X5J5M6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5M6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J5M6_MOUSE|X5J5M6
AELVKPGASVKVSCKASGYTFTSYWMHWVKQRPGQGLEWIGRIHPSDSDTNYNQKFKGKATLTVDKSSSTAYMQLSSLTSEDSAVYYCAIGDGYYYWGQGTTLTVSSESQSF
					

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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	76.3	Confident	93	Very high	118 Å²	118	74.1 Å²	74.1	98%	0.975	45%	0.448	S	S	*	.				0	137.5	0	0	0	0	0	0	107.8	T102	A1-T102 CarbonylContact C-O 3.47Å; A1-T102 WeakPolarHBondContact CA-O 3.22Å; A1-T102 HydrophobicContact CB-CG2 4.29Å
2	E	87.3	Confident	93.4	Very high	85 Å²	85	68.3 Å²	68.3	40%	0.397	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.5	-178.1	-166.6	174	170.7	0	0	109.6	V4 V10 T102 L103 T104	E2-V4 HydrophobicContact CG-CG1 3.88Å; E2-V10 HydrophobicContact CG-CG2 4.45Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; E2-T102 PolarHBondContact N-O 3.27Å; E2-L103 HydrophobicContact CB-CD1 4.02Å; E2-L103 HydrophobicContact CG-CD1 4.39Å; E2-L103 WeakPolarHBondContact O-CA 3.5Å; E2-T104 PolarHBondContact O-N 2.97Å
3	L	92.9	Very high	93.6	Very high	85 Å²	85	68.8 Å²	68.8	45%	0.445	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.4	176.2	-179.4	68.3	0	0	0	108.5	T104 Q110	L3-T104 WeakPolarHBondContact CA-O 3.36Å; L3-T104 HydrophobicContact CD1-CG2 3.73Å; L3-Q110 HydrophobicContact CD2-CG 4.19Å
4	V	94.2	Very high	93.7	Very high	18 Å²	18	64.6 Å²	64.6	11%	0.109	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156	-176.4	-58.9	0	0	0	0	111.4	E2 A8 V10 L78 L103 T104 V105 S106	E2-V4 HydrophobicContact CG-CG1 3.88Å; V4-A8 HydrophobicContact CB-CB 4.47Å; V4-V10 HydrophobicContact CG1-CG2 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.58Å; V4-L103 HydrophobicContact CG1-CD1 3.98Å; V4-L103 HydrophobicContact CG2-CD1 3.79Å; V4-L103 HydrophobicContact CG2-CG 4.33Å; V4-T104 PolarHBondContact N-O 2.6Å; V4-V105 HydrophobicContact CG2-CB 4.33Å; V4-V105 HydrophobicContact CG2-CG1 4.38Å; V4-V105 HydrophobicContact CG2-CG2 3.78Å; V4-V105 VanDerWaalsContact O-CA 3.31Å; V4-V105 WeakPolarHBondContact O-CA 3.49Å; V4-S106 PolarHBondContact O-N 3.48Å
5	K	94.1	Very high	93.8	Very high	160 Å²	160	70.6 Å²	70.6	70%	0.696	41%	0.414	S	S	*	.			trans	-82.2	151.4	176.3	-65.6	-176.2	180	-177.9	0	110.9	A8	K5-A8 WeakPolarHBondContact O-CB 3.42Å; K5-A8 PolarHBondContact O-N 3.24Å
6	P	96.4	Very high	93.5	Very high	72 Å²	72	66.9 Å²	66.9	47%	0.468	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	142.7	168.5	-24.9	33.7	0	0	0	112	A8 L78 V105 S106	P6-A8 PolarHBondContact O-N 3.03Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.43Å; P6-V105 HydrophobicContact CB-CG1 4.41Å; P6-V105 HydrophobicContact CG-CG1 4.13Å; P6-S106 WeakPolarHBondContact CD-O 3.35Å
7	G	95.7	Very high	93.1	Very high	52 Å²	52	68.9 Å²	68.9	54%	0.536	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-14.3	-177.3	0	0	0	0	0	114.9	L78	G7-L78 PolarHBondContact N-O 2.96Å
8	A	96.1	Very high	92.5	Very high	36 Å²	36	70.3 Å²	70.3	30%	0.298	44%	0.444	S	S	.	.			trans	-67.3	164.1	176.4	0	0	0	0	0	112.1	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.47Å; K5-A8 WeakPolarHBondContact O-CB 3.42Å; K5-A8 PolarHBondContact O-N 3.24Å; P6-A8 PolarHBondContact O-N 3.03Å; A8-S77 PolarHBondContact O-N 2.89Å; A8-L78 WeakPolarHBondContact O-CB 3.4Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.85Å
9	S	96.8	Very high	91.8	Very high	65 Å²	65	70 Å²	70	46%	0.455	43%	0.434	S	S	.	.			trans	-116.1	141.6	169	-58.2	0	0	0	0	109.5	L75 S76	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 2.98Å; S9-L75 WeakPolarHBondContact CB-O 3Å; S9-S76 WeakPolarHBondContact OG-CA 3.04Å
10	V	96.6	Very high	91.5	Very high	4 Å²	4	70.9 Å²	70.9	2%	0.024	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.9	-179.7	80.8	0	0	0	0	110.8	E2 V4 V12 Q74 L75 L78 L103	E2-V10 HydrophobicContact CG-CG2 4.45Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; V4-V10 HydrophobicContact CG1-CG2 4.46Å; V10-V12 HydrophobicContact CG1-CG2 4.35Å; V10-Q74 CarbonylContact O-C 3.5Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.29Å; V10-L75 HydrophobicContact CG1-CB 4.16Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 3.27Å; V10-L75 PolarHBondContact O-N 2.97Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.9Å; V10-L103 HydrophobicContact CB-CD1 4.37Å; V10-L103 HydrophobicContact CG1-CD1 4.01Å; V10-L103 HydrophobicContact CG1-CD2 3.8Å; V10-L103 HydrophobicContact CG2-CD1 4.18Å
11	K	97.1	Very high	91.3	Very high	120 Å²	120	67.9 Å²	67.9	52%	0.522	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	108.5	177.1	-171	176.2	-178.2	-179.5	0	109.7	Y72	K11-Y72 HydrophobicContact CD-CD1 4.19Å; K11-Y72 HydrophobicContact CD-CG 4.46Å; K11-Y72 HydrophobicContact CG-CD1 4.16Å
12	V	97.1	Very high	92	Very high	5 Å²	5	65 Å²	65	3%	0.03	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.5	175.1	-171.1	0	0	0	0	108.8	V10 W28 Y72 M73 T101	V10-V12 HydrophobicContact CG1-CG2 4.35Å; V12-W28 HydrophobicContact CB-CH2 4.3Å; V12-W28 HydrophobicContact CB-CZ3 4.03Å; V12-W28 HydrophobicContact CG1-CH2 4.1Å; V12-W28 HydrophobicContact CG1-CZ3 3.67Å; V12-Y72 CarbonylContact O-C 3.57Å; V12-Y72 VanDerWaalsContact O-CA 3.23Å; V12-Y72 WeakPolarHBondContact O-CA 3.14Å; V12-M73 HydrophobicContact CB-CE 4.34Å; V12-M73 HydrophobicContact CG2-CE 4.17Å; V12-M73 PolarHBondContact N-O 2.8Å; V12-M73 PolarHBondContact O-N 2.85Å; V12-T101 HydrophobicContact CG1-CG2 4.4Å
13	S	96.6	Very high	92.2	Very high	74 Å²	74	63.9 Å²	63.9	52%	0.517	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	150.3	178.6	64.7	0	0	0	0	111.7	A71 Y72	S13-A71 CarbonylContact C-O 3.38Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.45Å
14	C	95.2	Very high	92	Very high	11 Å²	11	65 Å²	65	7%	0.074	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	107.9	172.7	-179.8	0	0	0	0	109	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; C14-T70 WeakPolarHBondContact O-CA 3.48Å; C14-A71 PolarHBondContact N-O 3.38Å; C14-A71 PolarHBondContact O-N 3.16Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.25Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.45Å
15	K	94.1	Very high	92	Very high	154 Å²	154	66 Å²	66	67%	0.67	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.3	179.7	-174.3	172.9	-177.2	179	0	110	T70	K15-T70 HydrophobicContact CB-CG2 4.48Å
16	A	88.9	Confident	92	Very high	12 Å²	12	58.5 Å²	58.5	10%	0.099	36%	0.36	C	S	.	.			trans	-72.8	142.6	174.8	0	0	0	0	0	111.5	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.85Å; A16-Y19 HydrophobicContact CB-CE2 4.14Å; A16-Y19 VanDerWaalsContact CB-CZ 3.46Å; A16-Y19 WeakPolarHBondContact CB-OH 3.18Å; A16-F21 HydrophobicContact CB-CB 3.92Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.25Å; A16-F21 HydrophobicContact CB-CG 3.97Å; A16-S69 WeakPolarHBondContact CB-O 3.4Å; A16-S69 PolarHBondContact N-O 2.65Å
17	S	86.9	Confident	92	Very high	101 Å²	101	55.4 Å²	55.4	71%	0.706	34%	0.339	S	S	*	.			trans	-146.4	144.2	170.6	60.3	0	0	0	0	110.1	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.36Å; S17-Y19 PolarHBondContact O-N 2.92Å
18	G	82.3	Confident	92.1	Very high	94 Å²	94	53 Å²	53	97%	0.969	31%	0.314	S	S	*	.	S	Bend	trans	80.4	5.8	175	0	0	0	0	0	116.4
19	Y	79.3	Confident	92.1	Very high	64 Å²	64	51.5 Å²	51.5	25%	0.251	30%	0.301	S	S	.	.	S	Bend	trans	-153.4	167.2	175.4	66.8	-83.9	0	0	0	111.7	A16 S17 F21 Y24 I90	A16-Y19 HydrophobicContact CB-CE1 3.85Å; A16-Y19 HydrophobicContact CB-CE2 4.14Å; A16-Y19 VanDerWaalsContact CB-CZ 3.46Å; A16-Y19 WeakPolarHBondContact CB-OH 3.18Å; S17-Y19 WeakPolarHBondContact O-CD1 3.36Å; S17-Y19 PolarHBondContact O-N 2.92Å; Y19-F21 PolarHBondContact O-N 2.82Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; Y19-Y24 AromaticContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CD2-CE2 4.47Å; Y19-Y24 HydrophobicContact CE2-CD2 4.44Å; Y19-I90 HydrophobicContact CE1-CD1 3.58Å; Y19-I90 HydrophobicContact CE1-CG1 4.48Å; Y19-I90 HydrophobicContact CE2-CD1 4.45Å; Y19-I90 HydrophobicContact CE2-CG2 3.9Å; Y19-I90 VanDerWaalsContact CZ-CD1 3.42Å; Y19-I90 WeakPolarHBondContact OH-CD1 3.34Å; Y19-I90 VanDerWaalsContact OH-CG1 3.27Å; Y19-I90 WeakPolarHBondContact OH-CG1 3.42Å
20	T	87.1	Confident	92.2	Very high	87 Å²	87	48.5 Å²	48.5	53%	0.534	28%	0.28	S	S	.	.			trans	-71.8	104.6	173.7	-55.4	0	0	0	0	109.9	T22 S23	T20-T22 PolarHBondContact O-N 3.45Å; T20-S23 WeakPolarHBondContact CB-OG 3.4Å; T20-S23 WeakPolarHBondContact CG2-OG 3.36Å; T20-S23 WeakPolarHBondContact O-CB 3.34Å; T20-S23 PolarHBondContact O-N 2.81Å
21	F	86.9	Confident	92.2	Very high	9 Å²	9	51.5 Å²	51.5	4%	0.039	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-51.2	-34.1	-175.6	177.2	-126.8	0	0	0	114	A16 Y19 S23 M26 P45 V64 S69 T70 A71	A16-F21 HydrophobicContact CB-CB 3.92Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.25Å; A16-F21 HydrophobicContact CB-CG 3.97Å; Y19-F21 PolarHBondContact O-N 2.82Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; F21-S23 VanDerWaalsContact C-N 3.32Å; F21-S23 PolarHBondContact O-N 2.84Å; F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; F21-P45 HydrophobicContact CD1-CB 3.86Å; F21-P45 HydrophobicContact CD2-CB 4.32Å; F21-P45 HydrophobicContact CD2-CG 4.11Å; F21-P45 HydrophobicContact CE1-CB 3.57Å; F21-P45 HydrophobicContact CE1-CG 4.19Å; F21-P45 HydrophobicContact CE2-CB 4.07Å; F21-P45 HydrophobicContact CE2-CG 3.75Å; F21-P45 HydrophobicContact CG-CB 4.25Å; F21-P45 HydrophobicContact CZ-CB 3.69Å; F21-P45 HydrophobicContact CZ-CG 3.8Å; F21-P45 WeakPolarHBondContact O-CG 3.5Å; F21-V64 HydrophobicContact CE1-CB 4.37Å; F21-V64 HydrophobicContact CE1-CG1 4.49Å; F21-V64 HydrophobicContact CZ-CB 4.33Å; F21-V64 HydrophobicContact CZ-CG1 4.04Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; F21-T70 VanDerWaalsContact CZ-C 3.5Å; F21-A71 HydrophobicContact CE2-CB 4.19Å; F21-A71 HydrophobicContact CZ-CB 4.05Å
22	T	91.3	Very high	92.1	Very high	56 Å²	56	48.3 Å²	48.3	34%	0.344	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-83.2	-0.4	-176.7	55.6	0	0	0	0	114.9	T20 H44	T20-T22 PolarHBondContact O-N 3.45Å; T22-H44 PolarHBondContact O-CE1 3.17Å
23	S	90	Very high	91.8	Very high	62 Å²	62	53.7 Å²	53.7	43%	0.434	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-91.6	-13.8	-174.3	-64.8	0	0	0	0	114.7	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.4Å; T20-S23 WeakPolarHBondContact CG2-OG 3.36Å; T20-S23 WeakPolarHBondContact O-CB 3.34Å; T20-S23 PolarHBondContact O-N 2.81Å; F21-S23 VanDerWaalsContact C-N 3.32Å; F21-S23 PolarHBondContact O-N 2.84Å
24	Y	89.3	Confident	91.6	Very high	108 Å²	108	54.7 Å²	54.7	42%	0.424	34%	0.335	S	S	.	.	S	Bend	trans	-138.9	150.6	-171.3	-60.5	-73.6	0	0	0	111.9	Y19 M26 P45 I90	Y19-Y24 AromaticContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CD2-CD2 3.98Å; Y19-Y24 HydrophobicContact CD2-CE2 4.47Å; Y19-Y24 HydrophobicContact CE2-CD2 4.44Å; Y24-M26 PolarHBondContact O-N 2.94Å; Y24-P45 WeakPolarHBondContact O-CD 3.33Å; Y24-I90 HydrophobicContact CD2-CG2 4.25Å; Y24-I90 HydrophobicContact CG-CG2 4.09Å
25	W	93.5	Very high	91.5	Very high	41 Å²	41	58.8 Å²	58.8	16%	0.155	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-61.6	133.9	168.2	-71	93.6	0	0	0	111.2	H27 R42 H44 D49 G91	W25-H27 WeakPolarHBondContact CB-NE2 3.41Å; W25-R42 HydrophobicContact CD2-CG 4.17Å; W25-R42 HydrophobicContact CE3-CB 3.92Å; W25-R42 HydrophobicContact CE3-CG 3.39Å; W25-R42 HydrophobicContact CZ3-CG 3.74Å; W25-H44 AromaticContact CD1-CD2 3.68Å; W25-H44 HydrophobicContact CD2-CB 3.75Å; W25-H44 AromaticContact CD2-CD2 3.7Å; W25-H44 AromaticContact CE2-CD2 3.58Å; W25-H44 AromaticContact CE2-CG 3.99Å; W25-H44 HydrophobicContact CE3-CB 3.59Å; W25-H44 AromaticContact CG-CD2 3.77Å; W25-H44 HydrophobicContact CH2-CB 3.63Å; W25-H44 HydrophobicContact CZ2-CB 3.75Å; W25-H44 HydrophobicContact CZ3-CB 3.55Å; W25-H44 VanDerWaalsContact CZ3-N 3.27Å; W25-H44 AromaticContact NE1-CD2 3.52Å; W25-D49 HydrophobicContact CH2-CB 3.88Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.08Å; W25-D49 VanDerWaalsContact CZ3-O 3.28Å; W25-D49 WeakPolarHBondContact CZ3-O 3.44Å; W25-G91 PolarHBondContact O-N 3.04Å
26	M	94.8	Very high	91.5	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.6	167.3	-175.9	70.1	70.9	0	0	108.7	F21 Y24 R42 I43 A71 C88 I90	F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; Y24-M26 PolarHBondContact O-N 2.94Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.5Å; M26-R42 WeakPolarHBondContact O-CB 3.46Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 3.07Å; M26-I43 PolarHBondContact O-N 2.94Å; M26-A71 HydrophobicContact CB-CB 4.23Å; M26-A71 HydrophobicContact CE-CB 4.19Å; M26-A71 HydrophobicContact CG-CB 3.69Å; M26-C88 HydrophobicContact SD-CB 3.76Å; M26-I90 HydrophobicContact CE-CD1 4.11Å; M26-I90 HydrophobicContact CE-CG1 3.67Å; M26-I90 HydrophobicContact SD-CD1 4.33Å; M26-I90 HydrophobicContact SD-CG1 3.58Å; M26-I90 VanDerWaalsContact SD-CG1 3.58Å
27	H	96.2	Very high	91.8	Very high	7 Å²	7	58 Å²	58	3%	0.032	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	147.3	178.1	-64.6	-113.6	0	0	0	110.9	W25 W39 G41 C88 A89 Y94	W25-H27 WeakPolarHBondContact CB-NE2 3.41Å; H27-W39 AromaticContact CG-NE1 3.91Å; H27-W39 AromaticContact ND1-CD1 4Å; H27-W39 AromaticContact ND1-NE1 3.2Å; H27-W39 PolarHBondContact ND1-NE1 2.94Å; H27-G41 WeakPolarHBondContact CA-O 3.41Å; H27-C88 CarbonylContact O-C 3.4Å; H27-C88 WeakPolarHBondContact O-CA 3.41Å; H27-A89 PolarHBondContact N-O 3.44Å; H27-A89 PolarHBondContact O-N 2.9Å; H27-Y94 HydrophobicContact CB-CD1 4Å; H27-Y94 HydrophobicContact CB-CE1 3.48Å; H27-Y94 VanDerWaalsContact CB-CE1 3.48Å; H27-Y94 AromaticContact CG-CE1 3.49Å; H27-Y94 VanDerWaalsContact CG-CE1 3.49Å; H27-Y94 AromaticContact ND1-CE1 3.41Å; H27-Y94 WeakPolarHBondContact ND1-CE1 3.48Å; H27-Y94 AromaticContact ND1-CZ 3.53Å; H27-Y94 PolarHBondContact ND1-OH 2.74Å
28	W	97.6	Very high	92.2	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.008	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.1	173.9	-68.8	92.1	0	0	0	110.3	V12 C14 I40 G41 L62 A71 M73 Y87 C88	V12-W28 HydrophobicContact CB-CH2 4.3Å; V12-W28 HydrophobicContact CB-CZ3 4.03Å; V12-W28 HydrophobicContact CG1-CH2 4.1Å; V12-W28 HydrophobicContact CG1-CZ3 3.67Å; C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.09Å; W28-G41 PolarHBondContact N-O 3.4Å; W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 4Å; W28-A71 HydrophobicContact CZ2-CB 4.26Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.42Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.12Å; W28-M73 HydrophobicContact CE3-CB 3.82Å; W28-M73 HydrophobicContact CE3-CE 3.8Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.08Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.04Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; W28-Y87 WeakPolarHBondContact CA-O 3.34Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å
29	V	97.2	Very high	92.9	Very high	4 Å²	4	53 Å²	53	2%	0.024	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.5	-172.6	-176.5	0	0	0	0	109.7	L37 E38 Y86 Y87 Y94 W97	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; V29-Y87 PolarHBondContact N-O 2.93Å; V29-Y87 PolarHBondContact O-N 3.24Å; V29-Y94 HydrophobicContact CG2-CE1 4.31Å; V29-W97 HydrophobicContact CB-CH2 4.24Å; V29-W97 HydrophobicContact CB-CZ3 3.98Å; V29-W97 HydrophobicContact CG1-CH2 4.18Å; V29-W97 HydrophobicContact CG1-CZ3 4.15Å; V29-W97 HydrophobicContact CG2-CH2 3.87Å; V29-W97 HydrophobicContact CG2-CZ3 3.99Å
30	K	97.3	Very high	93.8	Very high	1 Å²	1	50 Å²	50	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.4	173.8	-177.1	177.7	-178.5	175.9	0	109.6	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.15Å; K30-E38 HydrophobicContact CB-CB 4.4Å; K30-E38 PolarHBondContact N-O 2.93Å; K30-E38 PolarHBondContact O-N 2.88Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CB-CZ 4.45Å; K30-F56 HydrophobicContact CD-CE1 3.96Å; K30-F56 HydrophobicContact CD-CZ 4Å; K30-E81 WeakPolarHBondContact CE-O 3.41Å; K30-E81 PolarHBondContact NZ-O 2.81Å; K30-D82 IonicContact NZ-OD1 3.84Å; K30-D82 PolarHBondContact NZ-OD1 2.8Å; K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.58Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.9Å; K30-Y86 WeakPolarHBondContact CE-OH 3.34Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å
31	Q	97.3	Very high	94.2	Very high	67 Å²	67	45.9 Å²	45.9	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	115.4	170.2	-169.4	-177.9	33.1	0	0	109.9	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.92Å; Q31-A84 WeakPolarHBondContact O-CA 3.04Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; Q31-V85 PolarHBondContact N-O 3.2Å; Q31-V85 PolarHBondContact O-N 2.94Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 PolarHBondContact OE1-OH 3.36Å
32	R	95.1	Very high	94.7	Very high	53 Å²	53	49 Å²	49	20%	0.2	28%	0.28	C	S	.	.			trans	-85	150.4	170	-61.2	-165.5	-168.6	84.8	1.4	110.3	K30 G34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.15Å; R32-G34 PolarHBondContact O-N 3.26Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.04Å; R32-Q35 PolarHBondContact O-N 2.94Å; R32-E38 IonicContact CZ-OE1 3.5Å; R32-E38 IonicContact NH1-OE1 2.65Å; R32-E38 PolarHBondContact NH1-OE1 3.06Å; R32-E38 IonicContact NH2-OE1 2.67Å; R32-E81 PolarHBondContact NE-O 3.16Å; R32-A84 HydrophobicContact CG-CB 4.27Å
33	P	90.8	Very high	95	Very high	119 Å²	119	46.5 Å²	46.5	77%	0.773	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	127.9	172.7	-25.4	34.6	0	0	0	111.4	Q35	P33-Q35 PolarHBondContact O-N 3.09Å
34	G	92.3	Very high	95.2	Very high	94 Å²	94	44.8 Å²	44.8	97%	0.969	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	5.1	-179.9	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 3.26Å
35	Q	93.3	Very high	95.5	Very high	97 Å²	97	39.7 Å²	39.7	45%	0.453	23%	0.229	S	C	.	.	S	Bend	trans	-114	162	176.6	-58.7	-173.7	1.5	0	0	111.7	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.04Å; R32-Q35 PolarHBondContact O-N 2.94Å; P33-Q35 PolarHBondContact O-N 3.09Å
36	G	93.6	Very high	95.6	Very high	56 Å²	56	40 Å²	40	58%	0.577	24%	0.238	S	C	*	.			trans	-68.1	172.9	173.5	0	0	0	0	0	113.4
37	L	95.2	Very high	95.6	Very high	94 Å²	94	44.9 Å²	44.9	49%	0.492	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.7	173.9	-63.5	175.5	0	0	0	110.4	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.92Å; L37-W97 HydrophobicContact CD1-CH2 3.83Å; L37-W97 HydrophobicContact CD1-CZ2 4.4Å; L37-W97 HydrophobicContact CD1-CZ3 4.43Å
38	E	96.4	Very high	95.6	Very high	32 Å²	32	47.3 Å²	47.3	15%	0.15	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.4	173.3	-70.1	-167.8	-86	0	0	110.1	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; K30-E38 HydrophobicContact CB-CB 4.4Å; K30-E38 PolarHBondContact N-O 2.93Å; K30-E38 PolarHBondContact O-N 2.88Å; R32-E38 IonicContact CZ-OE1 3.5Å; R32-E38 IonicContact NH1-OE1 2.65Å; R32-E38 PolarHBondContact NH1-OE1 3.06Å; R32-E38 IonicContact NH2-OE1 2.67Å; E38-I40 PolarHBondContact O-N 2.92Å; E38-K55 IonicContact OE2-NZ 2.97Å; E38-K55 PolarHBondContact OE2-NZ 3.25Å; E38-F56 HydrophobicContact CB-CE2 4.43Å; E38-F56 HydrophobicContact CB-CZ 4.42Å
39	W	96.5	Very high	95.6	Very high	59 Å²	59	51.5 Å²	51.5	22%	0.223	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.2	175.1	-177.7	70.9	0	0	0	110.9	H27 G41 R42 N51 N53	H27-W39 AromaticContact CG-NE1 3.91Å; H27-W39 AromaticContact ND1-CD1 4Å; H27-W39 AromaticContact ND1-NE1 3.2Å; H27-W39 PolarHBondContact ND1-NE1 2.94Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 PolarHBondContact NE1-O 3.33Å; W39-G41 VanDerWaalsContact NE1-O 3.09Å; W39-R42 HydrophobicContact CZ2-CB 3.96Å; W39-R42 HydrophobicContact CZ2-CG 3.82Å; W39-N51 HydrophobicContact CH2-CB 4.41Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.29Å; W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.05Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 2.67Å
40	I	97.8	Very high	95.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-49	-177.1	-60.4	174.7	0	0	0	110.2	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.09Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 2.92Å; I40-N53 WeakPolarHBondContact O-CB 3.41Å; I40-N53 PolarHBondContact O-N 2.89Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.08Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; I40-A60 HydrophobicContact CG2-CB 3.75Å; I40-M73 HydrophobicContact CD1-CE 4.07Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 4Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.91Å
41	G	97.1	Very high	95.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	179.7	-172.1	0	0	0	0	0	111.9	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.41Å; W28-G41 PolarHBondContact N-O 3.4Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 PolarHBondContact NE1-O 3.33Å; W39-G41 VanDerWaalsContact NE1-O 3.09Å; G41-N51 CarbonylContact C-O 3.48Å; G41-N51 WeakPolarHBondContact CA-O 3.2Å
42	R	96.6	Very high	95.6	Very high	76 Å²	76	56.7 Å²	56.7	29%	0.287	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154	173.6	66.9	-177.6	-175.7	-176.1	-3.1	111.3	W25 M26 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.17Å; W25-R42 HydrophobicContact CE3-CB 3.92Å; W25-R42 HydrophobicContact CE3-CG 3.39Å; W25-R42 HydrophobicContact CZ3-CG 3.74Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.5Å; M26-R42 WeakPolarHBondContact O-CB 3.46Å; W39-R42 HydrophobicContact CZ2-CB 3.96Å; W39-R42 HydrophobicContact CZ2-CG 3.82Å; R42-T50 WeakPolarHBondContact O-CA 3.5Å; R42-N51 HydrophobicContact CG-CB 4.12Å; R42-N51 PolarHBondContact N-O 2.82Å; R42-N51 PolarHBondContact O-N 2.89Å
43	I	96.9	Very high	95.7	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.3	173.5	-176.4	158.8	0	0	0	109.5	M26 P45 D49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 3.07Å; M26-I43 PolarHBondContact O-N 2.94Å; I43-P45 WeakPolarHBondContact O-CD 3.03Å; I43-D49 CarbonylContact C-O 3.55Å; I43-D49 VanDerWaalsContact CA-O 3.28Å; I43-D49 WeakPolarHBondContact CA-O 3.23Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.73Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; I43-L62 HydrophobicContact CB-CB 4.02Å; I43-L62 HydrophobicContact CB-CD1 4.28Å; I43-L62 HydrophobicContact CD1-CB 4.13Å; I43-L62 HydrophobicContact CG2-CB 4.24Å; I43-V64 HydrophobicContact CD1-CG1 3.81Å; I43-V64 HydrophobicContact CD1-CG2 4.31Å; I43-V64 HydrophobicContact CG1-CG1 3.94Å; I43-V64 HydrophobicContact CG2-CG1 3.94Å
44	H	95.6	Very high	96	Very high	27 Å²	27	57.8 Å²	57.8	13%	0.125	33%	0.331	C	S	.	.			trans	-91.2	116.3	174	-163.5	-91.5	0	0	0	109.2	T22 W25 S46 D47 S48 D49	T22-H44 PolarHBondContact O-CE1 3.17Å; W25-H44 AromaticContact CD1-CD2 3.68Å; W25-H44 HydrophobicContact CD2-CB 3.75Å; W25-H44 AromaticContact CD2-CD2 3.7Å; W25-H44 AromaticContact CE2-CD2 3.58Å; W25-H44 AromaticContact CE2-CG 3.99Å; W25-H44 HydrophobicContact CE3-CB 3.59Å; W25-H44 AromaticContact CG-CD2 3.77Å; W25-H44 HydrophobicContact CH2-CB 3.63Å; W25-H44 HydrophobicContact CZ2-CB 3.75Å; W25-H44 HydrophobicContact CZ3-CB 3.55Å; W25-H44 VanDerWaalsContact CZ3-N 3.27Å; W25-H44 AromaticContact NE1-CD2 3.52Å; H44-S46 PolarHBondContact CE1-OG 2.89Å; H44-S46 PolarHBondContact ND1-N 2.88Å; H44-S46 PolarHBondContact ND1-OG 3.01Å; H44-S46 PolarHBondContact O-N 2.66Å; H44-S46 VanDerWaalsContact O-N 3.17Å; H44-D47 WeakPolarHBondContact CB-OD1 3.42Å; H44-D47 IonicContact CG-OD1 3.77Å; H44-D47 IonicContact ND1-OD1 3.24Å; H44-S48 VanDerWaalsContact O-CA 3.22Å; H44-S48 WeakPolarHBondContact O-CA 3.46Å; H44-S48 PolarHBondContact O-N 3.02Å; H44-D49 PolarHBondContact N-O 2.89Å
45	P	94.8	Very high	96.1	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.4	-171.2	-21.1	35	0	0	0	115	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.86Å; F21-P45 HydrophobicContact CD2-CB 4.32Å; F21-P45 HydrophobicContact CD2-CG 4.11Å; F21-P45 HydrophobicContact CE1-CB 3.57Å; F21-P45 HydrophobicContact CE1-CG 4.19Å; F21-P45 HydrophobicContact CE2-CB 4.07Å; F21-P45 HydrophobicContact CE2-CG 3.75Å; F21-P45 HydrophobicContact CG-CB 4.25Å; F21-P45 HydrophobicContact CZ-CB 3.69Å; F21-P45 HydrophobicContact CZ-CG 3.8Å; F21-P45 WeakPolarHBondContact O-CG 3.5Å; Y24-P45 WeakPolarHBondContact O-CD 3.33Å; I43-P45 WeakPolarHBondContact O-CD 3.03Å; P45-V64 HydrophobicContact CB-CG1 4.04Å; P45-V64 HydrophobicContact CG-CG1 4.24Å; P45-K66 WeakPolarHBondContact O-CE 3.1Å
46	S	94.9	Very high	96.3	Very high	48 Å²	48	56.3 Å²	56.3	34%	0.336	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-42.3	177.7	74	0	0	0	0	113.1	H44 K66	H44-S46 PolarHBondContact CE1-OG 2.89Å; H44-S46 PolarHBondContact ND1-N 2.88Å; H44-S46 PolarHBondContact ND1-OG 3.01Å; H44-S46 PolarHBondContact O-N 2.66Å; H44-S46 VanDerWaalsContact O-N 3.17Å; S46-K66 WeakPolarHBondContact O-CE 3.49Å; S46-K66 PolarHBondContact O-NZ 2.92Å
47	D	96.1	Very high	96.3	Very high	103 Å²	103	60.5 Å²	60.5	55%	0.551	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-3.3	-171	54.2	15.9	0	0	0	112.6	H44 D49	H44-D47 WeakPolarHBondContact CB-OD1 3.42Å; H44-D47 IonicContact CG-OD1 3.77Å; H44-D47 IonicContact ND1-OD1 3.24Å; D47-D49 PolarHBondContact O-N 2.84Å; D47-D49 WeakPolarHBondContact OD1-CB 3.27Å; D47-D49 PolarHBondContact OD1-N 3.43Å
48	S	96.4	Very high	96.2	Very high	59 Å²	59	59.5 Å²	59.5	41%	0.413	31%	0.311	S	S	.	.			trans	62.3	22.3	-176.6	-45.1	0	0	0	0	113.5	H44 V64	H44-S48 VanDerWaalsContact O-CA 3.22Å; H44-S48 WeakPolarHBondContact O-CA 3.46Å; H44-S48 PolarHBondContact O-N 3.02Å; S48-V64 WeakPolarHBondContact OG-CG2 3.27Å
49	D	97.1	Very high	96.2	Very high	89 Å²	89	59.9 Å²	59.9	48%	0.476	31%	0.312	S	S	.	.			trans	-62.3	141.7	171.6	-173	26.2	0	0	0	109.9	W25 I43 H44 D47	W25-D49 HydrophobicContact CH2-CB 3.88Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.08Å; W25-D49 VanDerWaalsContact CZ3-O 3.28Å; W25-D49 WeakPolarHBondContact CZ3-O 3.44Å; I43-D49 CarbonylContact C-O 3.55Å; I43-D49 VanDerWaalsContact CA-O 3.28Å; I43-D49 WeakPolarHBondContact CA-O 3.23Å; H44-D49 PolarHBondContact N-O 2.89Å; D47-D49 PolarHBondContact O-N 2.84Å; D47-D49 WeakPolarHBondContact OD1-CB 3.27Å; D47-D49 PolarHBondContact OD1-N 3.43Å
50	T	97.6	Very high	96.3	Very high	50 Å²	50	57.3 Å²	57.3	31%	0.307	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.3	-174.4	55.9	0	0	0	0	112.1	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.5Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.73Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; T50-Y52 HydrophobicContact CG2-CE2 4.41Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.42Å; T50-L62 HydrophobicContact CG2-CB 4.23Å
51	N	96.8	Very high	96.3	Very high	80 Å²	80	60.2 Å²	60.2	43%	0.428	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.4	170	-170.6	-114.1	0	0	0	109.8	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.41Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.29Å; G41-N51 CarbonylContact C-O 3.48Å; G41-N51 WeakPolarHBondContact CA-O 3.2Å; R42-N51 HydrophobicContact CG-CB 4.12Å; R42-N51 PolarHBondContact N-O 2.82Å; R42-N51 PolarHBondContact O-N 2.89Å
52	Y	97.9	Very high	96.4	Very high	52 Å²	52	60.7 Å²	60.7	20%	0.204	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.6	-173.4	-67	-92.3	0	0	0	110.8	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.41Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.42Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.12Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.09Å
53	N	97.1	Very high	96.4	Very high	45 Å²	45	59.9 Å²	59.9	24%	0.241	33%	0.327	C	S	.	.			trans	-69.3	134.8	157.4	-179.2	-26.6	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.05Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 2.67Å; I40-N53 WeakPolarHBondContact O-CB 3.41Å; I40-N53 PolarHBondContact O-N 2.89Å; N53-K55 PolarHBondContact O-N 3.21Å; N53-K55 VanDerWaalsContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 3.46Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 3.34Å; N53-K57 PolarHBondContact O-N 2.88Å
54	Q	96.1	Very high	96.5	Very high	150 Å²	150	61.2 Å²	61.2	70%	0.701	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-52.4	-35.6	-177.9	-152.9	78.3	-9	0	0	112.8	F56 K57	Q54-F56 PolarHBondContact O-N 3.24Å; Q54-K57 PolarHBondContact O-N 2.91Å
55	K	94.6	Very high	96.5	Very high	150 Å²	150	62.5 Å²	62.5	65%	0.652	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-60.9	-29.3	178.4	-65.9	-171.9	-172.3	-179.6	0	113.9	E38 N53	E38-K55 IonicContact OE2-NZ 2.97Å; E38-K55 PolarHBondContact OE2-NZ 3.25Å; N53-K55 PolarHBondContact O-N 3.21Å; N53-K55 VanDerWaalsContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 3.46Å
56	F	96.3	Very high	96.5	Very high	10 Å²	10	67.6 Å²	67.6	4%	0.044	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-106.3	-2.3	-174.6	-63.9	-84.4	0	0	0	112.7	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.45Å; K30-F56 HydrophobicContact CD-CE1 3.96Å; K30-F56 HydrophobicContact CD-CZ 4Å; E38-F56 HydrophobicContact CB-CE2 4.43Å; E38-F56 HydrophobicContact CB-CZ 4.42Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.08Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 3.34Å; Q54-F56 PolarHBondContact O-N 3.24Å; F56-G58 PolarHBondContact O-N 2.96Å; F56-K59 WeakPolarHBondContact O-CB 3.22Å; F56-K59 PolarHBondContact O-N 2.98Å; F56-A60 HydrophobicContact CB-CB 4.43Å; F56-A60 PolarHBondContact O-N 3.29Å
57	K	94.1	Very high	96.4	Very high	143 Å²	143	70.7 Å²	70.7	62%	0.622	39%	0.387	S	S	*	.	B	Isolated β-bridge	trans	-62.7	122	175.6	-165.3	172.9	-175.3	176.9	0	109.2	N53 Q54 K59	N53-K57 PolarHBondContact O-N 2.88Å; Q54-K57 PolarHBondContact O-N 2.91Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 2.71Å
58	G	93.5	Very high	96.3	Very high	73 Å²	73	67.5 Å²	67.5	75%	0.753	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-18	-174.1	0	0	0	0	0	114.7	F56	F56-G58 PolarHBondContact O-N 2.96Å
59	K	96.4	Very high	96.3	Very high	41 Å²	41	66.8 Å²	66.8	18%	0.178	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-42.8	172.5	-172.7	71.4	178.7	-165	0	111.9	F56 K57 L75 S76 S77 D82	F56-K59 WeakPolarHBondContact O-CB 3.22Å; F56-K59 PolarHBondContact O-N 2.98Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 2.71Å; K59-L75 WeakPolarHBondContact O-CA 3Å; K59-S76 VanDerWaalsContact CD-O 3.23Å; K59-S76 WeakPolarHBondContact CD-O 3.49Å; K59-S76 WeakPolarHBondContact CE-O 3.11Å; K59-S76 PolarHBondContact NZ-O 2.84Å; K59-S76 VanDerWaalsContact NZ-O 3.09Å; K59-S76 PolarHBondContact O-N 3.09Å; K59-S77 PolarHBondContact NZ-O 2.99Å; K59-D82 WeakPolarHBondContact CE-OD2 3.23Å; K59-D82 IonicContact NZ-OD2 3.61Å; K59-D82 PolarHBondContact NZ-OD2 2.89Å
60	A	98.1	Very high	96.2	Very high	4 Å²	4	63 Å²	63	3%	0.033	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.3	-177.7	0	0	0	0	0	111.2	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.75Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.12Å; F56-A60 HydrophobicContact CB-CB 4.43Å; F56-A60 PolarHBondContact O-N 3.29Å; A60-M73 HydrophobicContact CB-CG 4.28Å; A60-M73 HydrophobicContact CB-SD 4.44Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.4Å; A60-L75 HydrophobicContact CB-CD2 3.99Å
61	T	98.4	Very high	96.2	Very high	62 Å²	62	60.6 Å²	60.6	38%	0.38	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.7	169.4	-58.6	0	0	0	0	108.9	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.33Å; T61-M73 WeakPolarHBondContact O-CA 3.27Å; T61-Q74 PolarHBondContact N-O 2.78Å; T61-Q74 PolarHBondContact O-N 2.91Å
62	L	98.4	Very high	96.2	Very high	9 Å²	9	59.1 Å²	59.1	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.5	178.6	-52.3	-176	0	0	0	110.5	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 4Å; I43-L62 HydrophobicContact CB-CB 4.02Å; I43-L62 HydrophobicContact CB-CD1 4.28Å; I43-L62 HydrophobicContact CD1-CB 4.13Å; I43-L62 HydrophobicContact CG2-CB 4.24Å; T50-L62 HydrophobicContact CG2-CB 4.23Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.09Å; L62-Y72 WeakPolarHBondContact CA-O 2.94Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.38Å
63	T	98.3	Very high	96.3	Very high	59 Å²	59	56.6 Å²	56.6	36%	0.362	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.2	177	56.4	0	0	0	0	110.7	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.33Å; T63-Y72 PolarHBondContact N-O 2.77Å; T63-Y72 PolarHBondContact O-N 3.2Å
64	V	97.4	Very high	96.3	Very high	30 Å²	30	58.4 Å²	58.4	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.2	176.1	-69.7	0	0	0	0	110.7	F21 I43 P45 S48 A71	F21-V64 HydrophobicContact CE1-CB 4.37Å; F21-V64 HydrophobicContact CE1-CG1 4.49Å; F21-V64 HydrophobicContact CZ-CB 4.33Å; F21-V64 HydrophobicContact CZ-CG1 4.04Å; I43-V64 HydrophobicContact CD1-CG1 3.81Å; I43-V64 HydrophobicContact CD1-CG2 4.31Å; I43-V64 HydrophobicContact CG1-CG1 3.94Å; I43-V64 HydrophobicContact CG2-CG1 3.94Å; P45-V64 HydrophobicContact CB-CG1 4.04Å; P45-V64 HydrophobicContact CG-CG1 4.24Å; S48-V64 WeakPolarHBondContact OG-CG2 3.27Å; V64-A71 HydrophobicContact CG1-CB 4.14Å
65	D	96.4	Very high	96.4	Very high	55 Å²	55	51.2 Å²	51.2	29%	0.294	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	107	165	174.9	8	0	0	0	108.2	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.36Å; D65-S67 WeakPolarHBondContact OD1-CB 3.35Å; D65-S67 PolarHBondContact OD1-N 3.41Å; D65-S67 PolarHBondContact OD1-OG 3.35Å; D65-S67 PolarHBondContact OD2-OG 3.49Å; D65-S68 WeakPolarHBondContact CB-OG 3.32Å; D65-S68 PolarHBondContact OD1-N 3.03Å; D65-S68 WeakPolarHBondContact OD2-CB 3.3Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; D65-S69 PolarHBondContact O-N 2.91Å; D65-S69 VanDerWaalsContact O-N 3.1Å; D65-T70 PolarHBondContact N-O 3.48Å; D65-T70 PolarHBondContact O-N 2.89Å; D65-Y72 HydrophobicContact CB-CE2 3.84Å
66	K	94	Very high	96.5	Very high	108 Å²	108	45.4 Å²	45.4	47%	0.47	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-31	-178.7	-58.2	-178.9	-170.1	-176.7	0	111.9	P45 S46 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.1Å; S46-K66 WeakPolarHBondContact O-CE 3.49Å; S46-K66 PolarHBondContact O-NZ 2.92Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 3.1Å; K66-S69 PolarHBondContact O-N 2.84Å
67	S	93.3	Very high	96.5	Very high	113 Å²	113	48.8 Å²	48.8	79%	0.79	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-37.9	-176.7	73	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.36Å; D65-S67 WeakPolarHBondContact OD1-CB 3.35Å; D65-S67 PolarHBondContact OD1-N 3.41Å; D65-S67 PolarHBondContact OD1-OG 3.35Å; D65-S67 PolarHBondContact OD2-OG 3.49Å
68	S	95.1	Very high	96.6	Very high	35 Å²	35	42 Å²	42	25%	0.245	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	1.3	176.8	65.2	0	0	0	0	113.6	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.32Å; D65-S68 PolarHBondContact OD1-N 3.03Å; D65-S68 WeakPolarHBondContact OD2-CB 3.3Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 3.1Å; S68-T70 PolarHBondContact O-N 2.88Å; S68-T70 PolarHBondContact O-OG1 2.81Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 2.79Å
69	S	94.6	Very high	96.7	Very high	44 Å²	44	41.4 Å²	41.4	31%	0.308	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	43.8	-173.4	-62.6	0	0	0	0	112.9	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.4Å; A16-S69 PolarHBondContact N-O 2.65Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; D65-S69 PolarHBondContact O-N 2.91Å; D65-S69 VanDerWaalsContact O-N 3.1Å; K66-S69 PolarHBondContact O-N 2.84Å
70	T	96.5	Very high	96.6	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129	-173.7	-56.2	0	0	0	0	110.8	C14 K15 F21 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.48Å; K15-T70 HydrophobicContact CB-CG2 4.48Å; F21-T70 VanDerWaalsContact CZ-C 3.5Å; D65-T70 PolarHBondContact N-O 3.48Å; D65-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-N 2.88Å; S68-T70 PolarHBondContact O-OG1 2.81Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 2.79Å; T70-Y72 HydrophobicContact CG2-CD1 4.19Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 3.6Å; T70-Y72 HydrophobicContact CG2-CE2 3.72Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.41Å
71	A	96.8	Very high	96.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	149.9	167.7	0	0	0	0	0	109.8	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.38Å; C14-A71 PolarHBondContact N-O 3.38Å; C14-A71 PolarHBondContact O-N 3.16Å; F21-A71 HydrophobicContact CE2-CB 4.19Å; F21-A71 HydrophobicContact CZ-CB 4.05Å; M26-A71 HydrophobicContact CB-CB 4.23Å; M26-A71 HydrophobicContact CE-CB 4.19Å; M26-A71 HydrophobicContact CG-CB 3.69Å; W28-A71 HydrophobicContact CZ2-CB 4.26Å; V64-A71 HydrophobicContact CG1-CB 4.14Å
72	Y	98	Very high	96.2	Very high	49 Å²	49	47.2 Å²	47.2	19%	0.192	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.3	178.1	-54.6	-90.1	0	0	0	111.4	K11 V12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.19Å; K11-Y72 HydrophobicContact CD-CG 4.46Å; K11-Y72 HydrophobicContact CG-CD1 4.16Å; V12-Y72 CarbonylContact O-C 3.57Å; V12-Y72 VanDerWaalsContact O-CA 3.23Å; V12-Y72 WeakPolarHBondContact O-CA 3.14Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.45Å; L62-Y72 WeakPolarHBondContact CA-O 2.94Å; T63-Y72 PolarHBondContact N-O 2.77Å; T63-Y72 PolarHBondContact O-N 3.2Å; D65-Y72 HydrophobicContact CB-CE2 3.84Å; T70-Y72 HydrophobicContact CG2-CD1 4.19Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 3.6Å; T70-Y72 HydrophobicContact CG2-CE2 3.72Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.41Å
73	M	98.3	Very high	96.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.3	166.9	176	-177.4	66.5	0	0	108.5	V12 W28 I40 A60 T61 L62 L75 Y86	V12-M73 HydrophobicContact CB-CE 4.34Å; V12-M73 HydrophobicContact CG2-CE 4.17Å; V12-M73 PolarHBondContact N-O 2.8Å; V12-M73 PolarHBondContact O-N 2.85Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.42Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.12Å; W28-M73 HydrophobicContact CE3-CB 3.82Å; W28-M73 HydrophobicContact CE3-CE 3.8Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.08Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.04Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; I40-M73 HydrophobicContact CD1-CE 4.07Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 4Å; A60-M73 HydrophobicContact CB-CG 4.28Å; A60-M73 HydrophobicContact CB-SD 4.44Å; T61-M73 WeakPolarHBondContact O-CA 3.27Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.38Å; M73-L75 HydrophobicContact CE-CD1 3.83Å; M73-L75 HydrophobicContact CE-CD2 4.15Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CD2 4.29Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 3.97Å; M73-L75 HydrophobicContact SD-CG 4.29Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.26Å; M73-Y86 HydrophobicContact CE-CG 4.07Å
74	Q	98.3	Very high	96.1	Very high	82 Å²	82	45.9 Å²	45.9	38%	0.383	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.2	168.8	-173.9	175.5	10.2	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.5Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.29Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.4Å; T61-Q74 PolarHBondContact N-O 2.78Å; T61-Q74 PolarHBondContact O-N 2.91Å
75	L	97.8	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.7	171.4	-63.4	166.5	0	0	0	108.5	S9 V10 K59 A60 M73 L78 Y86 L103	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 2.98Å; S9-L75 WeakPolarHBondContact CB-O 3Å; V10-L75 HydrophobicContact CG1-CB 4.16Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 3.27Å; V10-L75 PolarHBondContact O-N 2.97Å; K59-L75 WeakPolarHBondContact O-CA 3Å; A60-L75 HydrophobicContact CB-CD2 3.99Å; M73-L75 HydrophobicContact CE-CD1 3.83Å; M73-L75 HydrophobicContact CE-CD2 4.15Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CD2 4.29Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 3.97Å; M73-L75 HydrophobicContact SD-CG 4.29Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; L75-Y86 HydrophobicContact CD1-CD1 4.05Å; L75-Y86 HydrophobicContact CD1-CD2 4.44Å; L75-Y86 HydrophobicContact CD1-CE1 3.54Å; L75-Y86 HydrophobicContact CD1-CE2 4.01Å; L75-Y86 HydrophobicContact CD1-CG 4.45Å; L75-Y86 HydrophobicContact CD2-CE1 4.49Å; L75-L103 HydrophobicContact CD1-CD2 4.19Å
76	S	97.1	Very high	96.2	Very high	28 Å²	28	43.4 Å²	43.4	20%	0.196	25%	0.254	C	S	.	.			trans	-109.8	153.7	-175.7	-62.4	0	0	0	0	112.7	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.04Å; K59-S76 VanDerWaalsContact CD-O 3.23Å; K59-S76 WeakPolarHBondContact CD-O 3.49Å; K59-S76 WeakPolarHBondContact CE-O 3.11Å; K59-S76 PolarHBondContact NZ-O 2.84Å; K59-S76 VanDerWaalsContact NZ-O 3.09Å; K59-S76 PolarHBondContact O-N 3.09Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.01Å
77	S	96.3	Very high	96.4	Very high	80 Å²	80	40.4 Å²	40.4	56%	0.559	24%	0.24	S	C	*	.	S	Bend	trans	51.4	50.6	172.2	-54	0	0	0	0	112.5	A8 K59	A8-S77 PolarHBondContact O-N 2.89Å; K59-S77 PolarHBondContact NZ-O 2.99Å
78	L	96.4	Very high	96.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.207	C	C	.	.			trans	-59.5	141.3	-171.2	-70.5	171.6	0	0	0	112.7	V4 P6 G7 A8 V10 L75 S76 D82 L103 V105	V4-L78 HydrophobicContact CG2-CD1 3.58Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.43Å; G7-L78 PolarHBondContact N-O 2.96Å; A8-L78 WeakPolarHBondContact O-CB 3.4Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.85Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.9Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.01Å; L78-D82 WeakPolarHBondContact CA-OD2 3.43Å; L78-D82 HydrophobicContact CD2-CB 3.63Å; L78-L103 HydrophobicContact CD1-CD2 3.94Å; L78-L103 HydrophobicContact CD2-CD2 3.98Å; L78-V105 HydrophobicContact CB-CG1 4.24Å; L78-V105 HydrophobicContact CB-CG2 4.05Å; L78-V105 HydrophobicContact CD1-CG2 4.41Å
79	T	95.4	Very high	96.4	Very high	61 Å²	61	34 Å²	34	37%	0.374	20%	0.195	S	C	.	.			trans	-118.9	170.2	173.3	67.8	0	0	0	0	109.9	E81 D82 V105	T79-E81 PolarHBondContact O-N 3.28Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-D82 PolarHBondContact N-OD2 2.9Å; T79-D82 WeakPolarHBondContact O-CB 3.28Å; T79-D82 PolarHBondContact O-N 2.03Å; T79-D82 PolarHBondContact OG1-OD2 2.91Å; T79-V105 WeakPolarHBondContact O-CB 3.46Å; T79-V105 WeakPolarHBondContact O-CG2 3.4Å
80	S	94.1	Very high	96.1	Very high	84 Å²	84	32.7 Å²	32.7	59%	0.587	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-54.7	-33	175.8	50.8	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 3.49Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.22Å; S80-S83 PolarHBondContact O-N 2.8Å; S80-S83 PolarHBondContact O-OG 2.84Å
81	E	93.1	Very high	95.1	Very high	134 Å²	134	32.3 Å²	32.3	63%	0.626	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-66.8	-13.5	176.8	-60.1	-176.1	177.6	0	0	114.3	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.41Å; K30-E81 PolarHBondContact NZ-O 2.81Å; R32-E81 PolarHBondContact NE-O 3.16Å; T79-E81 PolarHBondContact O-N 3.28Å; T79-E81 VanDerWaalsContact O-N 3.16Å; E81-S83 VanDerWaalsContact C-N 3.3Å
82	D	95.7	Very high	93.7	Very high	11 Å²	11	38.2 Å²	38.2	6%	0.059	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-84.4	-4.4	173.6	-62.7	-47.7	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 3.84Å; K30-D82 PolarHBondContact NZ-OD1 2.8Å; K59-D82 WeakPolarHBondContact CE-OD2 3.23Å; K59-D82 IonicContact NZ-OD2 3.61Å; K59-D82 PolarHBondContact NZ-OD2 2.89Å; L78-D82 WeakPolarHBondContact CA-OD2 3.43Å; L78-D82 HydrophobicContact CD2-CB 3.63Å; T79-D82 PolarHBondContact N-OD2 2.9Å; T79-D82 WeakPolarHBondContact O-CB 3.28Å; T79-D82 PolarHBondContact O-N 2.03Å; T79-D82 PolarHBondContact OG1-OD2 2.91Å; S80-D82 PolarHBondContact O-N 3.49Å; D82-A84 PolarHBondContact O-N 3.02Å; D82-Y86 WeakPolarHBondContact O-CE2 3.12Å; D82-Y86 PolarHBondContact O-OH 2.9Å; D82-V105 HydrophobicContact CB-CG2 4.23Å
83	S	96.7	Very high	92.1	Very high	34 Å²	34	37.9 Å²	37.9	24%	0.238	23%	0.225	C	C	.	.			trans	-65.2	114.3	171.4	-55.2	0	0	0	0	110.3	S80 E81 L103 V105	S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.22Å; S80-S83 PolarHBondContact O-N 2.8Å; S80-S83 PolarHBondContact O-OG 2.84Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-L103 CarbonylContact C-O 3.51Å; S83-L103 VanDerWaalsContact CA-O 3.25Å; S83-L103 WeakPolarHBondContact CA-O 3.46Å; S83-V105 PolarHBondContact OG-N 2.82Å
84	A	97.4	Very high	90.8	Very high	6 Å²	6	41.5 Å²	41.5	5%	0.05	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	172.6	-171	0	0	0	0	0	111	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.58Å; Q31-A84 WeakPolarHBondContact O-CA 3.04Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; R32-A84 HydrophobicContact CG-CB 4.27Å; D82-A84 PolarHBondContact O-N 3.02Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-L103 PolarHBondContact N-O 3.32Å; A84-L103 PolarHBondContact O-N 3.03Å
85	V	97.9	Very high	89.6	Confident	32 Å²	32	45.4 Å²	45.4	19%	0.194	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.9	160.4	-168.8	0	0	0	0	108.7	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.2Å; Q31-V85 PolarHBondContact O-N 2.94Å; V85-Y87 HydrophobicContact CB-CE2 3.76Å; V85-Y87 HydrophobicContact CG1-CD1 4.37Å; V85-Y87 HydrophobicContact CG1-CD2 4.29Å; V85-Y87 HydrophobicContact CG1-CE1 3.7Å; V85-Y87 HydrophobicContact CG1-CE2 3.63Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.45Å
86	Y	97.8	Very high	89	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.4	178.2	-67.8	-87.5	0	0	0	109.9	V29 K30 I40 M73 L75 D82 A84 G100 T101 L103	V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.9Å; K30-Y86 WeakPolarHBondContact CE-OH 3.34Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.91Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.26Å; M73-Y86 HydrophobicContact CE-CG 4.07Å; L75-Y86 HydrophobicContact CD1-CD1 4.05Å; L75-Y86 HydrophobicContact CD1-CD2 4.44Å; L75-Y86 HydrophobicContact CD1-CE1 3.54Å; L75-Y86 HydrophobicContact CD1-CE2 4.01Å; L75-Y86 HydrophobicContact CD1-CG 4.45Å; L75-Y86 HydrophobicContact CD2-CE1 4.49Å; D82-Y86 WeakPolarHBondContact O-CE2 3.12Å; D82-Y86 PolarHBondContact O-OH 2.9Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G100 CarbonylContact O-C 3.51Å; Y86-G100 VanDerWaalsContact O-CA 3.27Å; Y86-G100 WeakPolarHBondContact O-CA 3.14Å; Y86-T101 PolarHBondContact N-O 3.1Å; Y86-T101 PolarHBondContact O-N 3.27Å; Y86-L103 HydrophobicContact CD2-CB 3.94Å; Y86-L103 HydrophobicContact CD2-CD2 4.41Å; Y86-L103 HydrophobicContact CE2-CB 3.78Å; Y86-L103 HydrophobicContact CE2-CD2 3.75Å; Y86-L103 HydrophobicContact CE2-CG 4.43Å
87	Y	97.1	Very high	88.8	Confident	45 Å²	45	56.8 Å²	56.8	18%	0.176	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	145.7	-179.2	-56.1	-87.1	0	0	0	110.3	W28 V29 Q31 V85 W97	W28-Y87 WeakPolarHBondContact CA-O 3.34Å; V29-Y87 PolarHBondContact N-O 2.93Å; V29-Y87 PolarHBondContact O-N 3.24Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 PolarHBondContact OE1-OH 3.36Å; V85-Y87 HydrophobicContact CB-CE2 3.76Å; V85-Y87 HydrophobicContact CG1-CD1 4.37Å; V85-Y87 HydrophobicContact CG1-CD2 4.29Å; V85-Y87 HydrophobicContact CG1-CE1 3.7Å; V85-Y87 HydrophobicContact CG1-CE2 3.63Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.45Å; Y87-W97 HydrophobicContact CG-CE3 4.13Å; Y87-W97 HydrophobicContact CG-CZ3 4.27Å
88	C	95.6	Very high	88.6	Confident	13 Å²	13	54.2 Å²	54.2	9%	0.088	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	150.7	157	60.8	0	0	0	0	109.6	C14 M26 H27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.25Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.45Å; M26-C88 HydrophobicContact SD-CB 3.76Å; H27-C88 CarbonylContact O-C 3.4Å; H27-C88 WeakPolarHBondContact O-CA 3.41Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å; C88-G98 PolarHBondContact O-N 2.81Å
89	A	93.9	Very high	88.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151.9	175.6	0	0	0	0	0	111.2	H27 Y94 Y96 W97	H27-A89 PolarHBondContact N-O 3.44Å; H27-A89 PolarHBondContact O-N 2.9Å; A89-Y94 HydrophobicContact CB-CD1 3.74Å; A89-Y96 CarbonylContact C-O 3.57Å; A89-Y96 WeakPolarHBondContact CA-O 3.44Å; A89-Y96 WeakPolarHBondContact CB-O 3.42Å; A89-W97 HydrophobicContact CB-CD2 3.8Å; A89-W97 HydrophobicContact CB-CE3 3.99Å; A89-W97 HydrophobicContact CB-CG 4.21Å; A89-W97 HydrophobicContact CB-CH2 4.42Å; A89-W97 HydrophobicContact CB-CZ2 4.25Å; A89-W97 HydrophobicContact CB-CZ3 4.3Å
90	I	88.6	Confident	88.4	Confident	16 Å²	16	61.5 Å²	61.5	8%	0.082	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.2	-171.1	-56.3	131.7	0	0	0	111.4	Y19 Y24 M26 Y95 Y96	Y19-I90 HydrophobicContact CE1-CD1 3.58Å; Y19-I90 HydrophobicContact CE1-CG1 4.48Å; Y19-I90 HydrophobicContact CE2-CD1 4.45Å; Y19-I90 HydrophobicContact CE2-CG2 3.9Å; Y19-I90 VanDerWaalsContact CZ-CD1 3.42Å; Y19-I90 WeakPolarHBondContact OH-CD1 3.34Å; Y19-I90 VanDerWaalsContact OH-CG1 3.27Å; Y19-I90 WeakPolarHBondContact OH-CG1 3.42Å; Y24-I90 HydrophobicContact CD2-CG2 4.25Å; Y24-I90 HydrophobicContact CG-CG2 4.09Å; M26-I90 HydrophobicContact CE-CD1 4.11Å; M26-I90 HydrophobicContact CE-CG1 3.67Å; M26-I90 HydrophobicContact SD-CD1 4.33Å; M26-I90 HydrophobicContact SD-CG1 3.58Å; M26-I90 VanDerWaalsContact SD-CG1 3.58Å; I90-Y95 PolarHBondContact O-N 3.45Å; I90-Y96 PolarHBondContact N-O 3.02Å; I90-Y96 PolarHBondContact O-N 3.45Å
91	G	74.6	Confident	88.5	Confident	2 Å²	2	59.8 Å²	59.8	2%	0.021	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	159.1	171.4	0	0	0	0	0	114.3	W25 G93 Y94	W25-G91 PolarHBondContact O-N 3.04Å; G91-G93 PolarHBondContact O-N 2.86Å; G91-Y94 PolarHBondContact O-N 3.01Å
92	D	67.8	Low	88.7	Confident	123 Å²	123	56.3 Å²	56.3	66%	0.658	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-9	-170.3	-63	-38.9	0	0	0	114.9
93	G	65.1	Low	88.7	Confident	42 Å²	42	55.9 Å²	55.9	43%	0.433	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	18.2	173.9	0	0	0	0	0	114.9	G91	G91-G93 PolarHBondContact O-N 2.86Å
94	Y	69.6	Low	88.7	Confident	77 Å²	77	57.2 Å²	57.2	30%	0.302	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	48	-177.4	-52	-92	0	0	0	114.2	H27 V29 A89 G91 Y96 W97	H27-Y94 HydrophobicContact CB-CD1 4Å; H27-Y94 HydrophobicContact CB-CE1 3.48Å; H27-Y94 VanDerWaalsContact CB-CE1 3.48Å; H27-Y94 AromaticContact CG-CE1 3.49Å; H27-Y94 VanDerWaalsContact CG-CE1 3.49Å; H27-Y94 AromaticContact ND1-CE1 3.41Å; H27-Y94 WeakPolarHBondContact ND1-CE1 3.48Å; H27-Y94 AromaticContact ND1-CZ 3.53Å; H27-Y94 PolarHBondContact ND1-OH 2.74Å; V29-Y94 HydrophobicContact CG2-CE1 4.31Å; A89-Y94 HydrophobicContact CB-CD1 3.74Å; G91-Y94 PolarHBondContact O-N 3.01Å; Y94-Y96 VanDerWaalsContact C-N 3.31Å; Y94-Y96 PolarHBondContact O-N 3.17Å; Y94-W97 HydrophobicContact CD1-CH2 4.45Å; Y94-W97 HydrophobicContact CD1-CZ2 4.07Å; Y94-W97 HydrophobicContact CG-CZ2 4.1Å; Y94-W97 PolarHBondContact O-NE1 2.85Å
95	Y	73.1	Confident	88.6	Confident	164 Å²	164	57.3 Å²	57.3	64%	0.643	29%	0.293	S	S	*	.			trans	-66.3	-30.2	-173.2	-59.1	-69.2	0	0	0	113.9	I90	I90-Y95 PolarHBondContact O-N 3.45Å
96	Y	85.9	Confident	88.3	Confident	162 Å²	162	56.9 Å²	56.9	64%	0.635	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.9	-177.8	-57.5	-75.9	0	0	0	110.2	A89 I90 Y94	A89-Y96 CarbonylContact C-O 3.57Å; A89-Y96 WeakPolarHBondContact CA-O 3.44Å; A89-Y96 WeakPolarHBondContact CB-O 3.42Å; I90-Y96 PolarHBondContact N-O 3.02Å; I90-Y96 PolarHBondContact O-N 3.45Å; Y94-Y96 VanDerWaalsContact C-N 3.31Å; Y94-Y96 PolarHBondContact O-N 3.17Å
97	W	91.9	Very high	87.5	Confident	105 Å²	105	61.8 Å²	61.8	40%	0.398	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.8	179.7	-70.6	74.2	0	0	0	110.4	V29 L37 Y87 A89 Y94	V29-W97 HydrophobicContact CB-CH2 4.24Å; V29-W97 HydrophobicContact CB-CZ3 3.98Å; V29-W97 HydrophobicContact CG1-CH2 4.18Å; V29-W97 HydrophobicContact CG1-CZ3 4.15Å; V29-W97 HydrophobicContact CG2-CH2 3.87Å; V29-W97 HydrophobicContact CG2-CZ3 3.99Å; L37-W97 HydrophobicContact CD1-CH2 3.83Å; L37-W97 HydrophobicContact CD1-CZ2 4.4Å; L37-W97 HydrophobicContact CD1-CZ3 4.43Å; Y87-W97 HydrophobicContact CG-CE3 4.13Å; Y87-W97 HydrophobicContact CG-CZ3 4.27Å; A89-W97 HydrophobicContact CB-CD2 3.8Å; A89-W97 HydrophobicContact CB-CE3 3.99Å; A89-W97 HydrophobicContact CB-CG 4.21Å; A89-W97 HydrophobicContact CB-CH2 4.42Å; A89-W97 HydrophobicContact CB-CZ2 4.25Å; A89-W97 HydrophobicContact CB-CZ3 4.3Å; Y94-W97 HydrophobicContact CD1-CH2 4.45Å; Y94-W97 HydrophobicContact CD1-CZ2 4.07Å; Y94-W97 HydrophobicContact CG-CZ2 4.1Å; Y94-W97 PolarHBondContact O-NE1 2.85Å
98	G	92.9	Very high	86.3	Confident	26 Å²	26	67 Å²	67	27%	0.268	35%	0.352	S	S	.	.			trans	-69.5	161.8	165.1	0	0	0	0	0	111.1	C88 G100	C88-G98 PolarHBondContact O-N 2.81Å; G98-G100 PolarHBondContact O-N 3.15Å; G98-G100 VanDerWaalsContact O-N 3.1Å
99	Q	93.4	Very high	84.6	Confident	188 Å²	188	71.5 Å²	71.5	88%	0.879	38%	0.384	S	S	*	.			trans	-64.1	-15.7	179.4	-63.6	-62	-45.2	0	0	113.7
100	G	95.1	Very high	82.7	Confident	27 Å²	27	77.1 Å²	77.1	28%	0.278	41%	0.41	S	S	.	.			trans	87.1	150.8	-178	0	0	0	0	0	112.9	Y86 G98	Y86-G100 CarbonylContact O-C 3.51Å; Y86-G100 VanDerWaalsContact O-CA 3.27Å; Y86-G100 WeakPolarHBondContact O-CA 3.14Å; G98-G100 PolarHBondContact O-N 3.15Å; G98-G100 VanDerWaalsContact O-N 3.1Å
101	T	96.4	Very high	80.9	Confident	48 Å²	48	82.1 Å²	82.1	29%	0.294	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.3	173.1	-61.2	0	0	0	0	108.6	V12 Y86 L103	V12-T101 HydrophobicContact CG1-CG2 4.4Å; Y86-T101 PolarHBondContact N-O 3.1Å; Y86-T101 PolarHBondContact O-N 3.27Å; T101-L103 PolarHBondContact O-N 3.47Å
102	T	97.1	Very high	79.8	Confident	60 Å²	60	93.5 Å²	93.5	37%	0.368	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.7	171.5	-48.3	0	0	0	0	109.6	A1 E2	A1-T102 CarbonylContact C-O 3.47Å; A1-T102 WeakPolarHBondContact CA-O 3.22Å; A1-T102 HydrophobicContact CB-CG2 4.29Å; E2-T102 PolarHBondContact N-O 3.27Å
103	L	95.9	Very high	80.4	Confident	3 Å²	3	92 Å²	92	2%	0.016	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.7	171.4	-176.6	70	0	0	0	108.2	E2 V4 V10 L75 L78 S83 A84 Y86 T101 V105	E2-L103 HydrophobicContact CB-CD1 4.02Å; E2-L103 HydrophobicContact CG-CD1 4.39Å; E2-L103 WeakPolarHBondContact O-CA 3.5Å; V4-L103 HydrophobicContact CG1-CD1 3.98Å; V4-L103 HydrophobicContact CG2-CD1 3.79Å; V4-L103 HydrophobicContact CG2-CG 4.33Å; V10-L103 HydrophobicContact CB-CD1 4.37Å; V10-L103 HydrophobicContact CG1-CD1 4.01Å; V10-L103 HydrophobicContact CG1-CD2 3.8Å; V10-L103 HydrophobicContact CG2-CD1 4.18Å; L75-L103 HydrophobicContact CD1-CD2 4.19Å; L78-L103 HydrophobicContact CD1-CD2 3.94Å; L78-L103 HydrophobicContact CD2-CD2 3.98Å; S83-L103 CarbonylContact C-O 3.51Å; S83-L103 VanDerWaalsContact CA-O 3.25Å; S83-L103 WeakPolarHBondContact CA-O 3.46Å; A84-L103 PolarHBondContact N-O 3.32Å; A84-L103 PolarHBondContact O-N 3.03Å; Y86-L103 HydrophobicContact CD2-CB 3.94Å; Y86-L103 HydrophobicContact CD2-CD2 4.41Å; Y86-L103 HydrophobicContact CE2-CB 3.78Å; Y86-L103 HydrophobicContact CE2-CD2 3.75Å; Y86-L103 HydrophobicContact CE2-CG 4.43Å; T101-L103 PolarHBondContact O-N 3.47Å; L103-V105 HydrophobicContact CD2-CG2 4.47Å; L103-V105 HydrophobicContact CG-CG2 4.41Å
104	T	96.3	Very high	81.2	Confident	61 Å²	61	94.6 Å²	94.6	37%	0.374	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.5	174.8	-57.9	0	0	0	0	108.4	E2 L3 V4	E2-T104 PolarHBondContact O-N 2.97Å; L3-T104 WeakPolarHBondContact CA-O 3.36Å; L3-T104 HydrophobicContact CD1-CG2 3.73Å; V4-T104 PolarHBondContact N-O 2.6Å
105	V	94.9	Very high	81.8	Confident	8 Å²	8	95.6 Å²	95.6	5%	0.048	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	106.4	177.9	-170.8	0	0	0	0	108.6	V4 P6 L78 T79 D82 S83 L103	V4-V105 HydrophobicContact CG2-CB 4.33Å; V4-V105 HydrophobicContact CG2-CG1 4.38Å; V4-V105 HydrophobicContact CG2-CG2 3.78Å; V4-V105 VanDerWaalsContact O-CA 3.31Å; V4-V105 WeakPolarHBondContact O-CA 3.49Å; P6-V105 HydrophobicContact CB-CG1 4.41Å; P6-V105 HydrophobicContact CG-CG1 4.13Å; L78-V105 HydrophobicContact CB-CG1 4.24Å; L78-V105 HydrophobicContact CB-CG2 4.05Å; L78-V105 HydrophobicContact CD1-CG2 4.41Å; T79-V105 WeakPolarHBondContact O-CB 3.46Å; T79-V105 WeakPolarHBondContact O-CG2 3.4Å; D82-V105 HydrophobicContact CB-CG2 4.23Å; S83-V105 PolarHBondContact OG-N 2.82Å; L103-V105 HydrophobicContact CD2-CG2 4.47Å; L103-V105 HydrophobicContact CG-CG2 4.41Å
106	S	91.9	Very high	82.3	Confident	24 Å²	24	91.6 Å²	91.6	17%	0.168	49%	0.493	C	S	.	.			trans	-135.6	143.2	-177.8	-174.8	0	0	0	0	111.4	V4 P6 E108	V4-S106 PolarHBondContact O-N 3.48Å; P6-S106 WeakPolarHBondContact CD-O 3.35Å; S106-E108 VanDerWaalsContact C-N 3.26Å; S106-E108 WeakPolarHBondContact OG-CB 3.4Å; S106-E108 WeakPolarHBondContact OG-CG 3.47Å; S106-E108 PolarHBondContact OG-N 3.49Å; S106-E108 VanDerWaalsContact OG-N 3.09Å; S106-E108 PolarHBondContact OG-OE2 3.39Å
107	S	79.8	Confident	82.1	Confident	104 Å²	104	87.2 Å²	87.2	73%	0.727	48%	0.484	S	S	*	.			trans	-82.2	-5	169.8	53.7	0	0	0	0	112.8	S109	S107-S109 PolarHBondContact O-N 2.63Å
108	E	72.1	Confident	81.4	Confident	154 Å²	154	86 Å²	86	72%	0.72	49%	0.49	S	S	*	.			trans	-68.2	128.6	-178.7	-68.5	170.1	163.2	0	0	110.8	S106	S106-E108 VanDerWaalsContact C-N 3.26Å; S106-E108 WeakPolarHBondContact OG-CB 3.4Å; S106-E108 WeakPolarHBondContact OG-CG 3.47Å; S106-E108 PolarHBondContact OG-N 3.49Å; S106-E108 VanDerWaalsContact OG-N 3.09Å; S106-E108 PolarHBondContact OG-OE2 3.39Å
109	S	60.5	Low	80.6	Confident	107 Å²	107	90.3 Å²	90.3	75%	0.748	51%	0.505	S	S	*	.			trans	-64.1	136	165.1	-41.7	0	0	0	0	108.3	S107 S111	S107-S109 PolarHBondContact O-N 2.63Å; S109-S111 PolarHBondContact O-N 2.95Å
110	Q	53.1	Low	79.6	Confident	119 Å²	119	82.8 Å²	82.8	56%	0.556	48%	0.477	S	S	*	.			trans	-62.3	104.8	163.3	-71.9	-176.9	-2.5	0	0	107.3	L3 F112	L3-Q110 HydrophobicContact CD2-CG 4.19Å; Q110-F112 VanDerWaalsContact C-N 3.34Å; Q110-F112 HydrophobicContact CB-CD2 4.08Å; Q110-F112 HydrophobicContact CB-CE2 3.81Å; Q110-F112 HydrophobicContact CB-CZ 4.33Å; Q110-F112 PolarHBondContact O-N 2.66Å; Q110-F112 VanDerWaalsContact O-N 3.16Å; Q110-F112 VanDerWaalsContact OE1-CE2 3.29Å
111	S	52.3	Low	78.3	Confident	121 Å²	121	87.4 Å²	87.4	85%	0.846	49%	0.493	S	S	*	.			trans	-72.5	98.6	159.8	44.5	0	0	0	0	106.1	S109	S109-S111 PolarHBondContact O-N 2.95Å
112	F	50	Low	76.7	Confident	240 Å²	240	91 Å²	91	100%	1.053	51%	0.511	S	S	*	.			trans	-73.4	0	165.2	-73.1	-81.1	0	0	0	110.1	Q110	Q110-F112 VanDerWaalsContact C-N 3.34Å; Q110-F112 HydrophobicContact CB-CD2 4.08Å; Q110-F112 HydrophobicContact CB-CE2 3.81Å; Q110-F112 HydrophobicContact CB-CZ 4.33Å; Q110-F112 PolarHBondContact O-N 2.66Å; Q110-F112 VanDerWaalsContact O-N 3.16Å; Q110-F112 VanDerWaalsContact OE1-CE2 3.29Å

Retrieved 112 of 112 residues in 26.8 ms (Link to these results)

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