X5J5A5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5A5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 113 aa.

						>X5J5A5_MOUSE|X5J5A5
AELVMPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGEIDPSDSYTNYNQKFKGKSTLTVDKSSSTAYMQLSSLTSEDSAVYYCARRDYSNYGLAWFAYWGQGTLVTVS
					

Structure Viewer

Loading PAE data...

(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	83.5	Confident	94.7	Very high	101 Å²	101	77.4 Å²	77.4	84%	0.835	47%	0.469	S	S	*	.				0	139.4	0	0	0	0	0	0	106.9	L109	A1-L109 CarbonylContact C-O 3.39Å; A1-L109 WeakPolarHBondContact CA-O 3.44Å; A1-L109 HydrophobicContact CB-CB 3.99Å
2	E	90.4	Very high	95	Very high	92 Å²	92	71.5 Å²	71.5	43%	0.43	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127	-174.1	-62.3	-63.5	149.8	0	0	109.2	V4 V10 L12 T108 L109 V110 T111	E2-V4 HydrophobicContact CB-CG1 4.49Å; E2-V10 HydrophobicContact CB-CG2 4.2Å; E2-V10 HydrophobicContact CG-CG2 3.98Å; E2-L12 HydrophobicContact CG-CD2 4.48Å; E2-T108 HydrophobicContact CG-CG2 4.4Å; E2-L109 PolarHBondContact N-O 2.65Å; E2-V110 HydrophobicContact CB-CG2 4.32Å; E2-V110 CarbonylContact O-C 3.47Å; E2-V110 WeakPolarHBondContact O-CA 3.4Å; E2-T111 PolarHBondContact O-N 3.49Å
3	L	95.5	Very high	95.2	Very high	122 Å²	122	71.8 Å²	71.8	64%	0.639	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	122	170.9	-177.7	65.8	0	0	0	108	T111 S113	L3-T111 WeakPolarHBondContact CA-O 3.44Å; L3-T111 HydrophobicContact CD1-CG2 3.76Å; L3-S113 WeakPolarHBondContact CD1-OG 3.3Å
4	V	95.9	Very high	95.3	Very high	22 Å²	22	67.8 Å²	67.8	13%	0.133	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.1	-173.1	-61.8	0	0	0	0	111.4	E2 A8 L78 V110 T111 V112 S113	E2-V4 HydrophobicContact CB-CG1 4.49Å; V4-A8 HydrophobicContact CB-CB 4.28Å; V4-L78 HydrophobicContact CG2-CD1 3.61Å; V4-V110 HydrophobicContact CG2-CG1 4.18Å; V4-T111 PolarHBondContact N-O 2.63Å; V4-V112 HydrophobicContact CG2-CB 4.44Å; V4-V112 HydrophobicContact CG2-CG2 3.87Å; V4-V112 VanDerWaalsContact O-CA 3.31Å; V4-V112 WeakPolarHBondContact O-CA 3.46Å; V4-S113 PolarHBondContact O-N 2.97Å
5	M	96	Very high	95.4	Very high	144 Å²	144	73.5 Å²	73.5	71%	0.709	43%	0.433	S	S	*	.			trans	-75.5	152.2	175.6	-67.5	-176.2	-73.4	0	0	111.1	G7 A8	M5-G7 PolarHBondContact O-N 3.26Å; M5-A8 WeakPolarHBondContact O-CB 3.27Å; M5-A8 PolarHBondContact O-N 2.89Å; M5-A8 VanDerWaalsContact O-N 3.11Å
6	P	96.8	Very high	95.2	Very high	82 Å²	82	69.7 Å²	69.7	53%	0.532	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	139.1	169.6	-25.2	34.2	0	0	0	112.2	A8 V112	P6-A8 PolarHBondContact O-N 3.24Å; P6-V112 HydrophobicContact CB-CG1 4.38Å; P6-V112 HydrophobicContact CG-CG1 4.16Å
7	G	95.6	Very high	95	Very high	51 Å²	51	71.5 Å²	71.5	53%	0.526	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-12.7	-176.2	0	0	0	0	0	114.6	M5 L78	M5-G7 PolarHBondContact O-N 3.26Å; G7-L78 PolarHBondContact N-O 3.03Å
8	A	96.6	Very high	94.8	Very high	33 Å²	33	72.6 Å²	72.6	27%	0.273	46%	0.457	S	S	.	.			trans	-67.8	166.7	175.7	0	0	0	0	0	112.1	V4 M5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.28Å; M5-A8 WeakPolarHBondContact O-CB 3.27Å; M5-A8 PolarHBondContact O-N 2.89Å; M5-A8 VanDerWaalsContact O-N 3.11Å; P6-A8 PolarHBondContact O-N 3.24Å; A8-S77 PolarHBondContact O-N 3.03Å; A8-L78 WeakPolarHBondContact O-CB 3.44Å; A8-L78 WeakPolarHBondContact O-CG 3.34Å; A8-L78 PolarHBondContact O-N 3.14Å
9	S	96.9	Very high	94.4	Very high	64 Å²	64	71.8 Å²	71.8	45%	0.448	45%	0.445	S	S	.	.			trans	-117.5	145.3	171.4	-56.8	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.24Å; S9-L75 VanDerWaalsContact CB-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.22Å; S9-S76 WeakPolarHBondContact OG-CA 3.49Å
10	V	97.2	Very high	94.3	Very high	13 Å²	13	72.7 Å²	72.7	8%	0.079	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.9	176.5	74.5	0	0	0	0	109.8	E2 L12 Q74 L75 L78 V110	E2-V10 HydrophobicContact CB-CG2 4.2Å; E2-V10 HydrophobicContact CG-CG2 3.98Å; V10-L12 HydrophobicContact CG1-CD2 4.34Å; V10-L12 HydrophobicContact CG1-CG 4.41Å; V10-L12 HydrophobicContact CG2-CD2 4.08Å; V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 WeakPolarHBondContact O-CA 3.19Å; V10-L75 HydrophobicContact CG1-CB 4.14Å; V10-L75 HydrophobicContact CG1-CD1 4.18Å; V10-L75 PolarHBondContact N-O 3.37Å; V10-L75 PolarHBondContact O-N 2.78Å; V10-L78 HydrophobicContact CB-CD1 4.1Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; V10-V110 HydrophobicContact CG1-CG1 4.39Å; V10-V110 HydrophobicContact CG1-CG2 4.47Å
11	K	97.7	Very high	94.2	Very high	127 Å²	127	69.5 Å²	69.5	55%	0.552	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.5	174.2	-173.3	178.1	-179.3	-178.9	0	109.3	Y72	K11-Y72 HydrophobicContact CD-CD1 4.35Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.32Å
12	L	98	Very high	94.7	Very high	7 Å²	7	67.3 Å²	67.3	4%	0.037	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	147	175.4	-54.9	-176	0	0	0	109.8	E2 V10 W28 Y72 M73 Y86 T108 V110	E2-L12 HydrophobicContact CG-CD2 4.48Å; V10-L12 HydrophobicContact CG1-CD2 4.34Å; V10-L12 HydrophobicContact CG1-CG 4.41Å; V10-L12 HydrophobicContact CG2-CD2 4.08Å; L12-W28 HydrophobicContact CB-CH2 4.02Å; L12-W28 HydrophobicContact CB-CZ3 3.94Å; L12-Y72 CarbonylContact O-C 3.52Å; L12-Y72 WeakPolarHBondContact O-CA 3.07Å; L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 PolarHBondContact N-O 3.39Å; L12-M73 PolarHBondContact O-N 2.97Å; L12-Y86 VanDerWaalsContact CD1-CB 3.47Å; L12-Y86 HydrophobicContact CD1-CD1 4.48Å; L12-Y86 HydrophobicContact CD1-CD2 4.16Å; L12-Y86 HydrophobicContact CD1-CG 3.79Å; L12-T108 HydrophobicContact CD2-CG2 3.97Å; L12-V110 HydrophobicContact CD1-CG2 4.18Å; L12-V110 HydrophobicContact CD2-CG2 3.97Å
13	S	97.5	Very high	94.7	Very high	75 Å²	75	66.2 Å²	66.2	52%	0.524	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.8	178.1	65.2	0	0	0	0	111.2	A71 Y72	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.38Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å
14	C	96.8	Very high	94.4	Very high	16 Å²	16	63.3 Å²	63.3	11%	0.108	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	105.2	174.3	-179.5	0	0	0	0	108.8	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.86Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; C14-T70 WeakPolarHBondContact O-CA 2.98Å; C14-A71 PolarHBondContact N-O 2.95Å; C14-A71 PolarHBondContact O-N 3.02Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.22Å
15	K	96.3	Very high	94.3	Very high	154 Å²	154	64.5 Å²	64.5	67%	0.67	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.1	-179.3	-173.5	173.8	-171	-179.5	0	110.2	T70	K15-T70 HydrophobicContact CB-CG2 4.48Å
16	A	93.2	Very high	94.2	Very high	12 Å²	12	57.9 Å²	57.9	10%	0.099	36%	0.359	C	S	.	.			trans	-75.5	147.2	174	0	0	0	0	0	111.3	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.87Å; A16-Y19 HydrophobicContact CB-CE2 4.07Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.26Å; A16-F21 HydrophobicContact CB-CB 4.09Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4Å; A16-S69 WeakPolarHBondContact CB-O 3.46Å; A16-S69 PolarHBondContact N-O 2.82Å
17	S	91.4	Very high	94.2	Very high	100 Å²	100	54.2 Å²	54.2	70%	0.699	34%	0.335	S	S	*	.			trans	-149	146.1	174.1	61.2	0	0	0	0	110.2	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.41Å; S17-Y19 PolarHBondContact O-N 3.09Å
18	G	90.3	Very high	94.3	Very high	91 Å²	91	52 Å²	52	94%	0.938	31%	0.311	S	S	*	.	S	Bend	trans	77.9	11.4	176	0	0	0	0	0	116
19	Y	88.1	Confident	94.3	Very high	58 Å²	58	50.6 Å²	50.6	23%	0.227	30%	0.299	C	S	.	.	S	Bend	trans	-156.9	165.3	174.4	64.4	-86	0	0	0	111.9	A16 S17 F21 Y24 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.87Å; A16-Y19 HydrophobicContact CB-CE2 4.07Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.26Å; S17-Y19 WeakPolarHBondContact O-CD1 3.41Å; S17-Y19 PolarHBondContact O-N 3.09Å; Y19-F21 HydrophobicContact CE2-CD2 4.49Å; Y19-F21 PolarHBondContact O-N 2.9Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; Y19-Y24 AromaticContact CD2-CD2 3.54Å; Y19-Y24 HydrophobicContact CD2-CD2 3.54Å; Y19-Y24 AromaticContact CD2-CE2 3.97Å; Y19-Y24 HydrophobicContact CD2-CE2 3.97Å; Y19-Y24 AromaticContact CE2-CD2 3.93Å; Y19-Y24 HydrophobicContact CE2-CD2 3.93Å; Y19-Y24 HydrophobicContact CG-CD2 4.44Å; Y19-M26 WeakPolarHBondContact OH-CE 3.38Å; Y19-R90 HydrophobicContact CE2-CG 4.42Å; Y19-R90 VanDerWaalsContact CZ-CD 3.49Å
20	T	92.4	Very high	94.4	Very high	89 Å²	89	47.6 Å²	47.6	55%	0.546	28%	0.278	S	S	.	.			trans	-69.9	104.7	172.3	-55.7	0	0	0	0	109.8	T22 S23	T20-T22 PolarHBondContact O-N 2.86Å; T20-T22 VanDerWaalsContact O-N 3.15Å; T20-S23 WeakPolarHBondContact CB-OG 3.41Å; T20-S23 WeakPolarHBondContact CG2-OG 3.41Å; T20-S23 WeakPolarHBondContact O-CB 3.5Å; T20-S23 PolarHBondContact O-N 3.22Å
21	F	92.9	Very high	94.4	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.026	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-54.3	-37.1	-173	177.1	-126.1	0	0	0	113.7	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.09Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4Å; Y19-F21 HydrophobicContact CE2-CD2 4.49Å; Y19-F21 PolarHBondContact O-N 2.9Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; F21-S23 PolarHBondContact O-N 2.85Å; F21-M26 HydrophobicContact CE2-CE 4.14Å; F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.44Å; F21-P45 HydrophobicContact CD2-CB 4.5Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.56Å; F21-P45 HydrophobicContact CE1-CG 4.08Å; F21-P45 HydrophobicContact CE2-CB 4.25Å; F21-P45 HydrophobicContact CE2-CG 3.84Å; F21-P45 HydrophobicContact CG-CB 4.33Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.76Å; F21-V64 HydrophobicContact CE1-CB 4.27Å; F21-V64 HydrophobicContact CE1-CG1 4.27Å; F21-V64 HydrophobicContact CZ-CB 4.47Å; F21-V64 HydrophobicContact CZ-CG1 4.02Å; F21-S69 VanDerWaalsContact CD1-CA 3.5Å; F21-A71 HydrophobicContact CE2-CB 4.36Å; F21-A71 HydrophobicContact CZ-CB 3.98Å
22	T	93.6	Very high	94.3	Very high	56 Å²	56	46.8 Å²	46.8	34%	0.344	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-76.7	-1.3	-179.5	57.5	0	0	0	0	114.7	T20 S46 K66	T20-T22 PolarHBondContact O-N 2.86Å; T20-T22 VanDerWaalsContact O-N 3.15Å; T22-S46 WeakPolarHBondContact O-CB 3.31Å; T22-K66 HydrophobicContact CG2-CD 4.25Å; T22-K66 HydrophobicContact CG2-CG 4.44Å
23	S	90.8	Very high	94	Very high	69 Å²	69	52 Å²	52	48%	0.483	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-92	-5.8	180	-60.4	0	0	0	0	113.5	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.41Å; T20-S23 WeakPolarHBondContact CG2-OG 3.41Å; T20-S23 WeakPolarHBondContact O-CB 3.5Å; T20-S23 PolarHBondContact O-N 3.22Å; F21-S23 PolarHBondContact O-N 2.85Å
24	Y	89.4	Confident	93.8	Very high	61 Å²	61	53 Å²	53	24%	0.239	33%	0.329	C	S	.	.	S	Bend	trans	-140.3	142.7	-173	-60.7	-84.8	0	0	0	112.1	Y19 P45 R90 R91	Y19-Y24 AromaticContact CD2-CD2 3.54Å; Y19-Y24 HydrophobicContact CD2-CD2 3.54Å; Y19-Y24 AromaticContact CD2-CE2 3.97Å; Y19-Y24 HydrophobicContact CD2-CE2 3.97Å; Y19-Y24 AromaticContact CE2-CD2 3.93Å; Y19-Y24 HydrophobicContact CE2-CD2 3.93Å; Y19-Y24 HydrophobicContact CG-CD2 4.44Å; Y24-P45 WeakPolarHBondContact O-CD 3.11Å; Y24-P45 WeakPolarHBondContact O-CG 3.3Å; Y24-R90 HydrophobicContact CD1-CG 4.37Å; Y24-R90 HydrophobicContact CG-CG 4.01Å; Y24-R91 VanDerWaalsContact CD1-O 3.24Å; Y24-R91 WeakPolarHBondContact CD1-O 3.48Å
25	W	92.6	Very high	93.6	Very high	47 Å²	47	56.9 Å²	56.9	18%	0.178	35%	0.346	C	S	.	.			trans	-71	138.7	173.9	-71.5	49.2	0	0	0	110.2	E42 D44 Y49 R91	W25-E42 HydrophobicContact CE3-CB 4Å; W25-E42 HydrophobicContact CE3-CG 3.43Å; W25-E42 VanDerWaalsContact CE3-CG 3.43Å; W25-E42 VanDerWaalsContact CE3-OE2 3.26Å; W25-E42 HydrophobicContact CZ3-CG 3.54Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.22Å; W25-D44 HydrophobicContact CD2-CB 4.02Å; W25-D44 HydrophobicContact CE3-CB 4.49Å; W25-D44 HydrophobicContact CG-CB 4.42Å; W25-D44 HydrophobicContact CH2-CB 4.47Å; W25-D44 HydrophobicContact CZ2-CB 3.93Å; W25-D44 PolarHBondContact NE1-OD2 2.68Å; W25-Y49 AromaticContact CH2-CD1 3.44Å; W25-Y49 HydrophobicContact CH2-CD1 3.44Å; W25-Y49 VanDerWaalsContact CH2-CD1 3.44Å; W25-Y49 AromaticContact CH2-CE1 3.77Å; W25-Y49 HydrophobicContact CH2-CE1 3.77Å; W25-Y49 HydrophobicContact CZ2-CD1 4.34Å; W25-Y49 AromaticContact CZ3-CD1 3.94Å; W25-Y49 HydrophobicContact CZ3-CD1 3.94Å; W25-Y49 HydrophobicContact CZ3-CE1 4.21Å; W25-R91 PolarHBondContact O-N 2.83Å
26	M	94.9	Very high	93.5	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.02	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.9	175.4	-173.8	60.5	67.3	0	0	109.8	Y19 F21 E42 I43 A71 C88	Y19-M26 WeakPolarHBondContact OH-CE 3.38Å; F21-M26 HydrophobicContact CE2-CE 4.14Å; M26-E42 CarbonylContact O-C 3.49Å; M26-E42 VanDerWaalsContact O-CA 3.22Å; M26-E42 WeakPolarHBondContact O-CA 3.35Å; M26-I43 HydrophobicContact CB-CG2 4.08Å; M26-I43 PolarHBondContact N-O 2.87Å; M26-I43 PolarHBondContact O-N 3.13Å; M26-A71 HydrophobicContact CB-CB 4.16Å; M26-A71 HydrophobicContact CG-CB 3.65Å; M26-C88 HydrophobicContact SD-CB 3.77Å
27	H	96.2	Very high	93.6	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.028	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	149.5	-179.6	-60.6	-108.3	0	0	0	110.7	W39 G41 E42 C88 A89 R91 F101	H27-W39 AromaticContact ND1-NE1 3.3Å; H27-W39 PolarHBondContact ND1-NE1 2.84Å; H27-G41 WeakPolarHBondContact CA-O 3.33Å; H27-E42 IonicContact CE1-OE2 3.7Å; H27-E42 PolarHBondContact CE1-OE2 3.4Å; H27-E42 WeakPolarHBondContact ND1-CB 3.49Å; H27-E42 IonicContact ND1-OE2 3.99Å; H27-E42 PolarHBondContact ND1-OE2 3.45Å; H27-E42 IonicContact NE2-OE2 3.2Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 WeakPolarHBondContact O-CA 3.16Å; H27-A89 HydrophobicContact CB-CB 4.48Å; H27-A89 PolarHBondContact N-O 2.9Å; H27-A89 PolarHBondContact O-N 2.86Å; H27-R91 WeakPolarHBondContact NE2-CB 3.16Å; H27-F101 HydrophobicContact CB-CD1 4.33Å; H27-F101 HydrophobicContact CB-CE1 3.7Å; H27-F101 HydrophobicContact CB-CZ 4.19Å; H27-F101 AromaticContact CD2-CE1 3.53Å; H27-F101 AromaticContact CE1-CE1 3.59Å; H27-F101 AromaticContact CG-CE1 3.25Å; H27-F101 AromaticContact CG-CZ 3.96Å; H27-F101 AromaticContact ND1-CE1 3.31Å; H27-F101 VanDerWaalsContact ND1-CE1 3.31Å; H27-F101 WeakPolarHBondContact ND1-CE1 3.47Å; H27-F101 AromaticContact ND1-CZ 3.72Å; H27-F101 AromaticContact NE2-CE1 3.74Å
28	W	97.7	Very high	93.8	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.019	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.4	173.1	-69.9	90.6	0	0	0	110.2	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.02Å; L12-W28 HydrophobicContact CB-CZ3 3.94Å; C14-W28 HydrophobicContact CB-CH2 3.86Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 HydrophobicContact CB-CG2 4.49Å; W28-I40 WeakPolarHBondContact O-CB 3.33Å; W28-I40 PolarHBondContact O-N 3.22Å; W28-G41 PolarHBondContact N-O 2.63Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.02Å; W28-A71 HydrophobicContact CZ2-CB 4.4Å; W28-M73 HydrophobicContact CB-SD 3.81Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.19Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.03Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.65Å; W28-M73 HydrophobicContact CE3-SD 4.12Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 3.92Å; W28-M73 HydrophobicContact CH2-CB 4.12Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.16Å; W28-M73 HydrophobicContact CZ3-CE 4.18Å; W28-Y87 WeakPolarHBondContact CA-O 3.39Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å
29	V	97.5	Very high	94.1	Very high	3 Å²	3	52 Å²	52	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	137.4	-173.4	-176.7	0	0	0	0	109.5	L37 E38 Y86 Y87 W104	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.9Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.5Å; V29-E38 WeakPolarHBondContact CA-O 3.38Å; V29-E38 WeakPolarHBondContact CG1-O 3.43Å; V29-Y86 CarbonylContact O-C 3.53Å; V29-Y86 WeakPolarHBondContact O-CA 3.43Å; V29-Y87 PolarHBondContact N-O 2.65Å; V29-Y87 PolarHBondContact O-N 2.8Å; V29-W104 HydrophobicContact CB-CH2 4.1Å; V29-W104 HydrophobicContact CB-CZ3 3.83Å; V29-W104 HydrophobicContact CG1-CH2 4.05Å; V29-W104 HydrophobicContact CG1-CZ3 4.04Å; V29-W104 HydrophobicContact CG2-CH2 3.77Å; V29-W104 HydrophobicContact CG2-CZ3 3.87Å
30	K	97.2	Very high	94.5	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.3	175.5	-177.7	178.1	-180	177.7	0	109.9	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 2.81Å; K30-E38 PolarHBondContact O-N 2.89Å; K30-I40 HydrophobicContact CB-CD1 3.93Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; K30-F56 HydrophobicContact CD-CE1 3.92Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; K30-E81 PolarHBondContact NZ-O 2.81Å; K30-D82 IonicContact NZ-OD1 3.57Å; K30-D82 PolarHBondContact NZ-OD1 2.97Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.55Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 WeakPolarHBondContact CE-OH 3.01Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å
31	Q	97.5	Very high	94.7	Very high	69 Å²	69	45 Å²	45	32%	0.322	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	114.7	170.8	-168.2	-177.6	28.8	0	0	110.3	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.91Å; Q31-L37 HydrophobicContact CG-CD2 4.03Å; Q31-A84 WeakPolarHBondContact O-CA 3.43Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; Q31-V85 PolarHBondContact N-O 2.92Å; Q31-V85 PolarHBondContact O-N 2.82Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 3.41Å
32	R	95.6	Very high	94.9	Very high	54 Å²	54	45.6 Å²	45.6	20%	0.204	27%	0.268	C	S	.	.			trans	-86	151.3	171.1	-68.7	177.6	177.7	142.9	-9.3	110.5	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.83Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 2.93Å; R32-E38 IonicContact CZ-OE1 2.74Å; R32-E38 IonicContact NH1-OE1 3.39Å; R32-E38 PolarHBondContact NH1-OE1 2.94Å; R32-E81 VanDerWaalsContact CZ-O 3.28Å; R32-E81 PolarHBondContact NE-O 3.07Å; R32-E81 PolarHBondContact NH2-O 2.89Å; R32-A84 HydrophobicContact CG-CB 4.12Å
33	P	91.9	Very high	95	Very high	117 Å²	117	43 Å²	43	76%	0.76	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	126.8	172.9	-25.2	34.5	0	0	0	111.2	Q35	P33-Q35 PolarHBondContact O-N 2.92Å
34	G	92.8	Very high	95.2	Very high	94 Å²	94	40.7 Å²	40.7	97%	0.969	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	5.1	179.8	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.83Å
35	Q	93.6	Very high	95.5	Very high	99 Å²	99	37.8 Å²	37.8	46%	0.463	22%	0.223	S	C	.	.	S	Bend	trans	-113.5	161.2	176	-57	-171.3	12.6	0	0	111.7	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 2.93Å; P33-Q35 PolarHBondContact O-N 2.92Å
36	G	93.5	Very high	95.6	Very high	56 Å²	56	38.1 Å²	38.1	58%	0.577	23%	0.232	S	C	*	.			trans	-68.6	176	173.5	0	0	0	0	0	113.1
37	L	95.2	Very high	95.7	Very high	95 Å²	95	42.9 Å²	42.9	50%	0.497	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.5	174	-65.1	173.3	0	0	0	110.4	V29 Q31 W104	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.9Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.91Å; Q31-L37 HydrophobicContact CG-CD2 4.03Å; L37-W104 HydrophobicContact CD1-CH2 3.85Å; L37-W104 HydrophobicContact CD1-CZ2 4.32Å; L37-W104 HydrophobicContact CD1-CZ3 4.5Å
38	E	96.1	Very high	95.7	Very high	35 Å²	35	45.4 Å²	45.4	16%	0.164	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.6	174.6	-64.9	-170.1	-90.6	0	0	109.6	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.5Å; V29-E38 WeakPolarHBondContact CA-O 3.38Å; V29-E38 WeakPolarHBondContact CG1-O 3.43Å; K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 2.81Å; K30-E38 PolarHBondContact O-N 2.89Å; R32-E38 IonicContact CZ-OE1 2.74Å; R32-E38 IonicContact NH1-OE1 3.39Å; R32-E38 PolarHBondContact NH1-OE1 2.94Å; E38-I40 PolarHBondContact O-N 2.82Å; E38-K55 IonicContact OE2-NZ 2.68Å; E38-F56 HydrophobicContact CB-CE2 4.45Å; E38-F56 HydrophobicContact CB-CZ 4.37Å
39	W	96.2	Very high	95.6	Very high	69 Å²	69	51.4 Å²	51.4	26%	0.261	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.7	175.4	-179.3	72.9	0	0	0	110.7	H27 G41 E42 N53	H27-W39 AromaticContact ND1-NE1 3.3Å; H27-W39 PolarHBondContact ND1-NE1 2.84Å; W39-G41 PolarHBondContact NE1-O 3.17Å; W39-G41 VanDerWaalsContact NE1-O 3.08Å; W39-E42 HydrophobicContact CH2-CG 4.44Å; W39-E42 HydrophobicContact CZ2-CB 3.9Å; W39-E42 HydrophobicContact CZ2-CG 3.73Å; W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 3.97Å; W39-N53 VanDerWaalsContact O-CB 3.22Å; W39-N53 WeakPolarHBondContact O-CB 3.42Å; W39-N53 PolarHBondContact O-ND2 2.81Å
40	I	97.5	Very high	95.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-49.6	-178.9	-68.8	163.3	0	0	0	110.6	W28 K30 E38 N53 F56 S60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 HydrophobicContact CB-CG2 4.49Å; W28-I40 WeakPolarHBondContact O-CB 3.33Å; W28-I40 PolarHBondContact O-N 3.22Å; K30-I40 HydrophobicContact CB-CD1 3.93Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; E38-I40 PolarHBondContact O-N 2.82Å; I40-N53 WeakPolarHBondContact O-CB 3.49Å; I40-N53 PolarHBondContact O-N 2.85Å; I40-F56 HydrophobicContact CB-CD2 4.24Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 3.93Å; I40-F56 HydrophobicContact CG1-CD2 4.02Å; I40-F56 HydrophobicContact CG1-CE1 3.93Å; I40-F56 HydrophobicContact CG1-CE2 4.01Å; I40-F56 HydrophobicContact CG1-CG 3.97Å; I40-F56 HydrophobicContact CG1-CZ 3.96Å; I40-F56 HydrophobicContact CG2-CB 3.79Å; I40-F56 HydrophobicContact CG2-CD1 4.34Å; I40-F56 HydrophobicContact CG2-CD2 4.43Å; I40-F56 HydrophobicContact CG2-CG 3.95Å; I40-S60 WeakPolarHBondContact CG2-OG 3.36Å; I40-M73 HydrophobicContact CD1-CE 4.02Å; I40-M73 HydrophobicContact CD1-SD 3.75Å; I40-M73 HydrophobicContact CG2-SD 3.97Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.91Å
41	G	96.6	Very high	95.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	179.3	-171.2	0	0	0	0	0	112	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.33Å; W28-G41 PolarHBondContact N-O 2.63Å; W39-G41 PolarHBondContact NE1-O 3.17Å; W39-G41 VanDerWaalsContact NE1-O 3.08Å; G41-N51 CarbonylContact C-O 3.55Å; G41-N51 WeakPolarHBondContact CA-O 2.94Å
42	E	95.9	Very high	95.5	Very high	18 Å²	18	55.3 Å²	55.3	8%	0.084	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.5	178.8	65.2	-169.8	159.4	0	0	110.5	W25 M26 H27 W39 T50 N51	W25-E42 HydrophobicContact CE3-CB 4Å; W25-E42 HydrophobicContact CE3-CG 3.43Å; W25-E42 VanDerWaalsContact CE3-CG 3.43Å; W25-E42 VanDerWaalsContact CE3-OE2 3.26Å; W25-E42 HydrophobicContact CZ3-CG 3.54Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.22Å; M26-E42 CarbonylContact O-C 3.49Å; M26-E42 VanDerWaalsContact O-CA 3.22Å; M26-E42 WeakPolarHBondContact O-CA 3.35Å; H27-E42 IonicContact CE1-OE2 3.7Å; H27-E42 PolarHBondContact CE1-OE2 3.4Å; H27-E42 WeakPolarHBondContact ND1-CB 3.49Å; H27-E42 IonicContact ND1-OE2 3.99Å; H27-E42 PolarHBondContact ND1-OE2 3.45Å; H27-E42 IonicContact NE2-OE2 3.2Å; W39-E42 HydrophobicContact CH2-CG 4.44Å; W39-E42 HydrophobicContact CZ2-CB 3.9Å; W39-E42 HydrophobicContact CZ2-CG 3.73Å; E42-T50 WeakPolarHBondContact O-CA 3.2Å; E42-N51 HydrophobicContact CG-CB 3.83Å; E42-N51 PolarHBondContact N-O 3.49Å; E42-N51 PolarHBondContact O-N 3.09Å; E42-N51 PolarHBondContact OE1-ND2 2.79Å
43	I	96.4	Very high	95.5	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	132.3	174.1	-174.2	159.1	0	0	0	109.3	M26 P45 Y49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.08Å; M26-I43 PolarHBondContact N-O 2.87Å; M26-I43 PolarHBondContact O-N 3.13Å; I43-P45 WeakPolarHBondContact O-CD 3.12Å; I43-Y49 CarbonylContact C-O 3.58Å; I43-Y49 VanDerWaalsContact CA-O 3.31Å; I43-Y49 WeakPolarHBondContact CA-O 3.44Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.59Å; I43-T50 HydrophobicContact CG1-CG2 3.7Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.13Å; I43-L62 HydrophobicContact CG2-CB 4.43Å; I43-V64 HydrophobicContact CD1-CB 4.47Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.24Å; I43-V64 HydrophobicContact CG1-CG1 3.95Å; I43-V64 HydrophobicContact CG2-CG1 3.87Å
44	D	95.4	Very high	95.7	Very high	20 Å²	20	56 Å²	56	11%	0.107	32%	0.319	C	S	.	.			trans	-83.1	114.2	168.4	-170	-30.5	0	0	0	108.5	W25 S46 D47 S48 Y49	W25-D44 HydrophobicContact CD2-CB 4.02Å; W25-D44 HydrophobicContact CE3-CB 4.49Å; W25-D44 HydrophobicContact CG-CB 4.42Å; W25-D44 HydrophobicContact CH2-CB 4.47Å; W25-D44 HydrophobicContact CZ2-CB 3.93Å; W25-D44 PolarHBondContact NE1-OD2 2.68Å; D44-S46 PolarHBondContact O-N 3.44Å; D44-S46 WeakPolarHBondContact OD1-CB 3.2Å; D44-S46 PolarHBondContact OD1-N 3.2Å; D44-S46 PolarHBondContact OD1-OG 2.9Å; D44-S46 PolarHBondContact OD2-OG 2.75Å; D44-D47 WeakPolarHBondContact CB-OD1 3.22Å; D44-S48 WeakPolarHBondContact O-CA 3.27Å; D44-S48 PolarHBondContact O-N 2.89Å; D44-Y49 PolarHBondContact N-O 3.37Å
45	P	95.4	Very high	95.7	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.5	-179.9	-15.7	31.3	0	0	0	113.8	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.44Å; F21-P45 HydrophobicContact CD2-CB 4.5Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.56Å; F21-P45 HydrophobicContact CE1-CG 4.08Å; F21-P45 HydrophobicContact CE2-CB 4.25Å; F21-P45 HydrophobicContact CE2-CG 3.84Å; F21-P45 HydrophobicContact CG-CB 4.33Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.76Å; Y24-P45 WeakPolarHBondContact O-CD 3.11Å; Y24-P45 WeakPolarHBondContact O-CG 3.3Å; I43-P45 WeakPolarHBondContact O-CD 3.12Å; P45-V64 HydrophobicContact CB-CB 4.47Å; P45-V64 HydrophobicContact CB-CG1 4.02Å; P45-V64 HydrophobicContact CG-CG1 4.27Å; P45-K66 WeakPolarHBondContact O-CD 3.41Å; P45-K66 WeakPolarHBondContact O-CE 3.41Å
46	S	94.9	Very high	95.8	Very high	53 Å²	53	54.8 Å²	54.8	37%	0.371	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-43.4	179.6	72.8	0	0	0	0	112.8	T22 D44 K66	T22-S46 WeakPolarHBondContact O-CB 3.31Å; D44-S46 PolarHBondContact O-N 3.44Å; D44-S46 WeakPolarHBondContact OD1-CB 3.2Å; D44-S46 PolarHBondContact OD1-N 3.2Å; D44-S46 PolarHBondContact OD1-OG 2.9Å; D44-S46 PolarHBondContact OD2-OG 2.75Å; S46-K66 PolarHBondContact O-NZ 2.92Å
47	D	95.9	Very high	95.7	Very high	105 Å²	105	58.6 Å²	58.6	56%	0.561	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	1.2	-176	67.2	2.1	0	0	0	113.6	D44 Y49	D44-D47 WeakPolarHBondContact CB-OD1 3.22Å; D47-Y49 PolarHBondContact O-N 2.94Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.31Å; D47-Y49 PolarHBondContact OD1-N 3.26Å
48	S	96.1	Very high	95.6	Very high	59 Å²	59	57.6 Å²	57.6	41%	0.413	30%	0.298	S	S	.	.			trans	64.3	18.7	-177.1	-51.8	0	0	0	0	113.9	D44 T50	D44-S48 WeakPolarHBondContact O-CA 3.27Å; D44-S48 PolarHBondContact O-N 2.89Å; S48-T50 PolarHBondContact O-N 3.12Å
49	Y	96.8	Very high	95.5	Very high	130 Å²	130	58.2 Å²	58.2	51%	0.51	30%	0.3	S	S	.	.			trans	-61.1	136.7	171.9	-179.9	-94.2	0	0	0	110.2	W25 I43 D44 D47 N51	W25-Y49 AromaticContact CH2-CD1 3.44Å; W25-Y49 HydrophobicContact CH2-CD1 3.44Å; W25-Y49 VanDerWaalsContact CH2-CD1 3.44Å; W25-Y49 AromaticContact CH2-CE1 3.77Å; W25-Y49 HydrophobicContact CH2-CE1 3.77Å; W25-Y49 HydrophobicContact CZ2-CD1 4.34Å; W25-Y49 AromaticContact CZ3-CD1 3.94Å; W25-Y49 HydrophobicContact CZ3-CD1 3.94Å; W25-Y49 HydrophobicContact CZ3-CE1 4.21Å; I43-Y49 CarbonylContact C-O 3.58Å; I43-Y49 VanDerWaalsContact CA-O 3.31Å; I43-Y49 WeakPolarHBondContact CA-O 3.44Å; D44-Y49 PolarHBondContact N-O 3.37Å; D47-Y49 PolarHBondContact O-N 2.94Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.31Å; D47-Y49 PolarHBondContact OD1-N 3.26Å; Y49-N51 HydrophobicContact CE1-CB 4.16Å
50	T	97.1	Very high	95.6	Very high	47 Å²	47	55.1 Å²	55.1	29%	0.288	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142	-179	51.6	0	0	0	0	111.3	E42 I43 S48 Y52 L62	E42-T50 WeakPolarHBondContact O-CA 3.2Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.59Å; I43-T50 HydrophobicContact CG1-CG2 3.7Å; S48-T50 PolarHBondContact O-N 3.12Å; T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.42Å; T50-L62 HydrophobicContact CG2-CB 4.02Å
51	N	96.1	Very high	95.6	Very high	65 Å²	65	58.2 Å²	58.2	35%	0.348	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.9	171.9	-179.4	27	0	0	0	109.1	G41 E42 Y49	G41-N51 CarbonylContact C-O 3.55Å; G41-N51 WeakPolarHBondContact CA-O 2.94Å; E42-N51 HydrophobicContact CG-CB 3.83Å; E42-N51 PolarHBondContact N-O 3.49Å; E42-N51 PolarHBondContact O-N 3.09Å; E42-N51 PolarHBondContact OE1-ND2 2.79Å; Y49-N51 HydrophobicContact CE1-CB 4.16Å
52	Y	97.1	Very high	95.7	Very high	44 Å²	44	58.6 Å²	58.6	17%	0.173	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.6	-170.5	-67.9	-90.8	0	0	0	111	T50 S60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.42Å; Y52-S60 WeakPolarHBondContact CE1-O 3.48Å; Y52-S60 WeakPolarHBondContact CE1-OG 3.43Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.47Å
53	N	96.2	Very high	95.8	Very high	45 Å²	45	60.7 Å²	60.7	24%	0.241	32%	0.324	C	S	.	.			trans	-68.5	132.9	156.4	-177.9	-22.7	0	0	0	109	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 3.97Å; W39-N53 VanDerWaalsContact O-CB 3.22Å; W39-N53 WeakPolarHBondContact O-CB 3.42Å; W39-N53 PolarHBondContact O-ND2 2.81Å; I40-N53 WeakPolarHBondContact O-CB 3.49Å; I40-N53 PolarHBondContact O-N 2.85Å; N53-K55 PolarHBondContact O-N 2.82Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.84Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 3.02Å; N53-K57 PolarHBondContact O-N 3.04Å
54	Q	94.9	Very high	95.8	Very high	141 Å²	141	61.9 Å²	61.9	66%	0.659	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.9	-177.4	-64.8	-62.3	-17.8	0	0	112.9	F56 K57	Q54-F56 PolarHBondContact O-N 3.15Å; Q54-K57 PolarHBondContact O-N 2.84Å
55	K	93.1	Very high	95.9	Very high	155 Å²	155	63.5 Å²	63.5	67%	0.674	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.8	177.2	-69.2	-175.3	179.1	-178.8	0	113.9	E38 N53	E38-K55 IonicContact OE2-NZ 2.68Å; N53-K55 PolarHBondContact O-N 2.82Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.84Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å
56	F	94.8	Very high	95.9	Very high	12 Å²	12	68.3 Å²	68.3	5%	0.053	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-6.1	-175.3	-61.9	-83.5	0	0	0	112.8	K30 E38 I40 N53 Q54 G58 K59 S60	K30-F56 HydrophobicContact CD-CE1 3.92Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; E38-F56 HydrophobicContact CB-CE2 4.45Å; E38-F56 HydrophobicContact CB-CZ 4.37Å; I40-F56 HydrophobicContact CB-CD2 4.24Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 3.93Å; I40-F56 HydrophobicContact CG1-CD2 4.02Å; I40-F56 HydrophobicContact CG1-CE1 3.93Å; I40-F56 HydrophobicContact CG1-CE2 4.01Å; I40-F56 HydrophobicContact CG1-CG 3.97Å; I40-F56 HydrophobicContact CG1-CZ 3.96Å; I40-F56 HydrophobicContact CG2-CB 3.79Å; I40-F56 HydrophobicContact CG2-CD1 4.34Å; I40-F56 HydrophobicContact CG2-CD2 4.43Å; I40-F56 HydrophobicContact CG2-CG 3.95Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 3.02Å; Q54-F56 PolarHBondContact O-N 3.15Å; F56-G58 PolarHBondContact O-N 2.89Å; F56-K59 WeakPolarHBondContact O-CB 3.46Å; F56-K59 PolarHBondContact O-N 2.95Å; F56-S60 PolarHBondContact O-N 3.11Å; F56-S60 PolarHBondContact O-OG 2.89Å; F56-S60 VanDerWaalsContact O-OG 3.09Å
57	K	92.3	Very high	95.9	Very high	136 Å²	136	71 Å²	71	59%	0.591	38%	0.38	S	S	*	.	B	Isolated β-bridge	trans	-60.5	122.8	175.8	-165.7	173.6	-176.9	179.2	0	109.5	N53 Q54 K59	N53-K57 PolarHBondContact O-N 3.04Å; Q54-K57 PolarHBondContact O-N 2.84Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.95Å
58	G	92.1	Very high	96	Very high	73 Å²	73	67.8 Å²	67.8	75%	0.753	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-21.2	-175.1	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 2.89Å
59	K	95.3	Very high	96	Very high	48 Å²	48	67 Å²	67	21%	0.209	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-39.5	171.6	-170.7	84.4	177.2	-165.4	0	111.5	F56 K57 L75 S76 S77 D82	F56-K59 WeakPolarHBondContact O-CB 3.46Å; F56-K59 PolarHBondContact O-N 2.95Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.95Å; K59-L75 WeakPolarHBondContact O-CA 3.33Å; K59-S76 WeakPolarHBondContact CD-O 3.36Å; K59-S76 WeakPolarHBondContact CE-O 3.48Å; K59-S76 PolarHBondContact O-N 3.37Å; K59-S77 PolarHBondContact NZ-O 2.81Å; K59-D82 WeakPolarHBondContact CE-OD2 3.5Å; K59-D82 IonicContact NZ-OD2 3.53Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å
60	S	97	Very high	96	Very high	4 Å²	4	61.1 Å²	61.1	3%	0.028	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140	-179.5	62.5	0	0	0	0	112	I40 Y52 F56 Q74	I40-S60 WeakPolarHBondContact CG2-OG 3.36Å; Y52-S60 WeakPolarHBondContact CE1-O 3.48Å; Y52-S60 WeakPolarHBondContact CE1-OG 3.43Å; F56-S60 PolarHBondContact O-N 3.11Å; F56-S60 PolarHBondContact O-OG 2.89Å; F56-S60 VanDerWaalsContact O-OG 3.09Å; S60-Q74 CarbonylContact C-O 3.58Å; S60-Q74 VanDerWaalsContact CA-O 3.27Å; S60-Q74 WeakPolarHBondContact CA-O 3.27Å
61	T	98.1	Very high	96.1	Very high	66 Å²	66	58.9 Å²	58.9	41%	0.405	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.5	169.6	-58.4	0	0	0	0	109.3	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.34Å; T61-M73 WeakPolarHBondContact O-CA 3.45Å; T61-Q74 PolarHBondContact N-O 2.03Å; T61-Q74 PolarHBondContact O-N 3.22Å
62	L	98.3	Very high	96.2	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.6	177.5	-52.5	-175.6	0	0	0	110.5	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.02Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.13Å; I43-L62 HydrophobicContact CG2-CB 4.43Å; T50-L62 HydrophobicContact CG2-CB 4.02Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.47Å; L62-Y72 WeakPolarHBondContact CA-O 3.24Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.12Å
63	T	98.2	Very high	96.2	Very high	61 Å²	61	56.2 Å²	56.2	37%	0.374	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161.8	176.8	54.9	0	0	0	0	110.5	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.34Å; T63-Y72 PolarHBondContact N-O 2.95Å; T63-Y72 PolarHBondContact O-N 3.08Å
64	V	97.7	Very high	96.3	Very high	27 Å²	27	58 Å²	58	16%	0.164	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.2	176	-71.2	0	0	0	0	110.7	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.27Å; F21-V64 HydrophobicContact CE1-CG1 4.27Å; F21-V64 HydrophobicContact CZ-CB 4.47Å; F21-V64 HydrophobicContact CZ-CG1 4.02Å; I43-V64 HydrophobicContact CD1-CB 4.47Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.24Å; I43-V64 HydrophobicContact CG1-CG1 3.95Å; I43-V64 HydrophobicContact CG2-CG1 3.87Å; P45-V64 HydrophobicContact CB-CB 4.47Å; P45-V64 HydrophobicContact CB-CG1 4.02Å; P45-V64 HydrophobicContact CG-CG1 4.27Å; V64-A71 HydrophobicContact CG1-CB 4.21Å
65	D	97.2	Very high	96.4	Very high	55 Å²	55	51.3 Å²	51.3	29%	0.294	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	107.6	164.3	174.6	8.1	0	0	0	108.4	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 3.19Å; D65-S67 WeakPolarHBondContact OD1-CB 3.09Å; D65-S67 PolarHBondContact OD1-N 3.49Å; D65-S67 PolarHBondContact OD1-OG 3.3Å; D65-S67 PolarHBondContact OD2-OG 2.75Å; D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 PolarHBondContact OD1-N 3.08Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 3.39Å; D65-S69 PolarHBondContact O-N 2.87Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.93Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å
66	K	95.4	Very high	96.6	Very high	101 Å²	101	45.4 Å²	45.4	44%	0.439	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-31.1	-177.5	-54.3	-175	-161.8	-174	0	111.6	T22 P45 S46 S68 S69	T22-K66 HydrophobicContact CG2-CD 4.25Å; T22-K66 HydrophobicContact CG2-CG 4.44Å; P45-K66 WeakPolarHBondContact O-CD 3.41Å; P45-K66 WeakPolarHBondContact O-CE 3.41Å; S46-K66 PolarHBondContact O-NZ 2.92Å; K66-S68 PolarHBondContact O-N 2.74Å; K66-S69 PolarHBondContact O-N 3.09Å
67	S	94.9	Very high	96.7	Very high	110 Å²	110	48.6 Å²	48.6	77%	0.769	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-39	-177.5	72.9	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 3.19Å; D65-S67 WeakPolarHBondContact OD1-CB 3.09Å; D65-S67 PolarHBondContact OD1-N 3.49Å; D65-S67 PolarHBondContact OD1-OG 3.3Å; D65-S67 PolarHBondContact OD2-OG 2.75Å
68	S	96.6	Very high	96.9	Very high	36 Å²	36	42.1 Å²	42.1	25%	0.252	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	1.5	176.8	66	0	0	0	0	113.6	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 PolarHBondContact OD1-N 3.08Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 3.39Å; K66-S68 PolarHBondContact O-N 2.74Å; S68-T70 PolarHBondContact O-N 3.34Å; S68-T70 PolarHBondContact O-OG1 3.18Å; S68-T70 WeakPolarHBondContact OG-CB 3.43Å; S68-T70 PolarHBondContact OG-OG1 3.38Å
69	S	96.6	Very high	97.1	Very high	42 Å²	42	41.4 Å²	41.4	29%	0.294	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	43.8	-174.4	-64.7	0	0	0	0	112.8	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.46Å; A16-S69 PolarHBondContact N-O 2.82Å; F21-S69 VanDerWaalsContact CD1-CA 3.5Å; D65-S69 PolarHBondContact O-N 2.87Å; D65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 3.09Å
70	T	97.7	Very high	97.1	Very high	8 Å²	8	43.2 Å²	43.2	5%	0.049	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.4	-173.3	-56.2	0	0	0	0	111.1	C14 K15 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 2.98Å; K15-T70 HydrophobicContact CB-CG2 4.48Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.93Å; S68-T70 PolarHBondContact O-N 3.34Å; S68-T70 PolarHBondContact O-OG1 3.18Å; S68-T70 WeakPolarHBondContact OG-CB 3.43Å; S68-T70 PolarHBondContact OG-OG1 3.38Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.29Å; T70-Y72 HydrophobicContact CG2-CE1 3.68Å; T70-Y72 HydrophobicContact CG2-CE2 3.7Å
71	A	97.6	Very high	96.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	148	167.1	0	0	0	0	0	109.8	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.38Å; C14-A71 PolarHBondContact N-O 2.95Å; C14-A71 PolarHBondContact O-N 3.02Å; F21-A71 HydrophobicContact CE2-CB 4.36Å; F21-A71 HydrophobicContact CZ-CB 3.98Å; M26-A71 HydrophobicContact CB-CB 4.16Å; M26-A71 HydrophobicContact CG-CB 3.65Å; W28-A71 HydrophobicContact CZ2-CB 4.4Å; V64-A71 HydrophobicContact CG1-CB 4.21Å
72	Y	98.3	Very high	96.8	Very high	52 Å²	52	46.6 Å²	46.6	20%	0.204	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.5	177.2	-56.7	-89.4	0	0	0	111	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.35Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.32Å; L12-Y72 CarbonylContact O-C 3.52Å; L12-Y72 WeakPolarHBondContact O-CA 3.07Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å; L62-Y72 WeakPolarHBondContact CA-O 3.24Å; T63-Y72 PolarHBondContact N-O 2.95Å; T63-Y72 PolarHBondContact O-N 3.08Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.29Å; T70-Y72 HydrophobicContact CG2-CE1 3.68Å; T70-Y72 HydrophobicContact CG2-CE2 3.7Å
73	M	98.3	Very high	96.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.5	167.6	176	176.9	69.6	0	0	108.7	L12 W28 I40 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 PolarHBondContact N-O 3.39Å; L12-M73 PolarHBondContact O-N 2.97Å; W28-M73 HydrophobicContact CB-SD 3.81Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.19Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.03Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.65Å; W28-M73 HydrophobicContact CE3-SD 4.12Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 3.92Å; W28-M73 HydrophobicContact CH2-CB 4.12Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.16Å; W28-M73 HydrophobicContact CZ3-CE 4.18Å; I40-M73 HydrophobicContact CD1-CE 4.02Å; I40-M73 HydrophobicContact CD1-SD 3.75Å; I40-M73 HydrophobicContact CG2-SD 3.97Å; T61-M73 WeakPolarHBondContact O-CA 3.45Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.12Å; M73-L75 HydrophobicContact CE-CD1 3.97Å; M73-L75 HydrophobicContact CE-CD2 4.16Å; M73-L75 HydrophobicContact CE-CG 4.03Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.36Å; M73-L75 HydrophobicContact SD-CD2 4.05Å; M73-L75 HydrophobicContact SD-CG 4.41Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.29Å; M73-Y86 HydrophobicContact CE-CG 4.21Å
74	Q	98.1	Very high	96.7	Very high	83 Å²	83	45.1 Å²	45.1	39%	0.388	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125	168.8	-175.8	173.1	5.9	0	0	109	V10 S60 T61	V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 WeakPolarHBondContact O-CA 3.19Å; S60-Q74 CarbonylContact C-O 3.58Å; S60-Q74 VanDerWaalsContact CA-O 3.27Å; S60-Q74 WeakPolarHBondContact CA-O 3.27Å; T61-Q74 PolarHBondContact N-O 2.03Å; T61-Q74 PolarHBondContact O-N 3.22Å
75	L	97.4	Very high	96.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.4	170.2	-62.5	165.9	0	0	0	108.5	S9 V10 K59 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.24Å; S9-L75 VanDerWaalsContact CB-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.22Å; V10-L75 HydrophobicContact CG1-CB 4.14Å; V10-L75 HydrophobicContact CG1-CD1 4.18Å; V10-L75 PolarHBondContact N-O 3.37Å; V10-L75 PolarHBondContact O-N 2.78Å; K59-L75 WeakPolarHBondContact O-CA 3.33Å; M73-L75 HydrophobicContact CE-CD1 3.97Å; M73-L75 HydrophobicContact CE-CD2 4.16Å; M73-L75 HydrophobicContact CE-CG 4.03Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.36Å; M73-L75 HydrophobicContact SD-CD2 4.05Å; M73-L75 HydrophobicContact SD-CG 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CB-CG 4.41Å; L75-L78 HydrophobicContact CD1-CD2 4.21Å; L75-Y86 HydrophobicContact CD1-CD1 4.08Å; L75-Y86 HydrophobicContact CD1-CE1 3.55Å; L75-Y86 HydrophobicContact CD1-CE2 4.1Å
76	S	96.9	Very high	96.8	Very high	30 Å²	30	43.1 Å²	43.1	21%	0.21	25%	0.252	C	S	.	.			trans	-111.5	152.8	-176.5	-57.5	0	0	0	0	112	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.49Å; K59-S76 WeakPolarHBondContact CD-O 3.36Å; K59-S76 WeakPolarHBondContact CE-O 3.48Å; K59-S76 PolarHBondContact O-N 3.37Å; S76-L78 PolarHBondContact O-N 2.96Å
77	S	96.1	Very high	96.9	Very high	79 Å²	79	40.5 Å²	40.5	55%	0.552	24%	0.24	S	C	*	.	S	Bend	trans	51.2	51.6	174.1	-53.4	0	0	0	0	112.7	A8 K59	A8-S77 PolarHBondContact O-N 3.03Å; K59-S77 PolarHBondContact NZ-O 2.81Å
78	L	96.6	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.			trans	-62.3	141.4	-173.1	-71.9	171.8	0	0	0	112.4	V4 G7 A8 V10 L75 S76 D82 V110 V112	V4-L78 HydrophobicContact CG2-CD1 3.61Å; G7-L78 PolarHBondContact N-O 3.03Å; A8-L78 WeakPolarHBondContact O-CB 3.44Å; A8-L78 WeakPolarHBondContact O-CG 3.34Å; A8-L78 PolarHBondContact O-N 3.14Å; V10-L78 HydrophobicContact CB-CD1 4.1Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CB-CG 4.41Å; L75-L78 HydrophobicContact CD1-CD2 4.21Å; S76-L78 PolarHBondContact O-N 2.96Å; L78-D82 WeakPolarHBondContact CA-OD2 3.47Å; L78-D82 HydrophobicContact CD2-CB 3.54Å; L78-V110 HydrophobicContact CD1-CG1 4.46Å; L78-V112 HydrophobicContact CB-CG1 4.32Å; L78-V112 HydrophobicContact CB-CG2 3.99Å; L78-V112 HydrophobicContact CD1-CG2 4.43Å
79	T	96.3	Very high	96.9	Very high	59 Å²	59	34.3 Å²	34.3	36%	0.362	20%	0.196	S	C	.	.			trans	-119.7	170.4	173.6	65.8	0	0	0	0	110.2	E81 D82 V112	T79-E81 PolarHBondContact O-N 2.86Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-D82 PolarHBondContact N-OD2 2.97Å; T79-D82 WeakPolarHBondContact O-CA 3.18Å; T79-D82 WeakPolarHBondContact O-CB 3.28Å; T79-D82 PolarHBondContact O-N 2.92Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; T79-V112 WeakPolarHBondContact O-CB 3.04Å; T79-V112 WeakPolarHBondContact O-CG2 3.41Å
80	S	95.1	Very high	96.6	Very high	86 Å²	86	33.5 Å²	33.5	60%	0.601	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-54.2	-32.8	176.1	52.8	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 2.84Å; S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.47Å; S80-S83 PolarHBondContact O-N 3.01Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.46Å
81	E	93.6	Very high	95.8	Very high	130 Å²	130	36.5 Å²	36.5	61%	0.607	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-67.1	-13.2	175.6	-60.5	-172.9	179.6	0	0	114.3	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.81Å; R32-E81 VanDerWaalsContact CZ-O 3.28Å; R32-E81 PolarHBondContact NE-O 3.07Å; R32-E81 PolarHBondContact NH2-O 2.89Å; T79-E81 PolarHBondContact O-N 2.86Å; T79-E81 VanDerWaalsContact O-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.32Å
82	D	95.9	Very high	94.4	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.059	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-86.4	-4.7	173.8	-62.3	-48.2	0	0	0	113.3	K30 K59 L78 T79 S80 A84 Y86 V112	K30-D82 IonicContact NZ-OD1 3.57Å; K30-D82 PolarHBondContact NZ-OD1 2.97Å; K59-D82 WeakPolarHBondContact CE-OD2 3.5Å; K59-D82 IonicContact NZ-OD2 3.53Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å; L78-D82 WeakPolarHBondContact CA-OD2 3.47Å; L78-D82 HydrophobicContact CD2-CB 3.54Å; T79-D82 PolarHBondContact N-OD2 2.97Å; T79-D82 WeakPolarHBondContact O-CA 3.18Å; T79-D82 WeakPolarHBondContact O-CB 3.28Å; T79-D82 PolarHBondContact O-N 2.92Å; T79-D82 PolarHBondContact OG1-OD2 2.85Å; S80-D82 PolarHBondContact O-N 2.84Å; D82-A84 PolarHBondContact O-N 2.88Å; D82-A84 VanDerWaalsContact O-N 3.14Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 2.79Å; D82-V112 HydrophobicContact CB-CG2 4.35Å
83	S	97.4	Very high	92.8	Very high	35 Å²	35	41.8 Å²	41.8	25%	0.245	22%	0.221	C	C	.	.			trans	-64.6	114.1	172.4	-57.3	0	0	0	0	110.5	S80 E81 V110 V112	S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.47Å; S80-S83 PolarHBondContact O-N 3.01Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.46Å; E81-S83 VanDerWaalsContact C-N 3.32Å; S83-V110 CarbonylContact C-O 3.59Å; S83-V110 VanDerWaalsContact CA-O 3.26Å; S83-V110 WeakPolarHBondContact CA-O 3.46Å; S83-V112 PolarHBondContact OG-N 2.86Å
84	A	97.7	Very high	91	Very high	2 Å²	2	44 Å²	44	2%	0.017	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	167.9	-172.1	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 3.43Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; R32-A84 HydrophobicContact CG-CB 4.12Å; D82-A84 PolarHBondContact O-N 2.88Å; D82-A84 VanDerWaalsContact O-N 3.14Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-V110 PolarHBondContact N-O 3.29Å; A84-V110 PolarHBondContact O-N 3.48Å
85	V	98.3	Very high	89	Confident	38 Å²	38	48 Å²	48	23%	0.23	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.4	161.8	-171.2	0	0	0	0	108.4	Q31 Y87 L109	Q31-V85 PolarHBondContact N-O 2.92Å; Q31-V85 PolarHBondContact O-N 2.82Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD1 4.38Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.19Å; V85-L109 HydrophobicContact CG2-CB 4.5Å; V85-L109 HydrophobicContact CG2-CD1 4.13Å
86	Y	98.3	Very high	87.2	Confident	3 Å²	3	57.9 Å²	57.9	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.3	178	-68.2	-90.8	0	0	0	109.8	L12 V29 K30 I40 M73 L75 D82 A84 G107 T108 V110	L12-Y86 VanDerWaalsContact CD1-CB 3.47Å; L12-Y86 HydrophobicContact CD1-CD1 4.48Å; L12-Y86 HydrophobicContact CD1-CD2 4.16Å; L12-Y86 HydrophobicContact CD1-CG 3.79Å; V29-Y86 CarbonylContact O-C 3.53Å; V29-Y86 WeakPolarHBondContact O-CA 3.43Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 WeakPolarHBondContact CE-OH 3.01Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.91Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.29Å; M73-Y86 HydrophobicContact CE-CG 4.21Å; L75-Y86 HydrophobicContact CD1-CD1 4.08Å; L75-Y86 HydrophobicContact CD1-CE1 3.55Å; L75-Y86 HydrophobicContact CD1-CE2 4.1Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 2.79Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G107 CarbonylContact O-C 3.46Å; Y86-G107 VanDerWaalsContact O-CA 3.27Å; Y86-G107 WeakPolarHBondContact O-CA 3.39Å; Y86-T108 PolarHBondContact N-O 3.15Å; Y86-T108 PolarHBondContact O-N 2.99Å; Y86-V110 HydrophobicContact CD2-CB 3.98Å; Y86-V110 HydrophobicContact CD2-CG2 3.7Å; Y86-V110 HydrophobicContact CE2-CB 3.83Å; Y86-V110 HydrophobicContact CE2-CG2 3.99Å
87	Y	97.9	Very high	85.1	Confident	45 Å²	45	59.9 Å²	59.9	18%	0.176	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.5	-179.4	-55.8	-88.4	0	0	0	110.4	W28 V29 Q31 V85 W104	W28-Y87 WeakPolarHBondContact CA-O 3.39Å; V29-Y87 PolarHBondContact N-O 2.65Å; V29-Y87 PolarHBondContact O-N 2.8Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 3.41Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD1 4.38Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.19Å; Y87-W104 HydrophobicContact CD1-CE3 4.49Å; Y87-W104 HydrophobicContact CG-CE3 4.08Å; Y87-W104 HydrophobicContact CG-CZ3 4.24Å
88	C	96.6	Very high	83.2	Confident	15 Å²	15	61.1 Å²	61.1	10%	0.101	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	147.5	157.7	61.9	0	0	0	0	109.5	C14 M26 H27 W28 G105	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.22Å; M26-C88 HydrophobicContact SD-CB 3.77Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 WeakPolarHBondContact O-CA 3.16Å; W28-C88 HydrophobicContact CD2-CB 4.42Å; W28-C88 HydrophobicContact CE3-CB 4.25Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å; C88-G105 PolarHBondContact O-N 2.6Å
89	A	95.1	Very high	81.5	Confident	1 Å²	1	63 Å²	63	1%	0.008	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140	177.1	0	0	0	0	0	111.4	H27 F101 Y103 W104	H27-A89 HydrophobicContact CB-CB 4.48Å; H27-A89 PolarHBondContact N-O 2.9Å; H27-A89 PolarHBondContact O-N 2.86Å; A89-F101 HydrophobicContact CB-CB 4.1Å; A89-F101 HydrophobicContact CB-CD1 4.03Å; A89-F101 HydrophobicContact CB-CG 4.08Å; A89-Y103 CarbonylContact C-O 3.58Å; A89-Y103 VanDerWaalsContact CA-O 3.22Å; A89-Y103 WeakPolarHBondContact CA-O 3.33Å; A89-W104 HydrophobicContact CB-CD2 3.77Å; A89-W104 HydrophobicContact CB-CE3 3.92Å; A89-W104 HydrophobicContact CB-CG 4.26Å; A89-W104 HydrophobicContact CB-CH2 4.34Å; A89-W104 HydrophobicContact CB-CZ2 4.22Å; A89-W104 HydrophobicContact CB-CZ3 4.2Å
90	R	90.7	Very high	80.2	Confident	26 Å²	26	68.9 Å²	68.9	10%	0.098	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.2	173.2	-168.7	-173	82.5	-177.1	9.7	109.2	Y19 Y24 D92 A102 Y103	Y19-R90 HydrophobicContact CE2-CG 4.42Å; Y19-R90 VanDerWaalsContact CZ-CD 3.49Å; Y24-R90 HydrophobicContact CD1-CG 4.37Å; Y24-R90 HydrophobicContact CG-CG 4.01Å; R90-D92 IonicContact NH2-OD2 3.45Å; R90-A102 PolarHBondContact O-N 3.31Å; R90-A102 VanDerWaalsContact O-N 3.15Å; R90-Y103 VanDerWaalsContact CZ-CD2 3.4Å; R90-Y103 PolarHBondContact N-O 3.08Å
91	R	78.9	Confident	79.3	Confident	71 Å²	71	68.5 Å²	68.5	27%	0.268	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.1	168.1	175	178.7	-176.4	163.8	10	109.9	Y24 W25 H27 A99	Y24-R91 VanDerWaalsContact CD1-O 3.24Å; Y24-R91 WeakPolarHBondContact CD1-O 3.48Å; W25-R91 PolarHBondContact O-N 2.83Å; H27-R91 WeakPolarHBondContact NE2-CB 3.16Å; R91-A99 HydrophobicContact CG-CB 4.09Å; R91-A99 VanDerWaalsContact CZ-CB 3.45Å
92	D	69.4	Low	78.5	Confident	48 Å²	48	64.6 Å²	64.6	26%	0.257	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.4	169.5	-150.1	-25.5	0	0	0	109.9	R90 S94 W100 A102	R90-D92 IonicContact NH2-OD2 3.45Å; D92-S94 PolarHBondContact O-N 3.33Å; D92-W100 PolarHBondContact N-O 3Å; D92-A102 HydrophobicContact CB-CB 3.52Å
93	Y	64.9	Low	78.1	Confident	115 Å²	115	70.5 Å²	70.5	45%	0.451	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	97.4	172.4	-71.1	-85.5	0	0	0	106.8
94	S	60.3	Low	78	Confident	46 Å²	46	73.6 Å²	73.6	32%	0.322	36%	0.362	S	S	.	.			trans	-65.7	144.4	167	72.8	0	0	0	0	109.2	D92 Y96 G97 L98	D92-S94 PolarHBondContact O-N 3.33Å; S94-Y96 PolarHBondContact O-N 2.88Å; S94-G97 PolarHBondContact O-N 3.48Å; S94-G97 VanDerWaalsContact O-N 3.07Å; S94-L98 PolarHBondContact OG-N 3.13Å; S94-L98 PolarHBondContact OG-O 3.35Å
95	N	54.9	Low	77.8	Confident	168 Å²	168	74.8 Å²	74.8	90%	0.898	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-5	174.1	-72.7	-28.8	0	0	0	113.7
96	Y	60.5	Low	77.7	Confident	207 Å²	207	82.1 Å²	82.1	81%	0.812	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	9.9	179.4	-57.7	-73.6	0	0	0	113.3	S94 L98	S94-Y96 PolarHBondContact O-N 2.88Å; Y96-L98 PolarHBondContact O-N 3.29Å
97	G	52.2	Low	77.6	Confident	72 Å²	72	83.2 Å²	83.2	74%	0.742	42%	0.419	S	S	*	.	S	Bend	trans	76	-0.6	174	0	0	0	0	0	115.3	S94	S94-G97 PolarHBondContact O-N 3.48Å; S94-G97 VanDerWaalsContact O-N 3.07Å
98	L	55.8	Low	77.6	Confident	106 Å²	106	83.2 Å²	83.2	56%	0.555	42%	0.424	S	S	*	.			trans	-92.1	116.3	173.4	-61.8	175.7	0	0	0	109.5	S94 Y96	S94-L98 PolarHBondContact OG-N 3.13Å; S94-L98 PolarHBondContact OG-O 3.35Å; Y96-L98 PolarHBondContact O-N 3.29Å
99	A	62.1	Low	77.6	Confident	38 Å²	38	86.3 Å²	86.3	31%	0.314	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125	177.6	0	0	0	0	0	111.2	R91	R91-A99 HydrophobicContact CG-CB 4.09Å; R91-A99 VanDerWaalsContact CZ-CB 3.45Å
100	W	68.5	Low	77.8	Confident	183 Å²	183	86.3 Å²	86.3	69%	0.693	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.3	177.6	-56.7	91	0	0	0	110.3	D92 A102	D92-W100 PolarHBondContact N-O 3Å; W100-A102 VanDerWaalsContact C-N 3.35Å; W100-A102 PolarHBondContact O-N 2.98Å
101	F	77.1	Confident	78.1	Confident	79 Å²	79	87.5 Å²	87.5	35%	0.346	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	89.6	169	-61.8	-45.4	0	0	0	109.5	H27 A89 W104	H27-F101 HydrophobicContact CB-CD1 4.33Å; H27-F101 HydrophobicContact CB-CE1 3.7Å; H27-F101 HydrophobicContact CB-CZ 4.19Å; H27-F101 AromaticContact CD2-CE1 3.53Å; H27-F101 AromaticContact CE1-CE1 3.59Å; H27-F101 AromaticContact CG-CE1 3.25Å; H27-F101 AromaticContact CG-CZ 3.96Å; H27-F101 AromaticContact ND1-CE1 3.31Å; H27-F101 VanDerWaalsContact ND1-CE1 3.31Å; H27-F101 WeakPolarHBondContact ND1-CE1 3.47Å; H27-F101 AromaticContact ND1-CZ 3.72Å; H27-F101 AromaticContact NE2-CE1 3.74Å; A89-F101 HydrophobicContact CB-CB 4.1Å; A89-F101 HydrophobicContact CB-CD1 4.03Å; A89-F101 HydrophobicContact CB-CG 4.08Å; F101-W104 HydrophobicContact CB-CZ2 3.66Å; F101-W104 HydrophobicContact CD2-CH2 4.14Å; F101-W104 AromaticContact CD2-CZ2 3.58Å; F101-W104 HydrophobicContact CD2-CZ2 3.58Å; F101-W104 AromaticContact CG-CZ2 3.88Å; F101-W104 HydrophobicContact CG-CZ2 3.88Å; F101-W104 PolarHBondContact O-NE1 3.28Å
102	A	76.3	Confident	78.9	Confident	48 Å²	48	84.5 Å²	84.5	40%	0.397	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-28.8	-173.8	0	0	0	0	0	112.9	R90 D92 W100	R90-A102 PolarHBondContact O-N 3.31Å; R90-A102 VanDerWaalsContact O-N 3.15Å; D92-A102 HydrophobicContact CB-CB 3.52Å; W100-A102 VanDerWaalsContact C-N 3.35Å; W100-A102 PolarHBondContact O-N 2.98Å
103	Y	88.2	Confident	80	Confident	134 Å²	134	87.6 Å²	87.6	53%	0.525	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.3	-176.4	-58.9	-90.5	0	0	0	110.9	A89 R90	A89-Y103 CarbonylContact C-O 3.58Å; A89-Y103 VanDerWaalsContact CA-O 3.22Å; A89-Y103 WeakPolarHBondContact CA-O 3.33Å; R90-Y103 VanDerWaalsContact CZ-CD2 3.4Å; R90-Y103 PolarHBondContact N-O 3.08Å
104	W	93.7	Very high	80.8	Confident	100 Å²	100	86.2 Å²	86.2	38%	0.379	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.8	-178.6	-69.2	75.4	0	0	0	110.4	V29 L37 Y87 A89 F101	V29-W104 HydrophobicContact CB-CH2 4.1Å; V29-W104 HydrophobicContact CB-CZ3 3.83Å; V29-W104 HydrophobicContact CG1-CH2 4.05Å; V29-W104 HydrophobicContact CG1-CZ3 4.04Å; V29-W104 HydrophobicContact CG2-CH2 3.77Å; V29-W104 HydrophobicContact CG2-CZ3 3.87Å; L37-W104 HydrophobicContact CD1-CH2 3.85Å; L37-W104 HydrophobicContact CD1-CZ2 4.32Å; L37-W104 HydrophobicContact CD1-CZ3 4.5Å; Y87-W104 HydrophobicContact CD1-CE3 4.49Å; Y87-W104 HydrophobicContact CG-CE3 4.08Å; Y87-W104 HydrophobicContact CG-CZ3 4.24Å; A89-W104 HydrophobicContact CB-CD2 3.77Å; A89-W104 HydrophobicContact CB-CE3 3.92Å; A89-W104 HydrophobicContact CB-CG 4.26Å; A89-W104 HydrophobicContact CB-CH2 4.34Å; A89-W104 HydrophobicContact CB-CZ2 4.22Å; A89-W104 HydrophobicContact CB-CZ3 4.2Å; F101-W104 HydrophobicContact CB-CZ2 3.66Å; F101-W104 HydrophobicContact CD2-CH2 4.14Å; F101-W104 AromaticContact CD2-CZ2 3.58Å; F101-W104 HydrophobicContact CD2-CZ2 3.58Å; F101-W104 AromaticContact CG-CZ2 3.88Å; F101-W104 HydrophobicContact CG-CZ2 3.88Å; F101-W104 PolarHBondContact O-NE1 3.28Å
105	G	94.6	Very high	81.9	Confident	28 Å²	28	88.3 Å²	88.3	29%	0.289	47%	0.472	S	S	.	.			trans	-68.8	162.9	164.1	0	0	0	0	0	111.2	C88 G107	C88-G105 PolarHBondContact O-N 2.6Å; G105-G107 PolarHBondContact O-N 3.39Å; G105-G107 VanDerWaalsContact O-N 3.09Å
106	Q	95.2	Very high	83.4	Confident	191 Å²	191	83.9 Å²	83.9	89%	0.893	45%	0.448	S	S	*	.			trans	-62.8	-17.1	179.5	-66.5	-64.9	-39.8	0	0	113.7
107	G	96.4	Very high	84.7	Confident	27 Å²	27	76.6 Å²	76.6	28%	0.278	43%	0.427	S	S	.	.			trans	85	149.4	-176.7	0	0	0	0	0	112.6	Y86 G105	Y86-G107 CarbonylContact O-C 3.46Å; Y86-G107 VanDerWaalsContact O-CA 3.27Å; Y86-G107 WeakPolarHBondContact O-CA 3.39Å; G105-G107 PolarHBondContact O-N 3.39Å; G105-G107 VanDerWaalsContact O-N 3.09Å
108	T	97.8	Very high	86.7	Confident	44 Å²	44	76.9 Å²	76.9	27%	0.27	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.9	175.7	-60.6	0	0	0	0	108.8	E2 L12 Y86 V110	E2-T108 HydrophobicContact CG-CG2 4.4Å; L12-T108 HydrophobicContact CD2-CG2 3.97Å; Y86-T108 PolarHBondContact N-O 3.15Å; Y86-T108 PolarHBondContact O-N 2.99Å; T108-V110 PolarHBondContact O-N 3.49Å
109	L	97.8	Very high	88.8	Confident	81 Å²	81	75 Å²	75	42%	0.424	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	123.9	169.1	177.2	64.3	0	0	0	109.3	A1 E2 V85	A1-L109 CarbonylContact C-O 3.39Å; A1-L109 WeakPolarHBondContact CA-O 3.44Å; A1-L109 HydrophobicContact CB-CB 3.99Å; E2-L109 PolarHBondContact N-O 2.65Å; V85-L109 HydrophobicContact CG2-CB 4.5Å; V85-L109 HydrophobicContact CG2-CD1 4.13Å
110	V	97.8	Very high	90.7	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.4	167.4	179.8	0	0	0	0	107.4	E2 V4 V10 L12 L78 S83 A84 Y86 T108	E2-V110 HydrophobicContact CB-CG2 4.32Å; E2-V110 CarbonylContact O-C 3.47Å; E2-V110 WeakPolarHBondContact O-CA 3.4Å; V4-V110 HydrophobicContact CG2-CG1 4.18Å; V10-V110 HydrophobicContact CG1-CG1 4.39Å; V10-V110 HydrophobicContact CG1-CG2 4.47Å; L12-V110 HydrophobicContact CD1-CG2 4.18Å; L12-V110 HydrophobicContact CD2-CG2 3.97Å; L78-V110 HydrophobicContact CD1-CG1 4.46Å; S83-V110 CarbonylContact C-O 3.59Å; S83-V110 VanDerWaalsContact CA-O 3.26Å; S83-V110 WeakPolarHBondContact CA-O 3.46Å; A84-V110 PolarHBondContact N-O 3.29Å; A84-V110 PolarHBondContact O-N 3.48Å; Y86-V110 HydrophobicContact CD2-CB 3.98Å; Y86-V110 HydrophobicContact CD2-CG2 3.7Å; Y86-V110 HydrophobicContact CE2-CB 3.83Å; Y86-V110 HydrophobicContact CE2-CG2 3.99Å; T108-V110 PolarHBondContact O-N 3.49Å
111	T	97.6	Very high	92.4	Very high	51 Å²	51	69.5 Å²	69.5	31%	0.313	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.6	177.3	-58.4	0	0	0	0	109	E2 L3 V4	E2-T111 PolarHBondContact O-N 3.49Å; L3-T111 WeakPolarHBondContact CA-O 3.44Å; L3-T111 HydrophobicContact CD1-CG2 3.76Å; V4-T111 PolarHBondContact N-O 2.63Å
112	V	96.9	Very high	93.7	Very high	8 Å²	8	68.8 Å²	68.8	5%	0.048	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	110.6	178.5	-169.2	0	0	0	0	108.7	V4 P6 L78 T79 D82 S83	V4-V112 HydrophobicContact CG2-CB 4.44Å; V4-V112 HydrophobicContact CG2-CG2 3.87Å; V4-V112 VanDerWaalsContact O-CA 3.31Å; V4-V112 WeakPolarHBondContact O-CA 3.46Å; P6-V112 HydrophobicContact CB-CG1 4.38Å; P6-V112 HydrophobicContact CG-CG1 4.16Å; L78-V112 HydrophobicContact CB-CG1 4.32Å; L78-V112 HydrophobicContact CB-CG2 3.99Å; L78-V112 HydrophobicContact CD1-CG2 4.43Å; T79-V112 WeakPolarHBondContact O-CB 3.04Å; T79-V112 WeakPolarHBondContact O-CG2 3.41Å; D82-V112 HydrophobicContact CB-CG2 4.35Å; S83-V112 PolarHBondContact OG-N 2.86Å
113	S	92.2	Very high	95.3	Very high	113 Å²	113	70.6 Å²	70.6	79%	0.79	38%	0.383	S	S	*	.			trans	-144.6	0	-177.3	67.9	0	0	0	0	112.5	L3 V4	L3-S113 WeakPolarHBondContact CD1-OG 3.3Å; V4-S113 PolarHBondContact O-N 2.97Å

Retrieved 113 of 113 residues in 49.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).