X5J5A3_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5A3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 114 aa.

						>X5J5A3_MOUSE|X5J5A3
AELVRPGASVKLSCKATGYTFTGYWIEWVKQRPGHGLEWIGRIHPSDSDTNYNQKFKGKATLTVDKSSSTAYMQLSSLTSEDSAVYYCAIPRGLRGRYYAMDYWGQGTSVTVSS
					

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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	79.9	Confident	94.3	Very high	119 Å²	119	78.4 Å²	78.4	98%	0.983	46%	0.458	S	S	*	.				0	143.4	0	0	0	0	0	0	107.9	S109	A1-S109 CarbonylContact C-O 3.51Å; A1-S109 WeakPolarHBondContact CA-O 3.27Å
2	E	89.6	Confident	94.5	Very high	71 Å²	71	72.4 Å²	72.4	33%	0.332	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.1	-174.7	-155.2	170.6	147.9	0	0	110.2	V4 V10 S109 V110 T111	E2-V4 HydrophobicContact CG-CG1 3.93Å; E2-V10 HydrophobicContact CG-CG2 4.45Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.49Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.18Å; E2-S109 PolarHBondContact N-O 2.59Å; E2-V110 HydrophobicContact CB-CG2 4.45Å; E2-V110 CarbonylContact O-C 3.36Å; E2-V110 WeakPolarHBondContact O-CA 3.49Å; E2-T111 PolarHBondContact O-N 2.95Å
3	L	94.9	Very high	94.6	Very high	126 Å²	126	72.6 Å²	72.6	66%	0.66	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	120	176.1	-177.6	66.2	0	0	0	108.3	T111 S113	L3-T111 WeakPolarHBondContact CA-O 3.41Å; L3-T111 HydrophobicContact CD1-CG2 3.75Å; L3-S113 WeakPolarHBondContact CD1-OG 3.29Å
4	V	95.8	Very high	94.5	Very high	18 Å²	18	68.1 Å²	68.1	11%	0.109	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.2	-173.3	-63.6	0	0	0	0	111.2	E2 A8 L78 V110 T111 V112 S113	E2-V4 HydrophobicContact CG-CG1 3.93Å; V4-A8 HydrophobicContact CB-CB 4.2Å; V4-L78 HydrophobicContact CB-CD1 4.48Å; V4-L78 HydrophobicContact CG2-CD1 3.48Å; V4-L78 VanDerWaalsContact CG2-CD1 3.48Å; V4-V110 HydrophobicContact CG2-CG1 4.18Å; V4-T111 PolarHBondContact N-O 3.49Å; V4-V112 HydrophobicContact CG2-CB 4.42Å; V4-V112 HydrophobicContact CG2-CG1 4.48Å; V4-V112 HydrophobicContact CG2-CG2 3.87Å; V4-V112 VanDerWaalsContact O-CA 3.3Å; V4-V112 WeakPolarHBondContact O-CA 3.33Å; V4-S113 PolarHBondContact O-N 2.64Å
5	R	96.1	Very high	94.3	Very high	185 Å²	185	73.1 Å²	73.1	70%	0.698	42%	0.419	S	S	*	.			trans	-81.1	153.5	175.2	-68.4	-178.3	178.7	169	1.3	111	G7 A8	R5-G7 PolarHBondContact O-N 3.23Å; R5-A8 WeakPolarHBondContact O-CB 3.44Å; R5-A8 PolarHBondContact O-N 3.36Å; R5-A8 VanDerWaalsContact O-N 3.14Å
6	P	97.1	Very high	93.7	Very high	75 Å²	75	69.3 Å²	69.3	49%	0.487	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	140.5	169.7	-25.4	34.2	0	0	0	112	A8 L78 V112	P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 3.39Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.18Å; P6-V112 HydrophobicContact CB-CG1 4.42Å; P6-V112 HydrophobicContact CG-CG1 4.16Å
7	G	95.7	Very high	92.9	Very high	51 Å²	51	71.8 Å²	71.8	53%	0.526	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-13.7	-176.6	0	0	0	0	0	114.9	R5 L78	R5-G7 PolarHBondContact O-N 3.23Å; G7-L78 PolarHBondContact N-O 2.97Å
8	A	96.4	Very high	92	Very high	34 Å²	34	72.3 Å²	72.3	28%	0.281	44%	0.44	S	S	.	.			trans	-67.3	166.9	175.8	0	0	0	0	0	112.2	V4 R5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.2Å; R5-A8 WeakPolarHBondContact O-CB 3.44Å; R5-A8 PolarHBondContact O-N 3.36Å; R5-A8 VanDerWaalsContact O-N 3.14Å; P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 3.39Å; A8-S77 PolarHBondContact O-N 3.01Å; A8-L78 WeakPolarHBondContact O-CB 2.95Å; A8-L78 WeakPolarHBondContact O-CG 2.94Å; A8-L78 PolarHBondContact O-N 2.83Å
9	S	96.9	Very high	91	Very high	63 Å²	63	71.2 Å²	71.2	44%	0.441	43%	0.427	S	S	.	.			trans	-118.9	145.5	171.8	-54.8	0	0	0	0	109.8	L75 S76	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.03Å; S9-L75 WeakPolarHBondContact CB-O 2.99Å; S9-S76 WeakPolarHBondContact OG-CA 3.46Å
10	V	97	Very high	90.6	Very high	2 Å²	2	72.4 Å²	72.4	1%	0.012	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.3	177	59.3	0	0	0	0	109.9	E2 L12 Q74 L75 L78 V110	E2-V10 HydrophobicContact CG-CG2 4.45Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.49Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.18Å; V10-L12 HydrophobicContact CG2-CD2 3.67Å; V10-L12 HydrophobicContact CG2-CG 4.14Å; V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.49Å; V10-L75 HydrophobicContact CG1-CB 3.81Å; V10-L75 HydrophobicContact CG1-CD1 4.03Å; V10-L75 HydrophobicContact CG1-CG 4.36Å; V10-L75 PolarHBondContact N-O 2.96Å; V10-L75 PolarHBondContact O-N 2.77Å; V10-L78 HydrophobicContact CB-CD1 4.22Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.42Å; V10-V110 HydrophobicContact CG1-CG1 4.5Å
11	K	97.4	Very high	90.3	Very high	118 Å²	118	69.3 Å²	69.3	51%	0.513	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	110.3	171.5	-173.5	176.5	179.3	177.9	0	110.1	Y72	K11-Y72 HydrophobicContact CD-CD1 4.35Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.28Å
12	L	97.1	Very high	90.7	Very high	7 Å²	7	66.4 Å²	66.4	4%	0.037	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	147.6	175.7	-56.6	-178	0	0	0	110.1	V10 W28 Y72 M73 Y86 T108 V110	V10-L12 HydrophobicContact CG2-CD2 3.67Å; V10-L12 HydrophobicContact CG2-CG 4.14Å; L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 3.95Å; L12-Y72 CarbonylContact O-C 3.47Å; L12-Y72 WeakPolarHBondContact O-CA 3.32Å; L12-M73 HydrophobicContact CD1-CE 3.74Å; L12-M73 PolarHBondContact N-O 3.24Å; L12-M73 PolarHBondContact O-N 2.79Å; L12-Y86 VanDerWaalsContact CD1-CB 3.44Å; L12-Y86 HydrophobicContact CD1-CD1 4.42Å; L12-Y86 HydrophobicContact CD1-CD2 4.1Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å; L12-T108 HydrophobicContact CD2-CG2 3.83Å; L12-V110 HydrophobicContact CD1-CG2 4.28Å; L12-V110 HydrophobicContact CD2-CG2 4.02Å
13	S	95.8	Very high	90.5	Very high	75 Å²	75	65.1 Å²	65.1	52%	0.524	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.2	178.8	64.7	0	0	0	0	111.6	A71 Y72	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.02Å; S13-Y72 VanDerWaalsContact CB-CE1 3.49Å
14	C	93.5	Very high	90	Very high	9 Å²	9	63.2 Å²	63.2	6%	0.061	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	104.2	174.6	-178	0	0	0	0	108.5	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.86Å; C14-T70 WeakPolarHBondContact O-CA 3.47Å; C14-A71 PolarHBondContact N-O 2.97Å; C14-A71 PolarHBondContact O-N 3.24Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.24Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.98Å
15	K	91.6	Very high	89.8	Confident	144 Å²	144	65 Å²	65	63%	0.626	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	126	-179.3	-173.5	173.4	-176.7	178.2	0	110.3	T70	K15-T70 HydrophobicContact CB-CG2 4.46Å
16	A	84.6	Confident	89.6	Confident	12 Å²	12	56.2 Å²	56.2	10%	0.099	35%	0.348	C	S	.	.			trans	-73.3	135.5	175.2	0	0	0	0	0	111.6	Y19 F21 S69	A16-Y19 WeakPolarHBondContact CA-OH 3.45Å; A16-Y19 HydrophobicContact CB-CE1 3.72Å; A16-Y19 HydrophobicContact CB-CE2 3.81Å; A16-Y19 WeakPolarHBondContact CB-OH 3.43Å; A16-F21 HydrophobicContact CB-CB 3.97Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.24Å; A16-F21 HydrophobicContact CB-CG 4.08Å; A16-S69 WeakPolarHBondContact CB-O 3.5Å; A16-S69 PolarHBondContact N-O 2.96Å
17	T	80.7	Confident	89.5	Confident	111 Å²	111	53.2 Å²	53.2	68%	0.681	33%	0.327	S	S	*	.			trans	-137	133.8	173	56	0	0	0	0	109.4	Y19	T17-Y19 VanDerWaalsContact O-CD1 3.24Å; T17-Y19 WeakPolarHBondContact O-CD1 3.39Å; T17-Y19 PolarHBondContact O-N 3.09Å
18	G	76.4	Confident	89.5	Confident	82 Å²	82	51 Å²	51	85%	0.845	30%	0.303	S	S	*	.	S	Bend	trans	76.5	16.5	174.4	0	0	0	0	0	116.8
19	Y	72.7	Confident	89.5	Confident	50 Å²	50	49.5 Å²	49.5	20%	0.196	29%	0.291	C	S	.	.	S	Bend	trans	-152.9	165.5	172.8	64.7	-86.3	0	0	0	112.3	A16 T17 F21 Y24 I90	A16-Y19 WeakPolarHBondContact CA-OH 3.45Å; A16-Y19 HydrophobicContact CB-CE1 3.72Å; A16-Y19 HydrophobicContact CB-CE2 3.81Å; A16-Y19 WeakPolarHBondContact CB-OH 3.43Å; T17-Y19 VanDerWaalsContact O-CD1 3.24Å; T17-Y19 WeakPolarHBondContact O-CD1 3.39Å; T17-Y19 PolarHBondContact O-N 3.09Å; Y19-F21 PolarHBondContact O-N 3.23Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; Y19-Y24 AromaticContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CD2-CE2 4.49Å; Y19-I90 HydrophobicContact CE1-CD1 3.51Å; Y19-I90 HydrophobicContact CE1-CG1 4.39Å; Y19-I90 HydrophobicContact CE2-CD1 4.27Å; Y19-I90 HydrophobicContact CE2-CG1 4.3Å; Y19-I90 HydrophobicContact CE2-CG2 4.37Å; Y19-I90 WeakPolarHBondContact OH-CD1 3.45Å; Y19-I90 WeakPolarHBondContact OH-CG1 3.45Å
20	T	83.3	Confident	89.5	Confident	95 Å²	95	46.7 Å²	46.7	58%	0.583	27%	0.27	S	S	*	.			trans	-71.5	99.1	174.2	-50.8	0	0	0	0	110.2	T22 G23	T20-T22 PolarHBondContact O-N 3.45Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T20-G23 PolarHBondContact O-N 2.82Å
21	F	84.4	Confident	89.5	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.035	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-49.2	-39.2	-177.5	177.7	-118.8	0	0	0	113.8	A16 Y19 G23 I26 P45 V64 S69 T70 A71	A16-F21 HydrophobicContact CB-CB 3.97Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.24Å; A16-F21 HydrophobicContact CB-CG 4.08Å; Y19-F21 PolarHBondContact O-N 3.23Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; F21-G23 VanDerWaalsContact C-N 3.3Å; F21-G23 PolarHBondContact O-N 2.85Å; F21-I26 HydrophobicContact CD2-CD1 3.7Å; F21-I26 HydrophobicContact CE2-CD1 3.14Å; F21-I26 HydrophobicContact CZ-CD1 3.95Å; F21-P45 HydrophobicContact CD1-CB 3.8Å; F21-P45 HydrophobicContact CD1-CG 4.38Å; F21-P45 HydrophobicContact CD2-CG 4.29Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 4.1Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 4.08Å; F21-P45 HydrophobicContact CG-CB 4.34Å; F21-P45 HydrophobicContact CG-CG 4.49Å; F21-P45 HydrophobicContact CZ-CB 3.86Å; F21-P45 HydrophobicContact CZ-CG 3.94Å; F21-P45 WeakPolarHBondContact O-CG 3.37Å; F21-V64 HydrophobicContact CE1-CB 4.39Å; F21-V64 HydrophobicContact CZ-CB 4.29Å; F21-V64 HydrophobicContact CZ-CG1 4.12Å; F21-S69 WeakPolarHBondContact CE2-O 3.14Å; F21-T70 VanDerWaalsContact CZ-C 3.42Å; F21-A71 HydrophobicContact CE2-CB 4.29Å; F21-A71 HydrophobicContact CZ-CB 4.27Å
22	T	87.1	Confident	89.4	Confident	59 Å²	59	47.2 Å²	47.2	36%	0.362	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-80.9	-3.6	-177.3	52.8	0	0	0	0	114.8	T20	T20-T22 PolarHBondContact O-N 3.45Å; T20-T22 VanDerWaalsContact O-N 3.11Å
23	G	85.4	Confident	89.1	Confident	43 Å²	43	52.3 Å²	52.3	44%	0.443	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-95.4	-4.7	-176.1	0	0	0	0	0	115.2	T20 F21	T20-G23 PolarHBondContact O-N 2.82Å; F21-G23 VanDerWaalsContact C-N 3.3Å; F21-G23 PolarHBondContact O-N 2.85Å
24	Y	85.1	Confident	88.9	Confident	87 Å²	87	53 Å²	53	34%	0.341	33%	0.325	S	S	.	.	S	Bend	trans	-139.7	147.3	-172.1	-60.1	-84.1	0	0	0	111.8	Y19 P45 I90 P91	Y19-Y24 AromaticContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CD2-CE2 4.49Å; Y24-P45 WeakPolarHBondContact O-CD 3.41Å; Y24-I90 HydrophobicContact CG-CG2 4.05Å; Y24-P91 WeakPolarHBondContact CD1-O 3.5Å
25	W	90.8	Very high	88.9	Confident	56 Å²	56	58.2 Å²	58.2	21%	0.212	35%	0.348	C	S	.	.			trans	-63.9	142.8	166.1	-72.2	90.8	0	0	0	110.4	R42 H44 D49 P91	W25-R42 HydrophobicContact CD2-CG 4.26Å; W25-R42 HydrophobicContact CE3-CB 3.93Å; W25-R42 HydrophobicContact CE3-CG 3.44Å; W25-R42 VanDerWaalsContact CE3-CG 3.44Å; W25-R42 HydrophobicContact CZ3-CG 3.77Å; W25-H44 AromaticContact CD1-CD2 3.59Å; W25-H44 HydrophobicContact CD2-CB 3.73Å; W25-H44 AromaticContact CD2-CD2 3.75Å; W25-H44 AromaticContact CE2-CD2 3.6Å; W25-H44 AromaticContact CE2-CG 3.94Å; W25-H44 HydrophobicContact CE3-CB 3.62Å; W25-H44 VanDerWaalsContact CE3-N 3.3Å; W25-H44 AromaticContact CG-CD2 3.76Å; W25-H44 HydrophobicContact CH2-CB 3.62Å; W25-H44 HydrophobicContact CZ2-CB 3.7Å; W25-H44 HydrophobicContact CZ3-CB 3.59Å; W25-H44 VanDerWaalsContact CZ3-N 3.31Å; W25-H44 AromaticContact NE1-CD2 3.46Å; W25-H44 PolarHBondContact NE1-CD2 2.9Å; W25-D49 HydrophobicContact CH2-CB 3.85Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.27Å; W25-D49 VanDerWaalsContact CZ3-O 3.3Å; W25-D49 WeakPolarHBondContact CZ3-O 3.34Å; W25-P91 HydrophobicContact CB-CG 4.48Å; W25-P91 WeakPolarHBondContact O-CD 3.34Å
26	I	92.6	Very high	89	Confident	0 Å²	0	54 Å²	54	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.1	171.5	-62.1	173.7	0	0	0	107.6	F21 R42 I43 P45 A71 C88	F21-I26 HydrophobicContact CD2-CD1 3.7Å; F21-I26 HydrophobicContact CE2-CD1 3.14Å; F21-I26 HydrophobicContact CZ-CD1 3.95Å; I26-R42 CarbonylContact O-C 3.39Å; I26-R42 WeakPolarHBondContact O-CA 3.2Å; I26-R42 WeakPolarHBondContact O-CB 3.05Å; I26-I43 HydrophobicContact CB-CG2 4.24Å; I26-I43 PolarHBondContact N-O 3.27Å; I26-I43 PolarHBondContact O-N 2.66Å; I26-P45 HydrophobicContact CD1-CG 3.63Å; I26-P45 HydrophobicContact CG1-CG 4.11Å; I26-A71 HydrophobicContact CB-CB 4.41Å; I26-A71 HydrophobicContact CD1-CB 3.63Å; I26-A71 HydrophobicContact CG2-CB 4.03Å; I26-C88 HydrophobicContact CG2-CB 4.32Å
27	E	94.6	Very high	89.5	Confident	12 Å²	12	58 Å²	58	6%	0.056	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.4	-176.6	-55.9	-74	166.7	0	0	108.9	W39 R42 C88 A89 M101	E27-W39 PolarHBondContact OE2-NE1 3.15Å; E27-R42 WeakPolarHBondContact OE1-CD 3.36Å; E27-R42 IonicContact OE1-NH1 3.65Å; E27-R42 VanDerWaalsContact OE2-CB 3.32Å; E27-R42 WeakPolarHBondContact OE2-CB 3.3Å; E27-C88 CarbonylContact O-C 3.55Å; E27-C88 WeakPolarHBondContact O-CA 3.49Å; E27-A89 HydrophobicContact CB-CB 4.32Å; E27-A89 WeakPolarHBondContact CB-O 3.11Å; E27-A89 PolarHBondContact N-O 3.46Å; E27-A89 PolarHBondContact O-N 3.15Å; E27-M101 HydrophobicContact CB-CE 3.87Å; E27-M101 HydrophobicContact CB-SD 4.34Å; E27-M101 HydrophobicContact CG-CE 3.91Å
28	W	96.8	Very high	90.2	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.015	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.1	174.5	-71.8	89.7	0	0	0	110.1	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 3.95Å; C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.86Å; W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 2.99Å; W28-I40 PolarHBondContact O-N 2.66Å; W28-G41 PolarHBondContact N-O 3.03Å; W28-L62 HydrophobicContact CG-CD2 4Å; W28-A71 HydrophobicContact CZ2-CB 4.41Å; W28-M73 HydrophobicContact CB-SD 3.98Å; W28-M73 HydrophobicContact CD2-CB 3.67Å; W28-M73 HydrophobicContact CD2-CE 4.32Å; W28-M73 HydrophobicContact CD2-CG 4.46Å; W28-M73 HydrophobicContact CD2-SD 4.06Å; W28-M73 HydrophobicContact CE3-CB 3.81Å; W28-M73 HydrophobicContact CE3-CE 3.67Å; W28-M73 HydrophobicContact CE3-SD 4.02Å; W28-M73 HydrophobicContact CG-CB 4.29Å; W28-M73 HydrophobicContact CG-SD 4.08Å; W28-M73 HydrophobicContact CH2-CB 3.95Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 3.94Å; W28-M73 HydrophobicContact CZ3-CE 4.14Å; W28-Y87 WeakPolarHBondContact CA-O 3.43Å; W28-C88 HydrophobicContact CD2-CB 4.38Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.41Å; W28-C88 HydrophobicContact CZ2-CB 4.5Å; W28-C88 HydrophobicContact CZ3-CB 4.28Å
29	V	96.8	Very high	91.1	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	136.4	-171.4	-175.9	0	0	0	0	109.9	L37 E38 Y86 Y87 M101 W104	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.23Å; V29-Y87 PolarHBondContact N-O 2.81Å; V29-Y87 PolarHBondContact O-N 2.79Å; V29-M101 HydrophobicContact CG2-CE 4.35Å; V29-M101 HydrophobicContact CG2-SD 4.19Å; V29-W104 HydrophobicContact CB-CH2 4.14Å; V29-W104 HydrophobicContact CB-CZ3 3.9Å; V29-W104 HydrophobicContact CG1-CH2 4.09Å; V29-W104 HydrophobicContact CG1-CZ3 4.08Å; V29-W104 HydrophobicContact CG2-CH2 3.82Å; V29-W104 HydrophobicContact CG2-CZ3 3.97Å
30	K	96.9	Very high	92.3	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.7	173.9	-178.9	179.2	-179.5	179	0	109.5	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.9Å; K30-E38 PolarHBondContact O-N 3.15Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CB-CZ 4.37Å; K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 3.91Å; K30-E81 WeakPolarHBondContact CE-O 3.01Å; K30-E81 PolarHBondContact NZ-O 3.46Å; K30-D82 IonicContact NZ-OD1 3.81Å; K30-D82 PolarHBondContact NZ-OD1 3.1Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.55Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.92Å; K30-Y86 WeakPolarHBondContact CE-OH 3.43Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.7Å
31	Q	97	Very high	92.9	Very high	68 Å²	68	46.9 Å²	46.9	32%	0.318	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.4	170.1	-166.8	-179.4	25.9	0	0	110.3	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; Q31-V85 PolarHBondContact N-O 2.84Å; Q31-V85 PolarHBondContact O-N 3.11Å; Q31-Y87 HydrophobicContact CB-CD2 4.36Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å
32	R	95	Very high	93.4	Very high	64 Å²	64	49.9 Å²	49.9	24%	0.242	29%	0.286	C	S	.	.			trans	-88.3	148.1	172.5	-58.9	-178.9	-134.3	-166.5	-0.5	110.2	G34 H35 E38 A84	R32-G34 PolarHBondContact O-N 3.48Å; R32-H35 HydrophobicContact CB-CB 4.04Å; R32-H35 PolarHBondContact O-N 3.27Å; R32-E38 IonicContact CZ-OE1 2.82Å; R32-E38 VanDerWaalsContact CZ-OE1 3.24Å; R32-E38 IonicContact NE-OE1 3.27Å; R32-E38 PolarHBondContact NE-OE1 2.81Å; R32-E38 IonicContact NH2-OE1 2.85Å; R32-E38 PolarHBondContact NH2-OE1 2.82Å; R32-E38 IonicContact NH2-OE2 3.24Å; R32-E38 PolarHBondContact NH2-OE2 2.81Å; R32-A84 HydrophobicContact CG-CB 4.17Å
33	P	90.6	Very high	93.9	Very high	114 Å²	114	47.2 Å²	47.2	74%	0.74	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	125.8	172.9	-24.4	34	0	0	0	111.1	H35	P33-H35 VanDerWaalsContact C-N 3.28Å; P33-H35 PolarHBondContact O-CD2 2.82Å; P33-H35 PolarHBondContact O-N 2.89Å
34	G	92.3	Very high	94.3	Very high	90 Å²	90	46.5 Å²	46.5	93%	0.928	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	3.1	-179.1	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 3.48Å
35	H	93.1	Very high	94.7	Very high	118 Å²	118	42.4 Å²	42.4	55%	0.546	24%	0.238	S	C	.	.	S	Bend	trans	-117.1	162	175.7	-64.6	-97.5	0	0	0	112.1	R32 P33	R32-H35 HydrophobicContact CB-CB 4.04Å; R32-H35 PolarHBondContact O-N 3.27Å; P33-H35 VanDerWaalsContact C-N 3.28Å; P33-H35 PolarHBondContact O-CD2 2.82Å; P33-H35 PolarHBondContact O-N 2.89Å
36	G	92.8	Very high	94.8	Very high	55 Å²	55	42.1 Å²	42.1	57%	0.567	25%	0.245	S	C	*	.			trans	-69.3	176.7	172.3	0	0	0	0	0	113.4
37	L	94.6	Very high	94.9	Very high	96 Å²	96	47 Å²	47	50%	0.503	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.5	174.5	-63.7	174.2	0	0	0	110.5	V29 Q31 W104	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; L37-W104 HydrophobicContact CD1-CH2 3.78Å; L37-W104 HydrophobicContact CD1-CZ2 4.31Å; L37-W104 HydrophobicContact CD1-CZ3 4.4Å
38	E	95.9	Very high	94.9	Very high	32 Å²	32	49.2 Å²	49.2	15%	0.15	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.8	175.1	-64.5	-171.8	-93.4	0	0	109.6	V29 K30 R32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.37Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.9Å; K30-E38 PolarHBondContact O-N 3.15Å; R32-E38 IonicContact CZ-OE1 2.82Å; R32-E38 VanDerWaalsContact CZ-OE1 3.24Å; R32-E38 IonicContact NE-OE1 3.27Å; R32-E38 PolarHBondContact NE-OE1 2.81Å; R32-E38 IonicContact NH2-OE1 2.85Å; R32-E38 PolarHBondContact NH2-OE1 2.82Å; R32-E38 IonicContact NH2-OE2 3.24Å; R32-E38 PolarHBondContact NH2-OE2 2.81Å; E38-I40 PolarHBondContact O-N 2.93Å; E38-K55 IonicContact OE2-NZ 3.45Å; E38-F56 HydrophobicContact CB-CE2 4.48Å; E38-F56 HydrophobicContact CB-CZ 4.45Å
39	W	95.8	Very high	94.9	Very high	72 Å²	72	53.2 Å²	53.2	27%	0.273	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	127.5	175.6	-178	74.8	0	0	0	111.3	E27 G41 R42 N51 N53	E27-W39 PolarHBondContact OE2-NE1 3.15Å; W39-G41 VanDerWaalsContact CZ2-C 3.47Å; W39-R42 HydrophobicContact CZ2-CB 4.2Å; W39-R42 HydrophobicContact CZ2-CG 3.96Å; W39-N51 HydrophobicContact CH2-CB 4.38Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.44Å; W39-N53 HydrophobicContact CE3-CB 3.71Å; W39-N53 HydrophobicContact CZ3-CB 3.88Å; W39-N53 VanDerWaalsContact CZ3-N 3.27Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 3.01Å
40	I	97.4	Very high	94.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-50.2	-178.3	-62.3	172.9	0	0	0	110.5	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 2.99Å; W28-I40 PolarHBondContact O-N 2.66Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 2.93Å; I40-N53 WeakPolarHBondContact O-CB 3.47Å; I40-N53 PolarHBondContact O-N 3.33Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.12Å; I40-F56 HydrophobicContact CG1-CD2 4.18Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.09Å; I40-F56 HydrophobicContact CG1-CG 4.18Å; I40-F56 HydrophobicContact CG1-CZ 4.02Å; I40-F56 HydrophobicContact CG2-CB 3.78Å; I40-F56 HydrophobicContact CG2-CD1 4.16Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.84Å; I40-A60 HydrophobicContact CG2-CB 3.78Å; I40-M73 HydrophobicContact CD1-CE 3.84Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.95Å
41	G	96.4	Very high	94.8	Very high	0 Å²	0	59 Å²	59	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.1	178.7	-169.8	0	0	0	0	0	111.7	W28 W39 N51	W28-G41 PolarHBondContact N-O 3.03Å; W39-G41 VanDerWaalsContact CZ2-C 3.47Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.23Å
42	R	95.6	Very high	94.8	Very high	72 Å²	72	58.2 Å²	58.2	27%	0.272	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156.1	177	65.2	-176.5	-173.8	-171.4	-1	112.5	W25 I26 E27 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.26Å; W25-R42 HydrophobicContact CE3-CB 3.93Å; W25-R42 HydrophobicContact CE3-CG 3.44Å; W25-R42 VanDerWaalsContact CE3-CG 3.44Å; W25-R42 HydrophobicContact CZ3-CG 3.77Å; I26-R42 CarbonylContact O-C 3.39Å; I26-R42 WeakPolarHBondContact O-CA 3.2Å; I26-R42 WeakPolarHBondContact O-CB 3.05Å; E27-R42 WeakPolarHBondContact OE1-CD 3.36Å; E27-R42 IonicContact OE1-NH1 3.65Å; E27-R42 VanDerWaalsContact OE2-CB 3.32Å; E27-R42 WeakPolarHBondContact OE2-CB 3.3Å; W39-R42 HydrophobicContact CZ2-CB 4.2Å; W39-R42 HydrophobicContact CZ2-CG 3.96Å; R42-T50 WeakPolarHBondContact O-CA 3.37Å; R42-N51 HydrophobicContact CG-CB 3.99Å; R42-N51 PolarHBondContact N-O 2.7Å; R42-N51 PolarHBondContact O-N 3.32Å
43	I	95.8	Very high	94.9	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.6	176.1	-174.7	158.1	0	0	0	110.3	I26 D49 T50 L62 V64 A71	I26-I43 HydrophobicContact CB-CG2 4.24Å; I26-I43 PolarHBondContact N-O 3.27Å; I26-I43 PolarHBondContact O-N 2.66Å; I43-D49 CarbonylContact C-O 3.55Å; I43-D49 VanDerWaalsContact CA-O 3.3Å; I43-D49 WeakPolarHBondContact CA-O 3.23Å; I43-T50 HydrophobicContact CB-CG2 4.02Å; I43-T50 HydrophobicContact CD1-CG2 3.71Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; I43-L62 HydrophobicContact CB-CB 4.05Å; I43-L62 HydrophobicContact CB-CD1 4.3Å; I43-L62 HydrophobicContact CD1-CB 4.07Å; I43-L62 HydrophobicContact CG2-CB 4.33Å; I43-V64 HydrophobicContact CD1-CG1 3.75Å; I43-V64 HydrophobicContact CD1-CG2 4.35Å; I43-V64 HydrophobicContact CG1-CG1 3.88Å; I43-V64 HydrophobicContact CG2-CG1 3.96Å; I43-A71 HydrophobicContact CG2-CB 4.44Å
44	H	94.1	Very high	95.1	Very high	29 Å²	29	58.6 Å²	58.6	13%	0.134	33%	0.333	C	S	.	.			trans	-96.2	115.1	174.1	-163.4	-94.2	0	0	0	109.8	W25 S46 D47 S48 D49	W25-H44 AromaticContact CD1-CD2 3.59Å; W25-H44 HydrophobicContact CD2-CB 3.73Å; W25-H44 AromaticContact CD2-CD2 3.75Å; W25-H44 AromaticContact CE2-CD2 3.6Å; W25-H44 AromaticContact CE2-CG 3.94Å; W25-H44 HydrophobicContact CE3-CB 3.62Å; W25-H44 VanDerWaalsContact CE3-N 3.3Å; W25-H44 AromaticContact CG-CD2 3.76Å; W25-H44 HydrophobicContact CH2-CB 3.62Å; W25-H44 HydrophobicContact CZ2-CB 3.7Å; W25-H44 HydrophobicContact CZ3-CB 3.59Å; W25-H44 VanDerWaalsContact CZ3-N 3.31Å; W25-H44 AromaticContact NE1-CD2 3.46Å; W25-H44 PolarHBondContact NE1-CD2 2.9Å; H44-S46 PolarHBondContact CE1-OG 2.69Å; H44-S46 PolarHBondContact ND1-OG 2.79Å; H44-S46 PolarHBondContact O-N 2.9Å; H44-S46 VanDerWaalsContact O-N 3.15Å; H44-D47 WeakPolarHBondContact CB-OD1 3.09Å; H44-D47 IonicContact CG-OD1 3.77Å; H44-D47 IonicContact ND1-OD1 3.42Å; H44-D47 PolarHBondContact ND1-OD1 2.89Å; H44-S48 VanDerWaalsContact O-CA 3.22Å; H44-S48 WeakPolarHBondContact O-CA 3.15Å; H44-S48 PolarHBondContact O-N 2.88Å; H44-D49 PolarHBondContact N-O 3.46Å
45	P	93.4	Very high	95.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.5	-170.8	-21	34.9	0	0	0	115.3	F21 Y24 I26 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.8Å; F21-P45 HydrophobicContact CD1-CG 4.38Å; F21-P45 HydrophobicContact CD2-CG 4.29Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 4.1Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 4.08Å; F21-P45 HydrophobicContact CG-CB 4.34Å; F21-P45 HydrophobicContact CG-CG 4.49Å; F21-P45 HydrophobicContact CZ-CB 3.86Å; F21-P45 HydrophobicContact CZ-CG 3.94Å; F21-P45 WeakPolarHBondContact O-CG 3.37Å; Y24-P45 WeakPolarHBondContact O-CD 3.41Å; I26-P45 HydrophobicContact CD1-CG 3.63Å; I26-P45 HydrophobicContact CG1-CG 4.11Å; P45-V64 HydrophobicContact CB-CB 4.4Å; P45-V64 HydrophobicContact CB-CG1 3.98Å; P45-V64 HydrophobicContact CG-CG1 4.08Å; P45-K66 WeakPolarHBondContact O-CE 3.44Å
46	S	93.1	Very high	95.3	Very high	51 Å²	51	56.3 Å²	56.3	36%	0.357	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-42.2	178.4	71.4	0	0	0	0	113.2	H44 K66	H44-S46 PolarHBondContact CE1-OG 2.69Å; H44-S46 PolarHBondContact ND1-OG 2.79Å; H44-S46 PolarHBondContact O-N 2.9Å; H44-S46 VanDerWaalsContact O-N 3.15Å; S46-K66 PolarHBondContact O-NZ 2.82Å
47	D	94.8	Very high	95.3	Very high	101 Å²	101	60.3 Å²	60.3	54%	0.54	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-1.4	-172	52.3	10.5	0	0	0	112.6	H44 D49	H44-D47 WeakPolarHBondContact CB-OD1 3.09Å; H44-D47 IonicContact CG-OD1 3.77Å; H44-D47 IonicContact ND1-OD1 3.42Å; H44-D47 PolarHBondContact ND1-OD1 2.89Å; D47-D49 PolarHBondContact O-N 2.96Å; D47-D49 PolarHBondContact OD1-N 3.24Å; D47-D49 VanDerWaalsContact OD1-N 3.15Å
48	S	94.9	Very high	95.2	Very high	60 Å²	60	59.3 Å²	59.3	42%	0.42	31%	0.311	S	S	.	.			trans	61.5	23.2	-176.9	-53.5	0	0	0	0	113.1	H44	H44-S48 VanDerWaalsContact O-CA 3.22Å; H44-S48 WeakPolarHBondContact O-CA 3.15Å; H44-S48 PolarHBondContact O-N 2.88Å
49	D	96.3	Very high	95.2	Very high	87 Å²	87	59.9 Å²	59.9	47%	0.465	31%	0.313	S	S	.	.			trans	-63.7	141.5	173.5	-172.3	24	0	0	0	109.9	W25 I43 H44 D47	W25-D49 HydrophobicContact CH2-CB 3.85Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.27Å; W25-D49 VanDerWaalsContact CZ3-O 3.3Å; W25-D49 WeakPolarHBondContact CZ3-O 3.34Å; I43-D49 CarbonylContact C-O 3.55Å; I43-D49 VanDerWaalsContact CA-O 3.3Å; I43-D49 WeakPolarHBondContact CA-O 3.23Å; H44-D49 PolarHBondContact N-O 3.46Å; D47-D49 PolarHBondContact O-N 2.96Å; D47-D49 PolarHBondContact OD1-N 3.24Å; D47-D49 VanDerWaalsContact OD1-N 3.15Å
50	T	96.9	Very high	95.3	Very high	49 Å²	49	56.6 Å²	56.6	30%	0.301	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.2	-174.9	55.1	0	0	0	0	112	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.37Å; I43-T50 HydrophobicContact CB-CG2 4.02Å; I43-T50 HydrophobicContact CD1-CG2 3.71Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.46Å; T50-L62 HydrophobicContact CG2-CB 4.2Å
51	N	96.2	Very high	95.3	Very high	80 Å²	80	59.7 Å²	59.7	43%	0.428	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.1	170.8	-162	-97.3	0	0	0	109.5	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.38Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.44Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.23Å; R42-N51 HydrophobicContact CG-CB 3.99Å; R42-N51 PolarHBondContact N-O 2.7Å; R42-N51 PolarHBondContact O-N 3.32Å
52	Y	96.8	Very high	95.4	Very high	50 Å²	50	60.1 Å²	60.1	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147	-174.8	-66.5	-91.2	0	0	0	110.8	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.46Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 VanDerWaalsContact CE1-O 3.31Å; Y52-A60 WeakPolarHBondContact CE1-O 3.14Å; Y52-L62 HydrophobicContact CE1-CD1 4.01Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.82Å
53	N	96.2	Very high	95.5	Very high	45 Å²	45	59.5 Å²	59.5	24%	0.241	33%	0.327	C	S	.	.			trans	-68.5	136	157.5	-176.1	-27	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.71Å; W39-N53 HydrophobicContact CZ3-CB 3.88Å; W39-N53 VanDerWaalsContact CZ3-N 3.27Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 3.01Å; I40-N53 WeakPolarHBondContact O-CB 3.47Å; I40-N53 PolarHBondContact O-N 3.33Å; N53-K55 PolarHBondContact O-N 3.11Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 3.19Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.82Å; N53-K57 PolarHBondContact O-N 3.07Å
54	Q	95.2	Very high	95.5	Very high	141 Å²	141	60.9 Å²	60.9	66%	0.659	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-54.6	-33.7	-178.7	-63.9	-58.6	-30.5	0	0	112.8	F56 K57	Q54-F56 PolarHBondContact O-N 3.18Å; Q54-K57 PolarHBondContact O-N 2.83Å
55	K	93.4	Very high	95.6	Very high	152 Å²	152	62.1 Å²	62.1	66%	0.661	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-60.4	-29.9	177.6	-68.9	-175.6	178.8	-178.6	0	113.8	E38 N53	E38-K55 IonicContact OE2-NZ 3.45Å; N53-K55 PolarHBondContact O-N 3.11Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 3.19Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å
56	F	95.3	Very high	95.5	Very high	9 Å²	9	67.2 Å²	67.2	4%	0.039	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-106.8	-3.3	-175.2	-63.5	-84.4	0	0	0	112.7	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.37Å; K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 3.91Å; E38-F56 HydrophobicContact CB-CE2 4.48Å; E38-F56 HydrophobicContact CB-CZ 4.45Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.12Å; I40-F56 HydrophobicContact CG1-CD2 4.18Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.09Å; I40-F56 HydrophobicContact CG1-CG 4.18Å; I40-F56 HydrophobicContact CG1-CZ 4.02Å; I40-F56 HydrophobicContact CG2-CB 3.78Å; I40-F56 HydrophobicContact CG2-CD1 4.16Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.84Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.82Å; Q54-F56 PolarHBondContact O-N 3.18Å; F56-G58 PolarHBondContact O-N 3.28Å; F56-K59 WeakPolarHBondContact O-CB 3.21Å; F56-K59 PolarHBondContact O-N 3.03Å; F56-A60 HydrophobicContact CB-CB 4.36Å; F56-A60 PolarHBondContact O-N 3.4Å
57	K	93.2	Very high	95.5	Very high	138 Å²	138	70 Å²	70	60%	0.6	38%	0.384	S	S	*	.	B	Isolated β-bridge	trans	-63.2	121.6	176.3	-166.3	174.4	-178.5	-179.6	0	109.2	N53 Q54 K59	N53-K57 PolarHBondContact O-N 3.07Å; Q54-K57 PolarHBondContact O-N 2.83Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.83Å
58	G	92.6	Very high	95.4	Very high	76 Å²	76	67 Å²	67	78%	0.784	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-15.6	-174.7	0	0	0	0	0	114.8	F56	F56-G58 PolarHBondContact O-N 3.28Å
59	K	95.6	Very high	95.3	Very high	44 Å²	44	66.2 Å²	66.2	19%	0.191	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-42.8	172.7	-172.5	76.2	177.6	-159.2	0	111.8	F56 K57 L75 S76 S77 D82	F56-K59 WeakPolarHBondContact O-CB 3.21Å; F56-K59 PolarHBondContact O-N 3.03Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.83Å; K59-L75 WeakPolarHBondContact O-CA 3.49Å; K59-S76 WeakPolarHBondContact CD-O 3.45Å; K59-S76 WeakPolarHBondContact CE-O 3.32Å; K59-S76 PolarHBondContact NZ-O 2.79Å; K59-S76 PolarHBondContact O-N 2.89Å; K59-S77 PolarHBondContact NZ-O 2.84Å; K59-D82 WeakPolarHBondContact CE-OD2 3.41Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å
60	A	97.6	Very high	95.2	Very high	3 Å²	3	62.5 Å²	62.5	3%	0.025	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.1	-179	0	0	0	0	0	111	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.78Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 VanDerWaalsContact CE1-O 3.31Å; Y52-A60 WeakPolarHBondContact CE1-O 3.14Å; F56-A60 HydrophobicContact CB-CB 4.36Å; F56-A60 PolarHBondContact O-N 3.4Å; A60-M73 HydrophobicContact CB-CG 4.32Å; A60-M73 HydrophobicContact CB-SD 4.33Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.12Å; A60-L75 HydrophobicContact CB-CD2 3.87Å
61	T	98.1	Very high	95.2	Very high	65 Å²	65	60.1 Å²	60.1	40%	0.399	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.1	170.6	-59	0	0	0	0	108.9	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T61-M73 WeakPolarHBondContact O-CA 3.35Å; T61-Q74 PolarHBondContact N-O 2.03Å; T61-Q74 PolarHBondContact O-N 2.96Å
62	L	98.1	Very high	95.2	Very high	9 Å²	9	58.7 Å²	58.7	5%	0.047	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.8	178.2	-53.3	-176.9	0	0	0	110.5	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4Å; I43-L62 HydrophobicContact CB-CB 4.05Å; I43-L62 HydrophobicContact CB-CD1 4.3Å; I43-L62 HydrophobicContact CD1-CB 4.07Å; I43-L62 HydrophobicContact CG2-CB 4.33Å; T50-L62 HydrophobicContact CG2-CB 4.2Å; Y52-L62 HydrophobicContact CE1-CD1 4.01Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.82Å; L62-Y72 WeakPolarHBondContact CA-O 3.31Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.15Å
63	T	97.7	Very high	95.3	Very high	59 Å²	59	56.3 Å²	56.3	36%	0.362	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	162.4	176.6	57	0	0	0	0	110.8	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.14Å; T63-Y72 PolarHBondContact N-O 3.32Å; T63-Y72 PolarHBondContact O-N 3.44Å
64	V	96.6	Very high	95.4	Very high	31 Å²	31	58 Å²	58	19%	0.188	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.5	176.6	-69.6	0	0	0	0	110.7	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.39Å; F21-V64 HydrophobicContact CZ-CB 4.29Å; F21-V64 HydrophobicContact CZ-CG1 4.12Å; I43-V64 HydrophobicContact CD1-CG1 3.75Å; I43-V64 HydrophobicContact CD1-CG2 4.35Å; I43-V64 HydrophobicContact CG1-CG1 3.88Å; I43-V64 HydrophobicContact CG2-CG1 3.96Å; P45-V64 HydrophobicContact CB-CB 4.4Å; P45-V64 HydrophobicContact CB-CG1 3.98Å; P45-V64 HydrophobicContact CG-CG1 4.08Å; V64-A71 HydrophobicContact CG1-CB 4.11Å
65	D	95.2	Very high	95.5	Very high	54 Å²	54	51.4 Å²	51.4	29%	0.289	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	107.2	164.5	175.1	8.3	0	0	0	108.4	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.81Å; D65-S67 WeakPolarHBondContact OD1-CB 3.38Å; D65-S67 PolarHBondContact OD1-N 2.94Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 2.88Å; D65-S68 WeakPolarHBondContact CB-OG 3.38Å; D65-S68 PolarHBondContact OD1-N 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.12Å; D65-S68 PolarHBondContact OD2-OG 3.14Å; D65-S69 WeakPolarHBondContact O-CA 3.34Å; D65-S69 PolarHBondContact O-N 3.5Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.96Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å
66	K	92.4	Very high	95.6	Very high	107 Å²	107	45.7 Å²	45.7	47%	0.465	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-31.2	-178.4	-57.4	-178.3	-166.9	-170.9	0	111.8	P45 S46 S69	P45-K66 WeakPolarHBondContact O-CE 3.44Å; S46-K66 PolarHBondContact O-NZ 2.82Å; K66-S69 PolarHBondContact O-N 2.8Å
67	S	91.8	Very high	95.7	Very high	110 Å²	110	49 Å²	49	77%	0.769	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-39.6	-176.7	72.7	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.81Å; D65-S67 WeakPolarHBondContact OD1-CB 3.38Å; D65-S67 PolarHBondContact OD1-N 2.94Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 2.88Å
68	S	93.2	Very high	95.8	Very high	38 Å²	38	42.5 Å²	42.5	27%	0.266	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	0.7	176.8	66	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.38Å; D65-S68 PolarHBondContact OD1-N 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.12Å; D65-S68 PolarHBondContact OD2-OG 3.14Å; S68-T70 PolarHBondContact O-N 3.3Å; S68-T70 PolarHBondContact O-OG1 3.38Å; S68-T70 WeakPolarHBondContact OG-CB 3.47Å; S68-T70 PolarHBondContact OG-OG1 2.98Å
69	S	92.6	Very high	96	Very high	44 Å²	44	41.8 Å²	41.8	31%	0.308	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	44.7	-173.7	-62.8	0	0	0	0	112.8	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.5Å; A16-S69 PolarHBondContact N-O 2.96Å; F21-S69 WeakPolarHBondContact CE2-O 3.14Å; D65-S69 WeakPolarHBondContact O-CA 3.34Å; D65-S69 PolarHBondContact O-N 3.5Å; D65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 2.8Å
70	T	95.1	Very high	95.9	Very high	8 Å²	8	43.8 Å²	43.8	5%	0.049	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.6	-174.2	-55.7	0	0	0	0	110.8	C14 K15 F21 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.47Å; K15-T70 HydrophobicContact CB-CG2 4.46Å; F21-T70 VanDerWaalsContact CZ-C 3.42Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-N 3.3Å; S68-T70 PolarHBondContact O-OG1 3.38Å; S68-T70 WeakPolarHBondContact OG-CB 3.47Å; S68-T70 PolarHBondContact OG-OG1 2.98Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å
71	A	95.8	Very high	95.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	149.3	167.7	0	0	0	0	0	110	S13 C14 F21 I26 W28 I43 T63 V64	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.02Å; C14-A71 PolarHBondContact N-O 2.97Å; C14-A71 PolarHBondContact O-N 3.24Å; F21-A71 HydrophobicContact CE2-CB 4.29Å; F21-A71 HydrophobicContact CZ-CB 4.27Å; I26-A71 HydrophobicContact CB-CB 4.41Å; I26-A71 HydrophobicContact CD1-CB 3.63Å; I26-A71 HydrophobicContact CG2-CB 4.03Å; W28-A71 HydrophobicContact CZ2-CB 4.41Å; I43-A71 HydrophobicContact CG2-CB 4.44Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.14Å; V64-A71 HydrophobicContact CG1-CB 4.11Å
72	Y	97.5	Very high	95.6	Very high	50 Å²	50	47.3 Å²	47.3	20%	0.196	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.6	178.2	-56	-88.4	0	0	0	111.2	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.35Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.28Å; L12-Y72 CarbonylContact O-C 3.47Å; L12-Y72 WeakPolarHBondContact O-CA 3.32Å; S13-Y72 VanDerWaalsContact CB-CE1 3.49Å; L62-Y72 WeakPolarHBondContact CA-O 3.31Å; T63-Y72 PolarHBondContact N-O 3.32Å; T63-Y72 PolarHBondContact O-N 3.44Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å
73	M	98	Very high	95.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.3	166.8	176.8	176.5	69.8	0	0	108.5	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.74Å; L12-M73 PolarHBondContact N-O 3.24Å; L12-M73 PolarHBondContact O-N 2.79Å; W28-M73 HydrophobicContact CB-SD 3.98Å; W28-M73 HydrophobicContact CD2-CB 3.67Å; W28-M73 HydrophobicContact CD2-CE 4.32Å; W28-M73 HydrophobicContact CD2-CG 4.46Å; W28-M73 HydrophobicContact CD2-SD 4.06Å; W28-M73 HydrophobicContact CE3-CB 3.81Å; W28-M73 HydrophobicContact CE3-CE 3.67Å; W28-M73 HydrophobicContact CE3-SD 4.02Å; W28-M73 HydrophobicContact CG-CB 4.29Å; W28-M73 HydrophobicContact CG-SD 4.08Å; W28-M73 HydrophobicContact CH2-CB 3.95Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 3.94Å; W28-M73 HydrophobicContact CZ3-CE 4.14Å; I40-M73 HydrophobicContact CD1-CE 3.84Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; A60-M73 HydrophobicContact CB-CG 4.32Å; A60-M73 HydrophobicContact CB-SD 4.33Å; T61-M73 WeakPolarHBondContact O-CA 3.35Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.15Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.25Å; M73-L75 HydrophobicContact CE-CG 4.05Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.41Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.28Å; M73-Y86 HydrophobicContact CE-CG 4.22Å
74	Q	98.1	Very high	95.5	Very high	81 Å²	81	45.9 Å²	45.9	38%	0.379	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.4	169.6	-176.3	171.9	-3.9	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.49Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.12Å; T61-Q74 PolarHBondContact N-O 2.03Å; T61-Q74 PolarHBondContact O-N 2.96Å
75	L	97.4	Very high	95.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.4	171.5	-63.7	166.4	0	0	0	108.5	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.03Å; S9-L75 WeakPolarHBondContact CB-O 2.99Å; V10-L75 HydrophobicContact CG1-CB 3.81Å; V10-L75 HydrophobicContact CG1-CD1 4.03Å; V10-L75 HydrophobicContact CG1-CG 4.36Å; V10-L75 PolarHBondContact N-O 2.96Å; V10-L75 PolarHBondContact O-N 2.77Å; K59-L75 WeakPolarHBondContact O-CA 3.49Å; A60-L75 HydrophobicContact CB-CD2 3.87Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.25Å; M73-L75 HydrophobicContact CE-CG 4.05Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.08Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 4.12Å
76	S	96.8	Very high	95.7	Very high	32 Å²	32	43.9 Å²	43.9	22%	0.224	26%	0.257	C	S	.	.			trans	-109.6	153.7	-175.9	-59.2	0	0	0	0	112	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.46Å; K59-S76 WeakPolarHBondContact CD-O 3.45Å; K59-S76 WeakPolarHBondContact CE-O 3.32Å; K59-S76 PolarHBondContact NZ-O 2.79Å; K59-S76 PolarHBondContact O-N 2.89Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.88Å
77	S	95.9	Very high	95.9	Very high	79 Å²	79	40.9 Å²	40.9	55%	0.552	24%	0.243	S	C	*	.	S	Bend	trans	52.2	48.9	172.2	-54.1	0	0	0	0	113.2	A8 K59	A8-S77 PolarHBondContact O-N 3.01Å; K59-S77 PolarHBondContact NZ-O 2.84Å
78	L	96.4	Very high	96.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.211	C	C	.	.			trans	-59.7	142.8	-172.3	-69.8	173.8	0	0	0	113.2	V4 P6 G7 A8 V10 L75 S76 D82 V110 V112	V4-L78 HydrophobicContact CB-CD1 4.48Å; V4-L78 HydrophobicContact CG2-CD1 3.48Å; V4-L78 VanDerWaalsContact CG2-CD1 3.48Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.18Å; G7-L78 PolarHBondContact N-O 2.97Å; A8-L78 WeakPolarHBondContact O-CB 2.95Å; A8-L78 WeakPolarHBondContact O-CG 2.94Å; A8-L78 PolarHBondContact O-N 2.83Å; V10-L78 HydrophobicContact CB-CD1 4.22Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.42Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.88Å; L78-D82 WeakPolarHBondContact CA-OD2 3.28Å; L78-D82 HydrophobicContact CD2-CB 3.61Å; L78-V110 HydrophobicContact CD1-CG1 4.38Å; L78-V112 HydrophobicContact CB-CG1 4.25Å; L78-V112 HydrophobicContact CB-CG2 3.97Å; L78-V112 HydrophobicContact CD1-CG2 4.21Å
79	T	95.9	Very high	96	Very high	61 Å²	61	34.6 Å²	34.6	37%	0.374	20%	0.199	S	C	.	.			trans	-119.1	170.6	173.2	67	0	0	0	0	110.4	E81 D82 V112	T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-D82 PolarHBondContact N-OD2 3.48Å; T79-D82 WeakPolarHBondContact O-CB 3.16Å; T79-D82 PolarHBondContact O-N 2.97Å; T79-D82 PolarHBondContact OG1-OD2 2.91Å; T79-V112 WeakPolarHBondContact O-CB 3.08Å; T79-V112 WeakPolarHBondContact O-CG2 3.41Å
80	S	94.6	Very high	95.6	Very high	86 Å²	86	33.3 Å²	33.3	60%	0.601	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-54.3	-33.1	176.1	50.8	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.46Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.08Å
81	E	93.1	Very high	94.5	Very high	130 Å²	130	33.5 Å²	33.5	61%	0.607	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-66.4	-15.6	176.2	-60.3	-173.9	-179.2	0	0	114.1	K30 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.01Å; K30-E81 PolarHBondContact NZ-O 3.46Å; T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.15Å; E81-S83 VanDerWaalsContact C-N 3.28Å
82	D	95.6	Very high	93	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.064	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-83.7	-3.4	174.3	-62.6	-47.6	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86 V112	K30-D82 IonicContact NZ-OD1 3.81Å; K30-D82 PolarHBondContact NZ-OD1 3.1Å; K59-D82 WeakPolarHBondContact CE-OD2 3.41Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å; L78-D82 WeakPolarHBondContact CA-OD2 3.28Å; L78-D82 HydrophobicContact CD2-CB 3.61Å; T79-D82 PolarHBondContact N-OD2 3.48Å; T79-D82 WeakPolarHBondContact O-CB 3.16Å; T79-D82 PolarHBondContact O-N 2.97Å; T79-D82 PolarHBondContact OG1-OD2 2.91Å; S80-D82 PolarHBondContact O-N 2.86Å; D82-A84 PolarHBondContact O-N 2.98Å; D82-A84 VanDerWaalsContact O-N 3.15Å; D82-Y86 WeakPolarHBondContact O-CE2 3.3Å; D82-Y86 PolarHBondContact O-OH 3Å; D82-V112 HydrophobicContact CB-CG2 4.3Å
83	S	97.1	Very high	91	Very high	34 Å²	34	38.3 Å²	38.3	24%	0.238	22%	0.223	C	C	.	.			trans	-65.9	112.3	172.2	-56.6	0	0	0	0	110.4	S80 E81 V110 V112	S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.46Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.08Å; E81-S83 VanDerWaalsContact C-N 3.28Å; S83-V110 CarbonylContact C-O 3.52Å; S83-V110 VanDerWaalsContact CA-O 3.27Å; S83-V110 WeakPolarHBondContact CA-O 3.49Å; S83-V112 PolarHBondContact OG-N 2.94Å
84	A	97.6	Very high	88.5	Confident	5 Å²	5	46.3 Å²	46.3	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	169.2	-171.3	0	0	0	0	0	111	K30 Q31 R32 D82 Y86 V110	K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.55Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.46Å; R32-A84 HydrophobicContact CG-CB 4.17Å; D82-A84 PolarHBondContact O-N 2.98Å; D82-A84 VanDerWaalsContact O-N 3.15Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; A84-V110 PolarHBondContact N-O 2.68Å; A84-V110 PolarHBondContact O-N 3.41Å
85	V	97.9	Very high	86.3	Confident	40 Å²	40	54.9 Å²	54.9	24%	0.242	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.6	161	-169.4	0	0	0	0	108.6	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.84Å; Q31-V85 PolarHBondContact O-N 3.11Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 3.85Å; V85-Y87 HydrophobicContact CG1-CE2 3.55Å; V85-Y87 VanDerWaalsContact CG1-OH 3.32Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.3Å
86	Y	97.8	Very high	83.9	Confident	3 Å²	3	57.7 Å²	57.7	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.8	179.2	-68.6	-89	0	0	0	109.8	L12 V29 K30 I40 M73 L75 D82 A84 G107 T108 V110	L12-Y86 VanDerWaalsContact CD1-CB 3.44Å; L12-Y86 HydrophobicContact CD1-CD1 4.42Å; L12-Y86 HydrophobicContact CD1-CD2 4.1Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.23Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.92Å; K30-Y86 WeakPolarHBondContact CE-OH 3.43Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.7Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.95Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.28Å; M73-Y86 HydrophobicContact CE-CG 4.22Å; L75-Y86 HydrophobicContact CD1-CD1 4.08Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 4.12Å; D82-Y86 WeakPolarHBondContact O-CE2 3.3Å; D82-Y86 PolarHBondContact O-OH 3Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; Y86-G107 CarbonylContact O-C 3.43Å; Y86-G107 VanDerWaalsContact O-CA 3.23Å; Y86-G107 WeakPolarHBondContact O-CA 3.22Å; Y86-T108 PolarHBondContact N-O 3.29Å; Y86-T108 PolarHBondContact O-N 2.87Å; Y86-V110 HydrophobicContact CD2-CB 3.98Å; Y86-V110 HydrophobicContact CD2-CG2 3.74Å; Y86-V110 HydrophobicContact CE2-CB 3.81Å; Y86-V110 HydrophobicContact CE2-CG2 4.01Å
87	Y	96.5	Very high	81.7	Confident	44 Å²	44	67 Å²	67	17%	0.173	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.7	-178.4	-58.5	-87.9	0	0	0	109.9	W28 V29 Q31 V85 W104 G105	W28-Y87 WeakPolarHBondContact CA-O 3.43Å; V29-Y87 PolarHBondContact N-O 2.81Å; V29-Y87 PolarHBondContact O-N 2.79Å; Q31-Y87 HydrophobicContact CB-CD2 4.36Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 PolarHBondContact OE1-OH 2.9Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 3.85Å; V85-Y87 HydrophobicContact CG1-CE2 3.55Å; V85-Y87 VanDerWaalsContact CG1-OH 3.32Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.3Å; Y87-W104 HydrophobicContact CD1-CE3 4.34Å; Y87-W104 HydrophobicContact CG-CE3 4.03Å; Y87-W104 HydrophobicContact CG-CZ3 4.19Å; Y87-G105 WeakPolarHBondContact CD1-O 3.33Å
88	C	94.3	Very high	79.4	Confident	15 Å²	15	72.9 Å²	72.9	10%	0.101	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	147.9	155.1	63.9	0	0	0	0	109.2	C14 I26 E27 W28 G105	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.24Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.98Å; I26-C88 HydrophobicContact CG2-CB 4.32Å; E27-C88 CarbonylContact O-C 3.55Å; E27-C88 WeakPolarHBondContact O-CA 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.38Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.41Å; W28-C88 HydrophobicContact CZ2-CB 4.5Å; W28-C88 HydrophobicContact CZ3-CB 4.28Å; C88-G105 PolarHBondContact O-N 3.31Å
89	A	91.9	Very high	77.5	Confident	0 Å²	0	82 Å²	82	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154	174.8	0	0	0	0	0	111	E27 M101 Y103 W104	E27-A89 HydrophobicContact CB-CB 4.32Å; E27-A89 WeakPolarHBondContact CB-O 3.11Å; E27-A89 PolarHBondContact N-O 3.46Å; E27-A89 PolarHBondContact O-N 3.15Å; A89-M101 HydrophobicContact CB-CB 4.07Å; A89-M101 HydrophobicContact CB-CG 4.17Å; A89-M101 HydrophobicContact CB-SD 3.9Å; A89-Y103 CarbonylContact C-O 3.59Å; A89-Y103 WeakPolarHBondContact CA-O 2.99Å; A89-Y103 WeakPolarHBondContact CB-O 3.42Å; A89-W104 HydrophobicContact CB-CD2 3.81Å; A89-W104 HydrophobicContact CB-CE3 4.04Å; A89-W104 HydrophobicContact CB-CG 4.22Å; A89-W104 HydrophobicContact CB-CH2 4.41Å; A89-W104 HydrophobicContact CB-CZ2 4.22Å; A89-W104 HydrophobicContact CB-CZ3 4.33Å
90	I	85.2	Confident	75.7	Confident	17 Å²	17	81.4 Å²	81.4	9%	0.087	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126	175.3	-52.2	123.3	0	0	0	107.1	Y19 Y24 R92 D102 Y103	Y19-I90 HydrophobicContact CE1-CD1 3.51Å; Y19-I90 HydrophobicContact CE1-CG1 4.39Å; Y19-I90 HydrophobicContact CE2-CD1 4.27Å; Y19-I90 HydrophobicContact CE2-CG1 4.3Å; Y19-I90 HydrophobicContact CE2-CG2 4.37Å; Y19-I90 WeakPolarHBondContact OH-CD1 3.45Å; Y19-I90 WeakPolarHBondContact OH-CG1 3.45Å; Y24-I90 HydrophobicContact CG-CG2 4.05Å; I90-R92 PolarHBondContact O-N 2.79Å; I90-D102 PolarHBondContact O-N 2.76Å; I90-Y103 PolarHBondContact N-O 3.32Å; I90-Y103 PolarHBondContact O-N 3.31Å
91	P	71.6	Confident	74.5	Confident	13 Å²	13	80.2 Å²	80.2	8%	0.084	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.1	170	28.5	-27.3	0	0	0	108.8	Y24 W25 A100	Y24-P91 WeakPolarHBondContact CD1-O 3.5Å; W25-P91 HydrophobicContact CB-CG 4.48Å; W25-P91 WeakPolarHBondContact O-CD 3.34Å; P91-A100 VanDerWaalsContact CA-O 3.23Å; P91-A100 WeakPolarHBondContact CA-O 3.47Å
92	R	64.2	Low	73.5	Confident	99 Å²	99	78.1 Å²	78.1	37%	0.374	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	143.8	156.2	-75.7	-160.4	-165.2	176.7	0.7	107.6	I90 D102 Y103	I90-R92 PolarHBondContact O-N 2.79Å; R92-D102 VanDerWaalsContact C-OD2 3.28Å; R92-D102 WeakPolarHBondContact CA-OD2 3.45Å; R92-D102 HydrophobicContact CB-CB 3.78Å; R92-D102 WeakPolarHBondContact CB-OD2 3.43Å; R92-D102 HydrophobicContact CG-CB 4.41Å; R92-Y103 HydrophobicContact CB-CD2 4.39Å; R92-Y103 HydrophobicContact CB-CE2 4.24Å; R92-Y103 HydrophobicContact CG-CD2 3.61Å; R92-Y103 HydrophobicContact CG-CE2 3.51Å; R92-Y103 VanDerWaalsContact NE-CZ 3.28Å; R92-Y103 PolarHBondContact NH1-OH 3.03Å; R92-Y103 PolarHBondContact NH2-OH 2.99Å
93	G	54.2	Low	72.8	Confident	51 Å²	51	82.5 Å²	82.5	53%	0.526	40%	0.397	S	S	.	.			trans	173.7	106.6	-174.4	0	0	0	0	0	108.9
94	L	47.1	Very low	72.4	Confident	168 Å²	168	85.6 Å²	85.6	88%	0.88	40%	0.404	S	S	*	.			trans	-54.8	145.4	168.4	-70.8	163.9	0	0	0	109.1	G96	L94-G96 PolarHBondContact O-N 3.42Å
95	R	50.3	Low	72	Confident	262 Å²	262	86.8 Å²	86.8	99%	0.989	42%	0.416	S	S	*	.	S	Bend	trans	-17.9	93.5	167.5	-68.9	177.6	171.3	-172.4	-3.1	113.4
96	G	48.3	Very low	71.8	Confident	60 Å²	60	93.8 Å²	93.8	62%	0.619	45%	0.446	S	S	*	.	S	Bend	trans	119.2	104	169	0	0	0	0	0	116.4	L94	L94-G96 PolarHBondContact O-N 3.42Å
97	R	50.3	Low	71.6	Confident	228 Å²	228	95 Å²	95	86%	0.86	46%	0.459	S	S	*	.	S	Bend	trans	83.8	1.3	140.1	-70.7	-170.2	178.7	-138.3	0.9	122.8
98	Y	47.4	Very low	71.6	Confident	201 Å²	201	95.3 Å²	95.3	79%	0.788	47%	0.466	S	S	*	.			trans	-138.5	110.7	166.3	-64.9	-82	0	0	0	111.7	A100	Y98-A100 PolarHBondContact O-N 3.15Å
99	Y	56.3	Low	71.7	Confident	194 Å²	194	96.7 Å²	96.7	76%	0.761	48%	0.476	S	S	*	.			trans	-89.2	72.6	176.9	-61.3	-79.4	0	0	0	110
100	A	59.6	Low	72	Confident	48 Å²	48	96.7 Å²	96.7	40%	0.397	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.8	167.9	0	0	0	0	0	109	P91 Y98 D102	P91-A100 VanDerWaalsContact CA-O 3.23Å; P91-A100 WeakPolarHBondContact CA-O 3.47Å; Y98-A100 PolarHBondContact O-N 3.15Å; A100-D102 VanDerWaalsContact C-N 3.32Å; A100-D102 WeakPolarHBondContact CB-OD1 3.49Å; A100-D102 PolarHBondContact O-N 2.87Å
101	M	67.9	Low	72.6	Confident	61 Å²	61	98.9 Å²	98.9	30%	0.3	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	88.7	171.3	-69.9	-178.6	-171.1	0	0	108.1	E27 V29 A89 W104	E27-M101 HydrophobicContact CB-CE 3.87Å; E27-M101 HydrophobicContact CB-SD 4.34Å; E27-M101 HydrophobicContact CG-CE 3.91Å; V29-M101 HydrophobicContact CG2-CE 4.35Å; V29-M101 HydrophobicContact CG2-SD 4.19Å; A89-M101 HydrophobicContact CB-CB 4.07Å; A89-M101 HydrophobicContact CB-CG 4.17Å; A89-M101 HydrophobicContact CB-SD 3.9Å; M101-W104 HydrophobicContact CB-CZ2 3.74Å; M101-W104 HydrophobicContact CG-CZ2 4.25Å; M101-W104 PolarHBondContact O-NE1 3.08Å; M101-W104 HydrophobicContact SD-CH2 3.74Å; M101-W104 HydrophobicContact SD-CZ2 3.45Å; M101-W104 WeakPolarHBondContact SD-CZ2 3.42Å
102	D	71.8	Confident	73.8	Confident	86 Å²	86	98.6 Å²	98.6	46%	0.46	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-23.9	-170.1	-69.9	-19.4	0	0	0	113.4	I90 R92 A100	I90-D102 PolarHBondContact O-N 2.76Å; R92-D102 VanDerWaalsContact C-OD2 3.28Å; R92-D102 WeakPolarHBondContact CA-OD2 3.45Å; R92-D102 HydrophobicContact CB-CB 3.78Å; R92-D102 WeakPolarHBondContact CB-OD2 3.43Å; R92-D102 HydrophobicContact CG-CB 4.41Å; A100-D102 VanDerWaalsContact C-N 3.32Å; A100-D102 WeakPolarHBondContact CB-OD1 3.49Å; A100-D102 PolarHBondContact O-N 2.87Å
103	Y	81.5	Confident	75.2	Confident	103 Å²	103	96.4 Å²	96.4	40%	0.404	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.8	179.4	-71.3	-95.5	0	0	0	110	A89 I90 R92	A89-Y103 CarbonylContact C-O 3.59Å; A89-Y103 WeakPolarHBondContact CA-O 2.99Å; A89-Y103 WeakPolarHBondContact CB-O 3.42Å; I90-Y103 PolarHBondContact N-O 3.32Å; I90-Y103 PolarHBondContact O-N 3.31Å; R92-Y103 HydrophobicContact CB-CD2 4.39Å; R92-Y103 HydrophobicContact CB-CE2 4.24Å; R92-Y103 HydrophobicContact CG-CD2 3.61Å; R92-Y103 HydrophobicContact CG-CE2 3.51Å; R92-Y103 VanDerWaalsContact NE-CZ 3.28Å; R92-Y103 PolarHBondContact NH1-OH 3.03Å; R92-Y103 PolarHBondContact NH2-OH 2.99Å
104	W	89.3	Confident	76.7	Confident	100 Å²	100	101.2 Å²	101.2	38%	0.379	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.6	176.6	-69.9	73.9	0	0	0	110	V29 L37 Y87 A89 M101	V29-W104 HydrophobicContact CB-CH2 4.14Å; V29-W104 HydrophobicContact CB-CZ3 3.9Å; V29-W104 HydrophobicContact CG1-CH2 4.09Å; V29-W104 HydrophobicContact CG1-CZ3 4.08Å; V29-W104 HydrophobicContact CG2-CH2 3.82Å; V29-W104 HydrophobicContact CG2-CZ3 3.97Å; L37-W104 HydrophobicContact CD1-CH2 3.78Å; L37-W104 HydrophobicContact CD1-CZ2 4.31Å; L37-W104 HydrophobicContact CD1-CZ3 4.4Å; Y87-W104 HydrophobicContact CD1-CE3 4.34Å; Y87-W104 HydrophobicContact CG-CE3 4.03Å; Y87-W104 HydrophobicContact CG-CZ3 4.19Å; A89-W104 HydrophobicContact CB-CD2 3.81Å; A89-W104 HydrophobicContact CB-CE3 4.04Å; A89-W104 HydrophobicContact CB-CG 4.22Å; A89-W104 HydrophobicContact CB-CH2 4.41Å; A89-W104 HydrophobicContact CB-CZ2 4.22Å; A89-W104 HydrophobicContact CB-CZ3 4.33Å; M101-W104 HydrophobicContact CB-CZ2 3.74Å; M101-W104 HydrophobicContact CG-CZ2 4.25Å; M101-W104 PolarHBondContact O-NE1 3.08Å; M101-W104 HydrophobicContact SD-CH2 3.74Å; M101-W104 HydrophobicContact SD-CZ2 3.45Å; M101-W104 WeakPolarHBondContact SD-CZ2 3.42Å
105	G	89.6	Confident	78.2	Confident	29 Å²	29	97.9 Å²	97.9	30%	0.299	50%	0.495	S	S	.	.			trans	-65.6	160.9	163.6	0	0	0	0	0	110.8	Y87 C88 G107	Y87-G105 WeakPolarHBondContact CD1-O 3.33Å; C88-G105 PolarHBondContact O-N 3.31Å; G105-G107 PolarHBondContact O-N 3.49Å
106	Q	92.2	Very high	79.7	Confident	188 Å²	188	89.3 Å²	89.3	88%	0.879	47%	0.469	S	S	*	.			trans	-61.9	-17.4	178.1	-65.6	-62.4	-46.1	0	0	113.5
107	G	94.1	Very high	81.4	Confident	28 Å²	28	90.9 Å²	90.9	29%	0.289	46%	0.461	S	S	.	.			trans	84.5	150.6	-177.8	0	0	0	0	0	112.6	Y86 G105	Y86-G107 CarbonylContact O-C 3.43Å; Y86-G107 VanDerWaalsContact O-CA 3.23Å; Y86-G107 WeakPolarHBondContact O-CA 3.22Å; G105-G107 PolarHBondContact O-N 3.49Å
108	T	96.8	Very high	83.2	Confident	50 Å²	50	82.8 Å²	82.8	31%	0.307	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.6	175.9	-60.8	0	0	0	0	108.9	L12 Y86 V110	L12-T108 HydrophobicContact CD2-CG2 3.83Å; Y86-T108 PolarHBondContact N-O 3.29Å; Y86-T108 PolarHBondContact O-N 2.87Å; T108-V110 PolarHBondContact O-N 3.38Å
109	S	97.3	Very high	85.5	Confident	45 Å²	45	75.4 Å²	75.4	32%	0.315	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.4	171.5	-179.4	0	0	0	0	110	A1 E2	A1-S109 CarbonylContact C-O 3.51Å; A1-S109 WeakPolarHBondContact CA-O 3.27Å; E2-S109 PolarHBondContact N-O 2.59Å
110	V	97.4	Very high	87.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.9	170	177.7	0	0	0	0	107.2	E2 V4 V10 L12 L78 S83 A84 Y86 T108 V112	E2-V110 HydrophobicContact CB-CG2 4.45Å; E2-V110 CarbonylContact O-C 3.36Å; E2-V110 WeakPolarHBondContact O-CA 3.49Å; V4-V110 HydrophobicContact CG2-CG1 4.18Å; V10-V110 HydrophobicContact CG1-CG1 4.5Å; L12-V110 HydrophobicContact CD1-CG2 4.28Å; L12-V110 HydrophobicContact CD2-CG2 4.02Å; L78-V110 HydrophobicContact CD1-CG1 4.38Å; S83-V110 CarbonylContact C-O 3.52Å; S83-V110 VanDerWaalsContact CA-O 3.27Å; S83-V110 WeakPolarHBondContact CA-O 3.49Å; A84-V110 PolarHBondContact N-O 2.68Å; A84-V110 PolarHBondContact O-N 3.41Å; Y86-V110 HydrophobicContact CD2-CB 3.98Å; Y86-V110 HydrophobicContact CD2-CG2 3.74Å; Y86-V110 HydrophobicContact CE2-CB 3.81Å; Y86-V110 HydrophobicContact CE2-CG2 4.01Å; T108-V110 PolarHBondContact O-N 3.38Å; V110-V112 HydrophobicContact CG1-CG2 4.42Å
111	T	97.4	Very high	89.4	Confident	62 Å²	62	68.9 Å²	68.9	38%	0.38	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.2	178	-59.2	0	0	0	0	109	E2 L3 V4	E2-T111 PolarHBondContact O-N 2.95Å; L3-T111 WeakPolarHBondContact CA-O 3.41Å; L3-T111 HydrophobicContact CD1-CG2 3.75Å; V4-T111 PolarHBondContact N-O 3.49Å
112	V	96.5	Very high	91	Very high	8 Å²	8	69.5 Å²	69.5	5%	0.048	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.7	-179.6	-169.6	0	0	0	0	108.7	V4 P6 L78 T79 D82 S83 V110	V4-V112 HydrophobicContact CG2-CB 4.42Å; V4-V112 HydrophobicContact CG2-CG1 4.48Å; V4-V112 HydrophobicContact CG2-CG2 3.87Å; V4-V112 VanDerWaalsContact O-CA 3.3Å; V4-V112 WeakPolarHBondContact O-CA 3.33Å; P6-V112 HydrophobicContact CB-CG1 4.42Å; P6-V112 HydrophobicContact CG-CG1 4.16Å; L78-V112 HydrophobicContact CB-CG1 4.25Å; L78-V112 HydrophobicContact CB-CG2 3.97Å; L78-V112 HydrophobicContact CD1-CG2 4.21Å; T79-V112 WeakPolarHBondContact O-CB 3.08Å; T79-V112 WeakPolarHBondContact O-CG2 3.41Å; D82-V112 HydrophobicContact CB-CG2 4.3Å; S83-V112 PolarHBondContact OG-N 2.94Å; V110-V112 HydrophobicContact CG1-CG2 4.42Å
113	S	93.8	Very high	92.7	Very high	53 Å²	53	68.2 Å²	68.2	37%	0.371	39%	0.394	S	S	.	.			trans	-140.7	149.5	-179.4	67.8	0	0	0	0	111.8	L3 V4	L3-S113 WeakPolarHBondContact CD1-OG 3.29Å; V4-S113 PolarHBondContact O-N 2.64Å
114	S	85.9	Confident	93.7	Very high	152 Å²	152	65 Å²	65	100%	1.063	39%	0.394	S	S	*	.			trans	-72.8	0	174.2	57.8	0	0	0	0	112.3

Retrieved 114 of 114 residues in 23.3 ms (Link to these results)

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