G101 T102 V104	L12-Y86 VanDerWaalsContact CD1-CB 3.44Å; L12-Y86 HydrophobicContact CD1-CD1 4.22Å; L12-Y86 HydrophobicContact CD1-CD2 4.1Å; L12-Y86 HydrophobicContact CD1-CG 3.65Å; V29-Y86 CarbonylContact O-C 3.53Å; V29-Y86 WeakPolarHBondContact O-CA 3.28Å; K30-Y86 HydrophobicContact CB-CD1 4.09Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.78Å; K30-Y86 WeakPolarHBondContact CE-OH 3.27Å; K30-Y86 HydrophobicContact CG-CD1 4.19Å; K30-Y86 HydrophobicContact CG-CE1 3.68Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CD1 3.67Å; M73-Y86 HydrophobicContact CE-CE1 4.2Å; M73-Y86 HydrophobicContact CE-CG 4.35Å; L75-Y86 HydrophobicContact CD1-CD1 4.12Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.35Å; D82-Y86 WeakPolarHBondContact O-CE2 3.36Å; D82-Y86 PolarHBondContact O-OH 2.81Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; Y86-G101 CarbonylContact O-C 3.52Å; Y86-G101 WeakPolarHBondContact O-CA 3.29Å; Y86-T102 PolarHBondContact N-O 2.87Å; Y86-T102 PolarHBondContact O-N 3.06Å; Y86-V104 HydrophobicContact CD2-CB 4Å; Y86-V104 HydrophobicContact CD2-CG2 3.75Å; Y86-V104 HydrophobicContact CE2-CB 3.79Å; Y86-V104 HydrophobicContact CE2-CG2 3.97Å
87	F	95.8	Very high	85	Confident	31 Å²	31	54 Å²	54	14%	0.136	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.5	-179.9	-57.6	-87.4	0	0	0	110	W28 V29 Q31 V85 W98 G101	W28-F87 WeakPolarHBondContact CA-O 3.36Å; V29-F87 PolarHBondContact N-O 2.76Å; V29-F87 PolarHBondContact O-N 2.74Å; Q31-F87 HydrophobicContact CB-CD2 4.45Å; Q31-F87 HydrophobicContact CB-CE2 3.8Å; V85-F87 HydrophobicContact CB-CE2 3.81Å; V85-F87 HydrophobicContact CB-CZ 3.92Å; V85-F87 HydrophobicContact CG1-CD2 4.31Å; V85-F87 HydrophobicContact CG1-CE1 3.85Å; V85-F87 HydrophobicContact CG1-CE2 3.59Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å; F87-W98 HydrophobicContact CB-CE3 3.69Å; F87-W98 HydrophobicContact CB-CZ3 3.83Å; F87-W98 HydrophobicContact CG-CE3 4.13Å; F87-W98 HydrophobicContact CG-CZ3 4.31Å; F87-G101 VanDerWaalsContact CD1-CA 3.41Å
88	C	94.6	Very high	84.7	Confident	15 Å²	15	54.4 Å²	54.4	10%	0.101	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.2	159.1	64.4	0	0	0	0	109.6	C14 I26 E27 W28 G99	C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.19Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.03Å; I26-C88 HydrophobicContact CG2-CB 4.32Å; E27-C88 CarbonylContact O-C 3.57Å; E27-C88 WeakPolarHBondContact O-CA 3.23Å; W28-C88 HydrophobicContact CD2-CB 4.37Å; W28-C88 HydrophobicContact CE3-CB 4.09Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.5Å; W28-C88 HydrophobicContact CZ3-CB 4.04Å; C88-G99 PolarHBondContact O-N 3.31Å
89	A	92	Very high	84.4	Confident	2 Å²	2	55.4 Å²	55.4	2%	0.017	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.2	174.9	0	0	0	0	0	110.6	I26 E27 M95 Y97 W98	I26-A89 CarbonylContact C-O 3.57Å; I26-A89 WeakPolarHBondContact CA-O 3.15Å; E27-A89 PolarHBondContact N-O 3.39Å; E27-A89 PolarHBondContact O-N 3.16Å; A89-M95 HydrophobicContact CB-CE 3.56Å; A89-Y97 VanDerWaalsContact CA-O 3.24Å; A89-Y97 WeakPolarHBondContact CA-O 3.02Å; A89-W98 HydrophobicContact CB-CD2 3.9Å; A89-W98 HydrophobicContact CB-CE3 4.18Å; A89-W98 HydrophobicContact CB-CG 4.24Å; A89-W98 HydrophobicContact CB-CZ2 4.36Å
90	R	89.1	Confident	84.3	Confident	43 Å²	43	61.8 Å²	61.8	16%	0.162	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.5	171.2	-177.1	-169.8	70.5	-174.5	1.6	109	Y19 Y24 Y97	Y19-R90 VanDerWaalsContact CE2-CD 3.49Å; Y19-R90 HydrophobicContact CE2-CG 4Å; Y24-R90 HydrophobicContact CD1-CG 4.34Å; Y24-R90 HydrophobicContact CG-CG 4.07Å; R90-Y97 PolarHBondContact N-O 3.37Å
91	L	78.6	Confident	84.3	Confident	55 Å²	55	59.7 Å²	59.7	29%	0.288	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.9	173.5	-172	67.4	0	0	0	111.7	W25 E27 M95	W25-L91 HydrophobicContact CB-CB 4.09Å; W25-L91 HydrophobicContact CB-CD2 4.49Å; W25-L91 PolarHBondContact O-N 2.81Å; E27-L91 HydrophobicContact CG-CB 4.31Å; E27-L91 WeakPolarHBondContact OE1-CD1 3.48Å; E27-L91 WeakPolarHBondContact OE1-CD2 3.44Å; L91-M95 HydrophobicContact CD1-CG 3.77Å
92	L	65.3	Low	84.5	Confident	62 Å²	62	56.2 Å²	56.2	33%	0.325	31%	0.306	S	S	.	.	S	Bend	trans	-118.5	-176.9	153.9	-98.8	170.3	0	0	0	106	Y24 S94	Y24-L92 HydrophobicContact CD1-CD1 4.42Å; Y24-L92 HydrophobicContact CD1-CD2 4.2Å; Y24-L92 HydrophobicContact CD1-CG 3.88Å; Y24-L92 HydrophobicContact CE1-CD1 3.74Å; Y24-L92 HydrophobicContact CE1-CD2 3.58Å; Y24-L92 HydrophobicContact CE1-CG 3.51Å; L92-S94 CarbonylContact C-O 3.57Å; L92-S94 PolarHBondContact N-O 3.23Å; L92-S94 CarbonylContact O-C 3.55Å; L92-S94 VanDerWaalsContact O-C 3.31Å; L92-S94 WeakPolarHBondContact O-CA 3.36Å; L92-S94 PolarHBondContact O-N 2.79Å
93	P	57.8	Low	84.5	Confident	140 Å²	140	58.2 Å²	58.2	91%	0.909	32%	0.32	S	S	*	.	S	Bend	trans	-54.5	-5.9	-179.8	8.5	-15.9	0	0	0	115.5
94	S	55.9	Low	84.5	Confident	65 Å²	65	56.7 Å²	56.7	46%	0.455	31%	0.309	S	S	.	.	S	Bend	trans	-134.3	144.1	156.2	43.7	0	0	0	0	110.5	L92 D96	L92-S94 CarbonylContact C-O 3.57Å; L92-S94 PolarHBondContact N-O 3.23Å; L92-S94 CarbonylContact O-C 3.55Å; L92-S94 VanDerWaalsContact O-C 3.31Å; L92-S94 WeakPolarHBondContact O-CA 3.36Å; L92-S94 PolarHBondContact O-N 2.79Å; S94-D96 VanDerWaalsContact C-N 3.26Å; S94-D96 VanDerWaalsContact CB-OD1 3.25Å; S94-D96 WeakPolarHBondContact CB-OD1 3.24Å; S94-D96 VanDerWaalsContact O-CG 3.25Å; S94-D96 PolarHBondContact O-N 3.09Å; S94-D96 PolarHBondContact OG-OD1 3.3Å
95	M	61.9	Low	84.4	Confident	62 Å²	62	59.1 Å²	59.1	31%	0.305	32%	0.323	S	S	.	.			trans	-68.8	79.6	175.4	-67.2	173.9	90.3	0	0	110.6	E27 V29 A89 L91 W98	E27-M95 HydrophobicContact CB-CE 4.17Å; E27-M95 HydrophobicContact CG-CE 4.35Å; E27-M95 WeakPolarHBondContact OE2-CE 3.46Å; V29-M95 HydrophobicContact CG2-CE 4.3Å; A89-M95 HydrophobicContact CB-CE 3.56Å; L91-M95 HydrophobicContact CD1-CG 3.77Å; M95-W98 HydrophobicContact CE-CH2 3.81Å; M95-W98 HydrophobicContact CE-CZ2 3.5Å; M95-W98 PolarHBondContact O-NE1 2.95Å; M95-W98 HydrophobicContact SD-CZ2 3.89Å
96	D	67.5	Low	84.2	Confident	96 Å²	96	57.2 Å²	57.2	51%	0.513	31%	0.312	S	S	.	.			trans	-81.6	-17	-167	-62.6	-29.2	0	0	0	114.3	S94	S94-D96 VanDerWaalsContact C-N 3.26Å; S94-D96 VanDerWaalsContact CB-OD1 3.25Å; S94-D96 WeakPolarHBondContact CB-OD1 3.24Å; S94-D96 VanDerWaalsContact O-CG 3.25Å; S94-D96 PolarHBondContact O-N 3.09Å; S94-D96 PolarHBondContact OG-OD1 3.3Å
97	Y	79.4	Confident	83.8	Confident	130 Å²	130	59.3 Å²	59.3	51%	0.51	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	122.6	-174.6	-164.7	-93.6	0	0	0	112.6	A89 R90	A89-Y97 VanDerWaalsContact CA-O 3.24Å; A89-Y97 WeakPolarHBondContact CA-O 3.02Å; R90-Y97 PolarHBondContact N-O 3.37Å
98	W	88.8	Confident	82.9	Confident	87 Å²	87	65.5 Å²	65.5	33%	0.33	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140	178.7	-69.7	71.9	0	0	0	110.5	V29 L37 F87 A89 M95	V29-W98 HydrophobicContact CB-CH2 4.15Å; V29-W98 HydrophobicContact CB-CZ3 3.88Å; V29-W98 HydrophobicContact CG1-CH2 4.13Å; V29-W98 HydrophobicContact CG1-CZ3 4.1Å; V29-W98 HydrophobicContact CG2-CH2 3.84Å; V29-W98 HydrophobicContact CG2-CZ3 3.96Å; L37-W98 HydrophobicContact CD1-CH2 3.91Å; L37-W98 HydrophobicContact CD1-CZ2 4.49Å; L37-W98 HydrophobicContact CD1-CZ3 4.46Å; F87-W98 HydrophobicContact CB-CE3 3.69Å; F87-W98 HydrophobicContact CB-CZ3 3.83Å; F87-W98 HydrophobicContact CG-CE3 4.13Å; F87-W98 HydrophobicContact CG-CZ3 4.31Å; A89-W98 HydrophobicContact CB-CD2 3.9Å; A89-W98 HydrophobicContact CB-CE3 4.18Å; A89-W98 HydrophobicContact CB-CG 4.24Å; A89-W98 HydrophobicContact CB-CZ2 4.36Å; M95-W98 HydrophobicContact CE-CH2 3.81Å; M95-W98 HydrophobicContact CE-CZ2 3.5Å; M95-W98 PolarHBondContact O-NE1 2.95Å; M95-W98 HydrophobicContact SD-CZ2 3.89Å
99	G	88.8	Confident	82.3	Confident	23 Å²	23	68.1 Å²	68.1	24%	0.237	39%	0.388	C	S	.	.			trans	-67	162	166.2	0	0	0	0	0	111.5	C88 G101	C88-G99 PolarHBondContact O-N 3.31Å; G99-G101 PolarHBondContact O-N 2.96Å; G99-G101 VanDerWaalsContact O-N 3.09Å
100	Q	90.6	Very high	81.8	Confident	188 Å²	188	71.5 Å²	71.5	88%	0.879	41%	0.408	S	S	*	.			trans	-62.6	-17	179.9	-67.3	-66.4	-41.7	0	0	113.9
101	G	92.8	Very high	81.4	Confident	27 Å²	27	73.1 Å²	73.1	28%	0.278	42%	0.421	S	S	.	.			trans	85.2	148.6	-177.5	0	0	0	0	0	113	Y86 F87 G99	Y86-G101 CarbonylContact O-C 3.52Å; Y86-G101 WeakPolarHBondContact O-CA 3.29Å; F87-G101 VanDerWaalsContact CD1-CA 3.41Å; G99-G101 PolarHBondContact O-N 2.96Å; G99-G101 VanDerWaalsContact O-N 3.09Å
102	T	95.3	Very high	81.6	Confident	60 Å²	60	74.2 Å²	74.2	37%	0.368	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.1	177.5	-58.6	0	0	0	0	109.5	L12 Y86	L12-T102 HydrophobicContact CD2-CG2 3.69Å; Y86-T102 PolarHBondContact N-O 2.87Å; Y86-T102 PolarHBondContact O-N 3.06Å
103	S	95.7	Very high	82.6	Confident	47 Å²	47	74.9 Å²	74.9	33%	0.329	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.5	174.8	-175.9	0	0	0	0	110.6	A1 E2	A1-S103 CarbonylContact C-O 3.48Å; A1-S103 WeakPolarHBondContact CA-O 3.45Å; E2-S103 PolarHBondContact N-O 2.62Å
104	V	94.8	Very high	84.2	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.006	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.6	170.3	178.1	0	0	0	0	108	M4 V10 L12 S83 A84 Y86 V106	M4-V104 HydrophobicContact CG-CG1 4.31Å; V10-V104 HydrophobicContact CG1-CG1 4.42Å; V10-V104 HydrophobicContact CG1-CG2 4.48Å; L12-V104 HydrophobicContact CD1-CG2 4.39Å; L12-V104 HydrophobicContact CD2-CG2 4.03Å; S83-V104 CarbonylContact C-O 3.6Å; S83-V104 VanDerWaalsContact CA-O 3.32Å; S83-V104 WeakPolarHBondContact CA-O 3.42Å; A84-V104 PolarHBondContact N-O 3.17Å; A84-V104 PolarHBondContact O-N 3.47Å; Y86-V104 HydrophobicContact CD2-CB 4Å; Y86-V104 HydrophobicContact CD2-CG2 3.75Å; Y86-V104 HydrophobicContact CE2-CB 3.79Å; Y86-V104 HydrophobicContact CE2-CG2 3.97Å; V104-V106 HydrophobicContact CG1-CG2 4.44Å
105	T	94.9	Very high	86.3	Confident	57 Å²	57	71 Å²	71	35%	0.35	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.7	178.6	-56.4	0	0	0	0	108.5	E2 L3 M4	E2-T105 PolarHBondContact O-N 3.4Å; L3-T105 CarbonylContact C-O 3.54Å; L3-T105 WeakPolarHBondContact CA-O 3.39Å; L3-T105 HydrophobicContact CD1-CG2 4.06Å; M4-T105 PolarHBondContact N-O 2.62Å
106	V	92.5	Very high	88.1	Confident	7 Å²	7	71.7 Å²	71.7	4%	0.042	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.1	178.7	-171.5	0	0	0	0	107.9	M4 P6 L78 T79 D82 S83 V104	M4-V106 HydrophobicContact CB-CG2 4.24Å; M4-V106 CarbonylContact O-C 3.49Å; M4-V106 WeakPolarHBondContact O-CA 3.47Å; P6-V106 HydrophobicContact CG-CG1 4.28Å; L78-V106 HydrophobicContact CB-CG1 4.28Å; L78-V106 HydrophobicContact CB-CG2 3.94Å; L78-V106 HydrophobicContact CD1-CG2 4.23Å; L78-V106 HydrophobicContact CG-CG2 4.48Å; T79-V106 WeakPolarHBondContact O-CB 3.5Å; T79-V106 WeakPolarHBondContact O-CG2 3.34Å; D82-V106 HydrophobicContact CB-CG2 4.24Å; S83-V106 PolarHBondContact OG-N 2.84Å; S83-V106 PolarHBondContact OG-O 2.95Å; V104-V106 HydrophobicContact CG1-CG2 4.44Å
107	S	88.7	Confident	89.8	Confident	47 Å²	47	69.7 Å²	69.7	33%	0.329	40%	0.399	S	S	.	.			trans	-63.4	140.8	176.7	61.4	0	0	0	0	110.2	M4 P6	M4-S107 PolarHBondContact O-N 2.94Å; M4-S107 PolarHBondContact O-OG 3.22Å; P6-S107 WeakPolarHBondContact CD-O 3.39Å; P6-S107 WeakPolarHBondContact CG-O 3.5Å
108	S	76	Confident	90.8	Very high	162 Å²	162	64.2 Å²	64.2	100%	1.133	39%	0.389	S	S	*	.			trans	-69	0	171.8	57	0	0	0	0	112.4

Retrieved 108 of 108 residues in 80.1 ms (Link to these results)

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