X5J4C6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4C6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 aa.

						>X5J4C6_MOUSE|X5J4C6
AELAKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGYINPSSGYTKYNQKFKDKATLTADKSSSTAYMQLSSLTYEDSAVYYCARDYGSSFDYWGQGTTLTVSS
					

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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	80.8	Confident	94.8	Very high	111 Å²	111	74.4 Å²	74.4	92%	0.917	45%	0.453	S	S	*	.				0	142	0	0	0	0	0	0	107.6	T104	A1-T104 CarbonylContact C-O 3.52Å; A1-T104 WeakPolarHBondContact CA-O 3.31Å
2	E	90.8	Very high	95	Very high	86 Å²	86	68.5 Å²	68.5	40%	0.402	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.5	-176.6	-68.1	-66.8	163	0	0	109.3	V10 L12 T103 T104 L105 T106	E2-V10 HydrophobicContact CB-CG2 4.21Å; E2-V10 HydrophobicContact CG-CG2 4.12Å; E2-L12 HydrophobicContact CG-CD2 3.83Å; E2-T103 HydrophobicContact CG-CG2 4.05Å; E2-T104 PolarHBondContact N-O 3.12Å; E2-L105 HydrophobicContact CB-CD1 3.72Å; E2-L105 WeakPolarHBondContact O-CA 3.31Å; E2-T106 PolarHBondContact O-N 2.67Å
3	L	94.8	Very high	95.2	Very high	127 Å²	127	68.7 Å²	68.7	67%	0.665	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.4	174.5	-177.1	67	0	0	0	108.5	T106 S108	L3-T106 WeakPolarHBondContact CA-O 3.48Å; L3-T106 HydrophobicContact CD1-CG2 4Å; L3-S108 WeakPolarHBondContact CD1-OG 3.42Å
4	A	95.9	Very high	95.3	Very high	14 Å²	14	64.8 Å²	64.8	12%	0.116	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.9	-178.3	0	0	0	0	0	111.4	L78 L105 T106 V107 S108	A4-L78 HydrophobicContact CB-CD1 3.49Å; A4-L78 VanDerWaalsContact CB-CD1 3.49Å; A4-L105 HydrophobicContact CB-CD1 4.16Å; A4-T106 PolarHBondContact N-O 2.89Å; A4-V107 CarbonylContact O-C 3.54Å; A4-V107 VanDerWaalsContact O-CA 3.26Å; A4-V107 WeakPolarHBondContact O-CA 3.43Å; A4-S108 PolarHBondContact O-N 2.76Å
5	K	96.8	Very high	95.4	Very high	135 Å²	135	70.9 Å²	70.9	59%	0.587	42%	0.418	S	S	*	.			trans	-88.7	154.1	171.8	-68.1	-173.3	175	-172.7	0	110.8	G7 A8	K5-G7 PolarHBondContact O-N 3.26Å; K5-A8 WeakPolarHBondContact O-CB 3.32Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.13Å
6	P	97.6	Very high	95.2	Very high	53 Å²	53	67.2 Å²	67.2	34%	0.344	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	140.2	168.8	-24.5	33.3	0	0	0	111.7	A8 L78 Y80 V107	P6-A8 PolarHBondContact O-N 3.01Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.33Å; P6-Y80 HydrophobicContact CG-CD1 4.41Å; P6-Y80 HydrophobicContact CG-CE1 3.71Å; P6-Y80 HydrophobicContact CG-CE2 4.15Å; P6-V107 HydrophobicContact CG-CG1 4.07Å
7	G	96.6	Very high	95	Very high	54 Å²	54	69.2 Å²	69.2	56%	0.557	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-15.3	-176.8	0	0	0	0	0	115	K5 L78	K5-G7 PolarHBondContact O-N 3.26Å; G7-L78 PolarHBondContact N-O 2.78Å
8	A	97.1	Very high	94.7	Very high	38 Å²	38	70.3 Å²	70.3	31%	0.314	44%	0.444	S	S	.	.			trans	-69.7	169.6	176.4	0	0	0	0	0	112	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.32Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.13Å; P6-A8 PolarHBondContact O-N 3.01Å; A8-S77 PolarHBondContact O-N 2.85Å; A8-L78 WeakPolarHBondContact O-CB 3.44Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.3Å; A8-L78 PolarHBondContact O-N 2.98Å
9	S	97.1	Very high	94.4	Very high	68 Å²	68	69.2 Å²	69.2	48%	0.476	43%	0.431	S	S	.	.			trans	-115.6	146.7	168.2	-59.5	0	0	0	0	110	L75	S9-L75 CarbonylContact C-O 3.53Å; S9-L75 WeakPolarHBondContact CA-O 3.14Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å
10	V	97.4	Very high	94.4	Very high	17 Å²	17	70.1 Å²	70.1	10%	0.103	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145	175.2	69.7	0	0	0	0	110	E2 L12 Q74 L75 L78 L105	E2-V10 HydrophobicContact CB-CG2 4.21Å; E2-V10 HydrophobicContact CG-CG2 4.12Å; V10-L12 HydrophobicContact CG1-CD2 4.49Å; V10-L12 HydrophobicContact CG2-CD2 4.09Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.33Å; V10-L75 HydrophobicContact CG1-CB 4.12Å; V10-L75 HydrophobicContact CG1-CD1 4.34Å; V10-L75 PolarHBondContact N-O 3.02Å; V10-L75 PolarHBondContact O-N 3.27Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.89Å; V10-L78 HydrophobicContact CG1-CD2 4.37Å; V10-L105 HydrophobicContact CB-CD1 4.49Å; V10-L105 HydrophobicContact CG1-CD1 4.06Å; V10-L105 HydrophobicContact CG1-CD2 3.83Å; V10-L105 HydrophobicContact CG2-CD1 4.41Å
11	K	97.6	Very high	94.4	Very high	115 Å²	115	67.1 Å²	67.1	50%	0.5	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.3	175.5	-174.1	176.6	179.7	179.4	0	109.5	Y72	K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 VanDerWaalsContact CE-CB 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å
12	L	97.9	Very high	95.1	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.021	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	146.7	174.1	-55	-175.2	0	0	0	109.7	E2 V10 W28 Y72 M73 Y86 T103	E2-L12 HydrophobicContact CG-CD2 3.83Å; V10-L12 HydrophobicContact CG1-CD2 4.49Å; V10-L12 HydrophobicContact CG2-CD2 4.09Å; L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; L12-Y72 CarbonylContact O-C 3.4Å; L12-Y72 WeakPolarHBondContact O-CA 3.34Å; L12-M73 HydrophobicContact CD1-CE 3.72Å; L12-M73 HydrophobicContact CG-CE 4.47Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 3.01Å; L12-Y86 HydrophobicContact CD1-CD1 4.35Å; L12-Y86 HydrophobicContact CD1-CD2 4Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; L12-T103 HydrophobicContact CD2-CG2 4.05Å
13	S	97.4	Very high	95.2	Very high	71 Å²	71	63 Å²	63	50%	0.497	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.6	179.5	69.8	0	0	0	0	111.6	A71 Y72	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å
14	C	96.8	Very high	95.1	Very high	14 Å²	14	59.3 Å²	59.3	10%	0.095	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	104	174.3	178.9	0	0	0	0	108.7	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; C14-T70 WeakPolarHBondContact O-CA 3.46Å; C14-A71 PolarHBondContact N-O 2.93Å; C14-A71 PolarHBondContact O-N 3.08Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.39Å; C14-C88 WeakPolarHBondContact SG-CB 3.26Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.89Å
15	K	96.1	Very high	95.1	Very high	157 Å²	157	63 Å²	63	68%	0.683	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.5	-179.3	-174.1	172.5	-176.6	178.9	0	110.2	T70	K15-T70 HydrophobicContact CB-CG2 4.45Å
16	A	93	Very high	95.1	Very high	11 Å²	11	56.7 Å²	56.7	9%	0.091	35%	0.35	C	S	.	.			trans	-75.5	147.1	173.7	0	0	0	0	0	111.2	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.85Å; A16-Y19 HydrophobicContact CB-CE2 3.94Å; A16-Y19 WeakPolarHBondContact CB-OH 3.41Å; A16-F21 HydrophobicContact CB-CB 4Å; A16-F21 HydrophobicContact CB-CD2 3.47Å; A16-F21 VanDerWaalsContact CB-CD2 3.47Å; A16-F21 HydrophobicContact CB-CE2 4.24Å; A16-F21 HydrophobicContact CB-CG 4Å; A16-S69 WeakPolarHBondContact CB-O 3.42Å; A16-S69 PolarHBondContact N-O 3.3Å
17	S	90.9	Very high	95	Very high	101 Å²	101	54.7 Å²	54.7	71%	0.706	34%	0.336	S	S	*	.			trans	-148.7	143.8	173.4	61.7	0	0	0	0	110.2	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.46Å; S17-Y19 WeakPolarHBondContact O-CE1 3.4Å; S17-Y19 PolarHBondContact O-N 3.24Å
18	G	90	Very high	95.1	Very high	89 Å²	89	52.4 Å²	52.4	92%	0.918	31%	0.311	S	S	*	.	S	Bend	trans	77.6	13.5	176	0	0	0	0	0	116.1
19	Y	89.4	Confident	95.1	Very high	49 Å²	49	50.8 Å²	50.8	19%	0.192	30%	0.297	C	S	.	.	S	Bend	trans	-157.6	164.9	175.1	63.3	-86.4	0	0	0	112.3	A16 S17 F21 Y24 R90	A16-Y19 HydrophobicContact CB-CE1 3.85Å; A16-Y19 HydrophobicContact CB-CE2 3.94Å; A16-Y19 WeakPolarHBondContact CB-OH 3.41Å; S17-Y19 WeakPolarHBondContact O-CD1 3.46Å; S17-Y19 WeakPolarHBondContact O-CE1 3.4Å; S17-Y19 PolarHBondContact O-N 3.24Å; Y19-F21 HydrophobicContact CE2-CD2 4.46Å; Y19-F21 PolarHBondContact O-N 3.49Å; Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.63Å; Y19-Y24 HydrophobicContact CD2-CE2 3.63Å; Y19-Y24 HydrophobicContact CD2-CG 4.28Å; Y19-Y24 AromaticContact CE2-CD2 3.86Å; Y19-Y24 HydrophobicContact CE2-CD2 3.86Å; Y19-Y24 HydrophobicContact CE2-CE2 4.44Å; Y19-Y24 HydrophobicContact CE2-CG 4.3Å; Y19-Y24 HydrophobicContact CG-CD2 4.44Å; Y19-Y24 HydrophobicContact CG-CE2 4.23Å; Y19-R90 HydrophobicContact CE2-CG 4.18Å
20	T	93.5	Very high	95.2	Very high	88 Å²	88	47.6 Å²	47.6	54%	0.54	28%	0.275	S	S	.	.			trans	-70.5	99.3	172.9	-54	0	0	0	0	110.1	T22 S23 Y24	T20-T22 PolarHBondContact O-N 2.75Å; T20-T22 VanDerWaalsContact O-N 3.12Å; T20-S23 WeakPolarHBondContact CB-OG 3.31Å; T20-S23 WeakPolarHBondContact CG2-OG 3.43Å; T20-S23 WeakPolarHBondContact O-CB 3.46Å; T20-S23 PolarHBondContact O-N 2.93Å; T20-Y24 WeakPolarHBondContact O-CD2 3.48Å
21	F	94.4	Very high	95.2	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.031	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-52	-37.6	-173.9	174.8	-124.4	0	0	0	114.3	A16 Y19 S23 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 4Å; A16-F21 HydrophobicContact CB-CD2 3.47Å; A16-F21 VanDerWaalsContact CB-CD2 3.47Å; A16-F21 HydrophobicContact CB-CE2 4.24Å; A16-F21 HydrophobicContact CB-CG 4Å; Y19-F21 HydrophobicContact CE2-CD2 4.46Å; Y19-F21 PolarHBondContact O-N 3.49Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 2.94Å; F21-M26 HydrophobicContact CE2-CE 4.09Å; F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.35Å; F21-P45 HydrophobicContact CD2-CG 4.21Å; F21-P45 HydrophobicContact CE1-CB 3.46Å; F21-P45 VanDerWaalsContact CE1-CB 3.46Å; F21-P45 HydrophobicContact CE1-CG 3.91Å; F21-P45 HydrophobicContact CE2-CB 4.23Å; F21-P45 HydrophobicContact CE2-CG 3.73Å; F21-P45 HydrophobicContact CG-CB 4.42Å; F21-P45 HydrophobicContact CZ-CB 3.66Å; F21-P45 HydrophobicContact CZ-CG 3.57Å; F21-A64 HydrophobicContact CE1-CB 4.13Å; F21-A64 HydrophobicContact CZ-CB 4.1Å; F21-S69 VanDerWaalsContact CD1-CA 3.5Å; F21-A71 HydrophobicContact CE2-CB 4.28Å; F21-A71 HydrophobicContact CZ-CB 3.97Å
22	T	95.1	Very high	95.1	Very high	49 Å²	49	47 Å²	47	30%	0.301	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-75.2	-10.8	-178.4	51.3	0	0	0	0	114.6	T20 Y24 S46 K66	T20-T22 PolarHBondContact O-N 2.75Å; T20-T22 VanDerWaalsContact O-N 3.12Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; T22-S46 WeakPolarHBondContact O-CB 3.42Å; T22-K66 HydrophobicContact CG2-CD 4.41Å; T22-K66 HydrophobicContact CG2-CG 4.1Å
23	S	93.2	Very high	94.8	Very high	63 Å²	63	52.4 Å²	52.4	44%	0.441	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-83.6	-5.6	178.9	-58.9	0	0	0	0	113.8	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.31Å; T20-S23 WeakPolarHBondContact CG2-OG 3.43Å; T20-S23 WeakPolarHBondContact O-CB 3.46Å; T20-S23 PolarHBondContact O-N 2.93Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 2.94Å
24	Y	93.3	Very high	94.6	Very high	48 Å²	48	53.5 Å²	53.5	19%	0.188	33%	0.329	C	S	.	.	S	Bend	trans	-130.1	155.8	-171.9	-63.8	-98	0	0	0	111.5	Y19 T20 T22 P45 R90 D91 Y92	Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.63Å; Y19-Y24 HydrophobicContact CD2-CE2 3.63Å; Y19-Y24 HydrophobicContact CD2-CG 4.28Å; Y19-Y24 AromaticContact CE2-CD2 3.86Å; Y19-Y24 HydrophobicContact CE2-CD2 3.86Å; Y19-Y24 HydrophobicContact CE2-CE2 4.44Å; Y19-Y24 HydrophobicContact CE2-CG 4.3Å; Y19-Y24 HydrophobicContact CG-CD2 4.44Å; Y19-Y24 HydrophobicContact CG-CE2 4.23Å; T20-Y24 WeakPolarHBondContact O-CD2 3.48Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; Y24-P45 WeakPolarHBondContact O-CD 3.26Å; Y24-R90 VanDerWaalsContact CB-CG 3.4Å; Y24-R90 HydrophobicContact CD1-CG 3.5Å; Y24-R90 HydrophobicContact CD2-CG 4.48Å; Y24-R90 HydrophobicContact CE1-CG 4.37Å; Y24-R90 VanDerWaalsContact CG-CD 3.44Å; Y24-R90 HydrophobicContact CG-CG 3.56Å; Y24-D91 WeakPolarHBondContact CA-O 3.49Å; Y24-D91 WeakPolarHBondContact CB-O 3.46Å; Y24-D91 WeakPolarHBondContact CD1-O 3.47Å; Y24-Y92 AromaticContact CD1-CD2 3.81Å; Y24-Y92 HydrophobicContact CD1-CD2 3.81Å; Y24-Y92 HydrophobicContact CD1-CG 4.2Å; Y24-Y92 AromaticContact CE1-CD2 3.63Å; Y24-Y92 HydrophobicContact CE1-CD2 3.63Å; Y24-Y92 AromaticContact CE1-CG 3.89Å; Y24-Y92 HydrophobicContact CE1-CG 3.89Å; Y24-Y92 HydrophobicContact CG-CD2 4.45Å
25	W	95.1	Very high	94.4	Very high	91 Å²	91	57.6 Å²	57.6	35%	0.345	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	143.6	171.5	-63.7	13.9	0	0	0	109.1	Y42 N44 R90 D91	W25-Y42 HydrophobicContact CD2-CD2 4.17Å; W25-Y42 HydrophobicContact CD2-CE2 4.09Å; W25-Y42 AromaticContact CE3-CD1 4Å; W25-Y42 HydrophobicContact CE3-CD1 4Å; W25-Y42 AromaticContact CE3-CD2 3.6Å; W25-Y42 HydrophobicContact CE3-CD2 3.6Å; W25-Y42 AromaticContact CE3-CE1 3.79Å; W25-Y42 HydrophobicContact CE3-CE1 3.79Å; W25-Y42 AromaticContact CE3-CE2 3.38Å; W25-Y42 HydrophobicContact CE3-CE2 3.38Å; W25-Y42 AromaticContact CE3-CG 3.95Å; W25-Y42 HydrophobicContact CE3-CG 3.95Å; W25-Y42 AromaticContact CE3-CZ 3.49Å; W25-Y42 VanDerWaalsContact CE3-CZ 3.49Å; W25-Y42 HydrophobicContact CH2-CE2 4.11Å; W25-Y42 AromaticContact CH2-CZ 3.94Å; W25-Y42 HydrophobicContact CZ3-CD1 4.27Å; W25-Y42 HydrophobicContact CZ3-CD2 4.12Å; W25-Y42 AromaticContact CZ3-CE1 3.59Å; W25-Y42 HydrophobicContact CZ3-CE1 3.59Å; W25-Y42 AromaticContact CZ3-CE2 3.42Å; W25-Y42 HydrophobicContact CZ3-CE2 3.42Å; W25-Y42 VanDerWaalsContact CZ3-CE2 3.42Å; W25-Y42 AromaticContact CZ3-CZ 3.12Å; W25-Y42 WeakPolarHBondContact CZ3-OH 3.24Å; W25-N44 PolarHBondContact NE1-ND2 2.75Å; W25-R90 WeakPolarHBondContact O-CA 3.42Å; W25-D91 HydrophobicContact CB-CB 4.42Å; W25-D91 PolarHBondContact N-O 3.41Å; W25-D91 PolarHBondContact O-N 2.79Å
26	M	96.8	Very high	94.4	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.02	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112	176.3	-171.6	60.8	67.9	0	0	109.9	F21 Y42 I43 A71 C88	F21-M26 HydrophobicContact CE2-CE 4.09Å; M26-Y42 CarbonylContact O-C 3.5Å; M26-Y42 WeakPolarHBondContact O-CA 3.11Å; M26-Y42 WeakPolarHBondContact O-CB 3.49Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.43Å; M26-I43 PolarHBondContact O-N 3Å; M26-A71 HydrophobicContact CB-CB 4.05Å; M26-A71 HydrophobicContact CG-CB 3.58Å; M26-C88 HydrophobicContact CG-CB 4.42Å; M26-C88 HydrophobicContact SD-CB 3.71Å
27	H	97.3	Very high	94.5	Very high	11 Å²	11	56.8 Å²	56.8	5%	0.051	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	148.3	178.5	-67.2	-112.6	0	0	0	110.5	W39 G41 Y42 C88 A89 D91 F96	H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-CD1 3.91Å; H27-W39 AromaticContact ND1-CE2 3.98Å; H27-W39 AromaticContact ND1-NE1 3.12Å; H27-W39 PolarHBondContact ND1-NE1 2.81Å; H27-W39 VanDerWaalsContact ND1-NE1 3.12Å; H27-G41 CarbonylContact C-O 3.54Å; H27-G41 WeakPolarHBondContact CA-O 3.34Å; H27-Y42 AromaticContact CE1-CD1 3.35Å; H27-Y42 WeakPolarHBondContact CE1-CD1 3.43Å; H27-Y42 AromaticContact CE1-CG 3.78Å; H27-Y42 AromaticContact ND1-CD1 3.85Å; H27-Y42 AromaticContact NE2-CD1 3.93Å; H27-Y42 AromaticContact NE2-CG 3.96Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; H27-A89 HydrophobicContact CB-CB 4.4Å; H27-A89 PolarHBondContact N-O 3.19Å; H27-A89 PolarHBondContact O-N 3.42Å; H27-D91 IonicContact NE2-OD2 3.72Å; H27-F96 HydrophobicContact CB-CE1 3.88Å; H27-F96 HydrophobicContact CB-CZ 4.11Å; H27-F96 AromaticContact CD2-CE1 3.52Å; H27-F96 AromaticContact CE1-CE1 3.53Å; H27-F96 AromaticContact CE1-CZ 3.96Å; H27-F96 AromaticContact CG-CE1 3.28Å; H27-F96 AromaticContact CG-CZ 3.73Å; H27-F96 AromaticContact ND1-CE1 3.28Å; H27-F96 VanDerWaalsContact ND1-CE1 3.28Å; H27-F96 WeakPolarHBondContact ND1-CE1 2.92Å; H27-F96 AromaticContact ND1-CZ 3.42Å; H27-F96 WeakPolarHBondContact ND1-CZ 3.31Å; H27-F96 AromaticContact NE2-CE1 3.72Å
28	W	98.1	Very high	94.8	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.019	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136	173.1	-70.1	89.9	0	0	0	110	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.22Å; W28-I40 PolarHBondContact O-N 3.12Å; W28-G41 PolarHBondContact N-O 2.94Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4Å; W28-A71 HydrophobicContact CZ2-CB 4.33Å; W28-M73 HydrophobicContact CB-SD 3.95Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.42Å; W28-M73 HydrophobicContact CD2-CG 4.47Å; W28-M73 HydrophobicContact CD2-SD 4.16Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.87Å; W28-M73 HydrophobicContact CE3-SD 4.2Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 4.08Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.13Å; W28-M73 HydrophobicContact CZ3-CE 4.36Å; W28-Y87 WeakPolarHBondContact CA-O 3.38Å; W28-C88 HydrophobicContact CE3-CB 4.34Å; W28-C88 HydrophobicContact CH2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.31Å
29	V	97.9	Very high	95.1	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135	-173.3	-176.2	0	0	0	0	109.3	L37 E38 Y86 Y87 W99	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; V29-E38 CarbonylContact C-O 3.42Å; V29-E38 WeakPolarHBondContact CA-O 2.97Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.33Å; V29-Y87 PolarHBondContact N-O 2.79Å; V29-Y87 PolarHBondContact O-N 3.36Å; V29-W99 HydrophobicContact CB-CH2 4.15Å; V29-W99 HydrophobicContact CB-CZ3 3.83Å; V29-W99 HydrophobicContact CG1-CH2 4.11Å; V29-W99 HydrophobicContact CG1-CZ3 4.03Å; V29-W99 HydrophobicContact CG2-CH2 3.75Å; V29-W99 HydrophobicContact CG2-CZ3 3.82Å
30	K	97.7	Very high	95.5	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.5	175.3	-178	179.8	-177.5	177.2	0	109.6	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.47Å; K30-E38 PolarHBondContact O-N 3.13Å; K30-I40 HydrophobicContact CB-CD1 4.06Å; K30-I40 HydrophobicContact CB-CG1 4.24Å; K30-F56 HydrophobicContact CD-CE1 4.04Å; K30-F56 HydrophobicContact CD-CZ 4.14Å; K30-E81 WeakPolarHBondContact CE-O 3.17Å; K30-E81 PolarHBondContact NZ-O 2.93Å; K30-D82 IonicContact NZ-OD1 3.49Å; K30-D82 PolarHBondContact NZ-OD1 3.49Å; K30-A84 HydrophobicContact CD-CB 4.25Å; K30-A84 HydrophobicContact CG-CB 3.58Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.98Å; K30-Y86 WeakPolarHBondContact CE-OH 3.22Å; K30-Y86 HydrophobicContact CG-CD1 4.31Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å
31	Q	97.7	Very high	95.7	Very high	65 Å²	65	46.3 Å²	46.3	30%	0.304	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	114	171.1	-168.8	-177.7	27.9	0	0	110	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.89Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; Q31-A84 WeakPolarHBondContact O-CA 3.2Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 2.97Å; Q31-V85 PolarHBondContact N-O 2.81Å; Q31-V85 PolarHBondContact O-N 3.37Å; Q31-Y87 HydrophobicContact CB-CD2 4.4Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 2.93Å
32	R	95.4	Very high	95.9	Very high	53 Å²	53	47 Å²	47	20%	0.2	27%	0.272	C	S	.	.			trans	-83.2	150.8	169.9	-60.1	-163.6	-171.8	92.8	-4.5	110.3	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.03Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.01Å; R32-Q35 PolarHBondContact O-N 2.87Å; R32-E38 IonicContact CZ-OE1 3.36Å; R32-E38 IonicContact NH1-OE1 3.56Å; R32-E38 PolarHBondContact NH1-OE1 2.89Å; R32-E81 PolarHBondContact NE-O 2.88Å; R32-A84 HydrophobicContact CG-CB 4.3Å
33	P	91.8	Very high	96	Very high	118 Å²	118	44.9 Å²	44.9	77%	0.766	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	127.5	172.9	-25.6	34.8	0	0	0	111.4	Q35	P33-Q35 PolarHBondContact O-N 3.36Å
34	G	92.8	Very high	96.2	Very high	95 Å²	95	43.3 Å²	43.3	98%	0.979	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	5.2	-179.5	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 3.03Å
35	Q	93.8	Very high	96.3	Very high	99 Å²	99	41.2 Å²	41.2	46%	0.463	24%	0.237	S	C	.	.	S	Bend	trans	-112.6	160.5	176.8	-59.6	-171.4	-5.3	0	0	111.9	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.01Å; R32-Q35 PolarHBondContact O-N 2.87Å; P33-Q35 PolarHBondContact O-N 3.36Å
36	G	94.3	Very high	96.4	Very high	56 Å²	56	39.8 Å²	39.8	58%	0.577	24%	0.241	S	C	*	.			trans	-67.7	173.7	172.6	0	0	0	0	0	113.1
37	L	95.9	Very high	96.3	Very high	96 Å²	96	43.4 Å²	43.4	50%	0.503	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.7	175	-64.9	175.1	0	0	0	110.6	V29 Q31 W99	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; Q31-L37 HydrophobicContact CB-CD2 3.89Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; L37-W99 HydrophobicContact CD1-CH2 3.85Å; L37-W99 HydrophobicContact CD1-CZ2 4.46Å; L37-W99 HydrophobicContact CD1-CZ3 4.38Å
38	E	97.2	Very high	96.3	Very high	34 Å²	34	45 Å²	45	16%	0.159	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.1	174.3	-65	-168	-96.4	0	0	109.8	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.42Å; V29-E38 WeakPolarHBondContact CA-O 2.97Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.47Å; K30-E38 PolarHBondContact O-N 3.13Å; R32-E38 IonicContact CZ-OE1 3.36Å; R32-E38 IonicContact NH1-OE1 3.56Å; R32-E38 PolarHBondContact NH1-OE1 2.89Å; E38-I40 PolarHBondContact O-N 2.98Å; E38-K55 IonicContact OE2-NZ 2.75Å; E38-K55 PolarHBondContact OE2-NZ 2.84Å; E38-F56 HydrophobicContact CB-CE2 4.46Å; E38-F56 HydrophobicContact CB-CZ 4.38Å
39	W	97.1	Very high	96.2	Very high	72 Å²	72	50.8 Å²	50.8	27%	0.273	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126	175.2	179.8	71.7	0	0	0	110.9	H27 G41 Y42 K51 N53	H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-CD1 3.91Å; H27-W39 AromaticContact ND1-CE2 3.98Å; H27-W39 AromaticContact ND1-NE1 3.12Å; H27-W39 PolarHBondContact ND1-NE1 2.81Å; H27-W39 VanDerWaalsContact ND1-NE1 3.12Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.82Å; W39-G41 VanDerWaalsContact NE1-O 3.07Å; W39-Y42 HydrophobicContact CH2-CD1 4.24Å; W39-Y42 HydrophobicContact CH2-CE1 4.48Å; W39-Y42 AromaticContact CZ2-CD1 3.46Å; W39-Y42 HydrophobicContact CZ2-CD1 3.46Å; W39-Y42 VanDerWaalsContact CZ2-CD1 3.46Å; W39-Y42 HydrophobicContact CZ2-CE1 4.1Å; W39-Y42 HydrophobicContact CZ2-CG 4.26Å; W39-K51 HydrophobicContact CH2-CB 4.42Å; W39-K51 HydrophobicContact CH2-CD 4.38Å; W39-K51 HydrophobicContact CH2-CG 4.15Å; W39-N53 HydrophobicContact CE3-CB 3.84Å; W39-N53 HydrophobicContact CZ3-CB 3.95Å; W39-N53 WeakPolarHBondContact O-CB 3.38Å; W39-N53 PolarHBondContact O-ND2 2.89Å
40	I	98.1	Very high	96.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-49.1	-178.4	-62.4	175.1	0	0	0	110.5	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.22Å; W28-I40 PolarHBondContact O-N 3.12Å; K30-I40 HydrophobicContact CB-CD1 4.06Å; K30-I40 HydrophobicContact CB-CG1 4.24Å; E38-I40 PolarHBondContact O-N 2.98Å; I40-N53 PolarHBondContact O-N 3.09Å; I40-F56 HydrophobicContact CB-CD2 4.3Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.19Å; I40-F56 HydrophobicContact CG1-CE1 4.17Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.18Å; I40-F56 HydrophobicContact CG1-CZ 4.17Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.31Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; I40-A60 HydrophobicContact CG2-CB 3.78Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 3.97Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å
41	G	97.6	Very high	96.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	177.8	-169.5	0	0	0	0	0	112.3	H27 W28 W39 K51	H27-G41 CarbonylContact C-O 3.54Å; H27-G41 WeakPolarHBondContact CA-O 3.34Å; W28-G41 PolarHBondContact N-O 2.94Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.82Å; W39-G41 VanDerWaalsContact NE1-O 3.07Å; G41-K51 CarbonylContact C-O 3.51Å; G41-K51 WeakPolarHBondContact CA-O 3.35Å
42	Y	97.3	Very high	96.2	Very high	22 Å²	22	57.1 Å²	57.1	9%	0.086	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	160.7	167.2	66.9	-111.4	0	0	0	111.6	W25 M26 H27 W39 Y49 T50 K51	W25-Y42 HydrophobicContact CD2-CD2 4.17Å; W25-Y42 HydrophobicContact CD2-CE2 4.09Å; W25-Y42 AromaticContact CE3-CD1 4Å; W25-Y42 HydrophobicContact CE3-CD1 4Å; W25-Y42 AromaticContact CE3-CD2 3.6Å; W25-Y42 HydrophobicContact CE3-CD2 3.6Å; W25-Y42 AromaticContact CE3-CE1 3.79Å; W25-Y42 HydrophobicContact CE3-CE1 3.79Å; W25-Y42 AromaticContact CE3-CE2 3.38Å; W25-Y42 HydrophobicContact CE3-CE2 3.38Å; W25-Y42 AromaticContact CE3-CG 3.95Å; W25-Y42 HydrophobicContact CE3-CG 3.95Å; W25-Y42 AromaticContact CE3-CZ 3.49Å; W25-Y42 VanDerWaalsContact CE3-CZ 3.49Å; W25-Y42 HydrophobicContact CH2-CE2 4.11Å; W25-Y42 AromaticContact CH2-CZ 3.94Å; W25-Y42 HydrophobicContact CZ3-CD1 4.27Å; W25-Y42 HydrophobicContact CZ3-CD2 4.12Å; W25-Y42 AromaticContact CZ3-CE1 3.59Å; W25-Y42 HydrophobicContact CZ3-CE1 3.59Å; W25-Y42 AromaticContact CZ3-CE2 3.42Å; W25-Y42 HydrophobicContact CZ3-CE2 3.42Å; W25-Y42 VanDerWaalsContact CZ3-CE2 3.42Å; W25-Y42 AromaticContact CZ3-CZ 3.12Å; W25-Y42 WeakPolarHBondContact CZ3-OH 3.24Å; M26-Y42 CarbonylContact O-C 3.5Å; M26-Y42 WeakPolarHBondContact O-CA 3.11Å; M26-Y42 WeakPolarHBondContact O-CB 3.49Å; H27-Y42 AromaticContact CE1-CD1 3.35Å; H27-Y42 WeakPolarHBondContact CE1-CD1 3.43Å; H27-Y42 AromaticContact CE1-CG 3.78Å; H27-Y42 AromaticContact ND1-CD1 3.85Å; H27-Y42 AromaticContact NE2-CD1 3.93Å; H27-Y42 AromaticContact NE2-CG 3.96Å; W39-Y42 HydrophobicContact CH2-CD1 4.24Å; W39-Y42 HydrophobicContact CH2-CE1 4.48Å; W39-Y42 AromaticContact CZ2-CD1 3.46Å; W39-Y42 HydrophobicContact CZ2-CD1 3.46Å; W39-Y42 VanDerWaalsContact CZ2-CD1 3.46Å; W39-Y42 HydrophobicContact CZ2-CE1 4.1Å; W39-Y42 HydrophobicContact CZ2-CG 4.26Å; Y42-Y49 AromaticContact CE2-CD1 3.95Å; Y42-Y49 HydrophobicContact CE2-CD1 3.95Å; Y42-Y49 AromaticContact CE2-CE1 3.88Å; Y42-Y49 HydrophobicContact CE2-CE1 3.88Å; Y42-T50 VanDerWaalsContact O-CA 3.29Å; Y42-T50 WeakPolarHBondContact O-CA 3.42Å; Y42-K51 HydrophobicContact CD1-CB 4.27Å; Y42-K51 HydrophobicContact CD2-CB 4.43Å; Y42-K51 HydrophobicContact CE1-CB 3.7Å; Y42-K51 HydrophobicContact CE1-CD 3.83Å; Y42-K51 HydrophobicContact CE1-CG 4.32Å; Y42-K51 HydrophobicContact CE2-CB 3.86Å; Y42-K51 VanDerWaalsContact CZ-CB 3.45Å; Y42-K51 PolarHBondContact N-O 3.25Å; Y42-K51 PolarHBondContact O-N 3.01Å
43	I	97.7	Very high	96.3	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137	168.3	-174.3	165.9	0	0	0	110.1	M26 P45 Y49 T50 L62 A64	M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.43Å; M26-I43 PolarHBondContact O-N 3Å; I43-P45 WeakPolarHBondContact O-CD 3.48Å; I43-Y49 CarbonylContact C-O 3.58Å; I43-Y49 WeakPolarHBondContact CA-O 3.27Å; I43-T50 HydrophobicContact CB-CG2 3.91Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; I43-L62 HydrophobicContact CB-CB 4.18Å; I43-A64 HydrophobicContact CD1-CB 3.92Å
44	N	96.7	Very high	96.5	Very high	30 Å²	30	57.8 Å²	57.8	16%	0.16	33%	0.334	C	S	.	.			trans	-85.1	109.6	162.8	180	-25.8	0	0	0	108.2	W25 S46 S47 G48 Y49	W25-N44 PolarHBondContact NE1-ND2 2.75Å; N44-S46 PolarHBondContact O-N 2.86Å; N44-S46 WeakPolarHBondContact OD1-CA 3.44Å; N44-S46 VanDerWaalsContact OD1-CB 3.23Å; N44-S46 WeakPolarHBondContact OD1-CB 3.19Å; N44-S46 PolarHBondContact OD1-N 3.16Å; N44-S47 PolarHBondContact ND2-OG 3.48Å; N44-S47 PolarHBondContact O-N 2.69Å; N44-S47 PolarHBondContact OD1-N 2.94Å; N44-G48 VanDerWaalsContact O-CA 3.31Å; N44-G48 WeakPolarHBondContact O-CA 3.4Å; N44-G48 PolarHBondContact O-N 2.78Å; N44-Y49 PolarHBondContact N-O 2.89Å
45	P	96.5	Very high	96.6	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.019	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.7	-177.4	-20.2	34.3	0	0	0	113.8	F21 Y24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.35Å; F21-P45 HydrophobicContact CD2-CG 4.21Å; F21-P45 HydrophobicContact CE1-CB 3.46Å; F21-P45 VanDerWaalsContact CE1-CB 3.46Å; F21-P45 HydrophobicContact CE1-CG 3.91Å; F21-P45 HydrophobicContact CE2-CB 4.23Å; F21-P45 HydrophobicContact CE2-CG 3.73Å; F21-P45 HydrophobicContact CG-CB 4.42Å; F21-P45 HydrophobicContact CZ-CB 3.66Å; F21-P45 HydrophobicContact CZ-CG 3.57Å; Y24-P45 WeakPolarHBondContact O-CD 3.26Å; I43-P45 WeakPolarHBondContact O-CD 3.48Å; P45-A64 HydrophobicContact CB-CB 3.92Å; P45-A64 HydrophobicContact CG-CB 4.47Å; P45-K66 WeakPolarHBondContact O-CE 3.37Å
46	S	95.8	Very high	96.7	Very high	61 Å²	61	56.3 Å²	56.3	43%	0.427	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-50.5	177.3	-173.3	0	0	0	0	112.1	T22 N44 K66	T22-S46 WeakPolarHBondContact O-CB 3.42Å; N44-S46 PolarHBondContact O-N 2.86Å; N44-S46 WeakPolarHBondContact OD1-CA 3.44Å; N44-S46 VanDerWaalsContact OD1-CB 3.23Å; N44-S46 WeakPolarHBondContact OD1-CB 3.19Å; N44-S46 PolarHBondContact OD1-N 3.16Å; S46-K66 VanDerWaalsContact O-CE 3.28Å; S46-K66 WeakPolarHBondContact O-CE 3.15Å; S46-K66 PolarHBondContact O-NZ 3.1Å
47	S	96.3	Very high	96.7	Very high	81 Å²	81	59.3 Å²	59.3	57%	0.566	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-16	-175.5	57.3	0	0	0	0	114.4	N44 Y49	N44-S47 PolarHBondContact ND2-OG 3.48Å; N44-S47 PolarHBondContact O-N 2.69Å; N44-S47 PolarHBondContact OD1-N 2.94Å; S47-Y49 PolarHBondContact O-N 3.24Å; S47-Y49 WeakPolarHBondContact OG-CB 3.28Å; S47-Y49 PolarHBondContact OG-N 2.92Å
48	G	96.3	Very high	96.7	Very high	43 Å²	43	61.8 Å²	61.8	44%	0.443	31%	0.31	S	S	.	.			trans	73.6	4.8	-169.8	0	0	0	0	0	113.6	N44 T50	N44-G48 VanDerWaalsContact O-CA 3.31Å; N44-G48 WeakPolarHBondContact O-CA 3.4Å; N44-G48 PolarHBondContact O-N 2.78Å; G48-T50 PolarHBondContact O-N 2.69Å
49	Y	97.1	Very high	96.6	Very high	128 Å²	128	61.9 Å²	61.9	50%	0.502	31%	0.31	S	S	.	.			trans	-61.9	132.7	177.3	177	-98.4	0	0	0	110.4	Y42 I43 N44 S47 K51	Y42-Y49 AromaticContact CE2-CD1 3.95Å; Y42-Y49 HydrophobicContact CE2-CD1 3.95Å; Y42-Y49 AromaticContact CE2-CE1 3.88Å; Y42-Y49 HydrophobicContact CE2-CE1 3.88Å; I43-Y49 CarbonylContact C-O 3.58Å; I43-Y49 WeakPolarHBondContact CA-O 3.27Å; N44-Y49 PolarHBondContact N-O 2.89Å; S47-Y49 PolarHBondContact O-N 3.24Å; S47-Y49 WeakPolarHBondContact OG-CB 3.28Å; S47-Y49 PolarHBondContact OG-N 2.92Å; Y49-K51 HydrophobicContact CE1-CB 4.37Å
50	T	97.9	Very high	96.7	Very high	44 Å²	44	58.6 Å²	58.6	27%	0.27	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.4	-179.9	52.1	0	0	0	0	111.2	Y42 I43 G48 Y52 L62	Y42-T50 VanDerWaalsContact O-CA 3.29Å; Y42-T50 WeakPolarHBondContact O-CA 3.42Å; I43-T50 HydrophobicContact CB-CG2 3.91Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; G48-T50 PolarHBondContact O-N 2.69Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.38Å; T50-L62 HydrophobicContact CG2-CB 3.95Å
51	K	97.4	Very high	96.7	Very high	105 Å²	105	62 Å²	62	46%	0.457	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.8	168.7	-170.4	179.7	179	177.8	0	108.6	W39 G41 Y42 Y49	W39-K51 HydrophobicContact CH2-CB 4.42Å; W39-K51 HydrophobicContact CH2-CD 4.38Å; W39-K51 HydrophobicContact CH2-CG 4.15Å; G41-K51 CarbonylContact C-O 3.51Å; G41-K51 WeakPolarHBondContact CA-O 3.35Å; Y42-K51 HydrophobicContact CD1-CB 4.27Å; Y42-K51 HydrophobicContact CD2-CB 4.43Å; Y42-K51 HydrophobicContact CE1-CB 3.7Å; Y42-K51 HydrophobicContact CE1-CD 3.83Å; Y42-K51 HydrophobicContact CE1-CG 4.32Å; Y42-K51 HydrophobicContact CE2-CB 3.86Å; Y42-K51 VanDerWaalsContact CZ-CB 3.45Å; Y42-K51 PolarHBondContact N-O 3.25Å; Y42-K51 PolarHBondContact O-N 3.01Å; Y49-K51 HydrophobicContact CE1-CB 4.37Å
52	Y	98.2	Very high	96.7	Very high	55 Å²	55	62.4 Å²	62.4	22%	0.216	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.7	-177.9	-62.4	-91.1	0	0	0	110.7	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.38Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; Y52-L62 HydrophobicContact CE1-CB 4.48Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.91Å
53	N	97.3	Very high	96.8	Very high	46 Å²	46	64.3 Å²	64.3	25%	0.246	34%	0.335	C	S	.	.			trans	-71.2	137.4	155.2	180	-23.7	0	0	0	108.5	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.84Å; W39-N53 HydrophobicContact CZ3-CB 3.95Å; W39-N53 WeakPolarHBondContact O-CB 3.38Å; W39-N53 PolarHBondContact O-ND2 2.89Å; I40-N53 PolarHBondContact O-N 3.09Å; N53-K55 PolarHBondContact O-N 3.12Å; N53-K55 VanDerWaalsContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 3.03Å; N53-K55 VanDerWaalsContact OD1-N 3.16Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.83Å; N53-K57 PolarHBondContact O-N 3Å
54	Q	96.1	Very high	96.8	Very high	139 Å²	139	65.7 Å²	65.7	65%	0.65	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-54.5	-33.2	-176	-169.9	60.1	28.2	0	0	112.9	F56	Q54-F56 PolarHBondContact O-N 2.9Å
55	K	94.3	Very high	96.8	Very high	152 Å²	152	66.9 Å²	66.9	66%	0.661	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-61.3	-26.1	176.9	-69.8	-177.5	176.2	-178.3	0	114.2	E38 N53	E38-K55 IonicContact OE2-NZ 2.75Å; E38-K55 PolarHBondContact OE2-NZ 2.84Å; N53-K55 PolarHBondContact O-N 3.12Å; N53-K55 VanDerWaalsContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 3.03Å; N53-K55 VanDerWaalsContact OD1-N 3.16Å
56	F	96.2	Very high	96.8	Very high	11 Å²	11	72.5 Å²	72.5	5%	0.048	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-115	-2.1	-172	-61.3	-83	0	0	0	113.5	K30 E38 I40 N53 Q54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.04Å; K30-F56 HydrophobicContact CD-CZ 4.14Å; E38-F56 HydrophobicContact CB-CE2 4.46Å; E38-F56 HydrophobicContact CB-CZ 4.38Å; I40-F56 HydrophobicContact CB-CD2 4.3Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.19Å; I40-F56 HydrophobicContact CG1-CE1 4.17Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.18Å; I40-F56 HydrophobicContact CG1-CZ 4.17Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.31Å; I40-F56 HydrophobicContact CG2-CD2 4.4Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.83Å; Q54-F56 PolarHBondContact O-N 2.9Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 2.83Å; F56-K59 PolarHBondContact O-N 2.78Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 2.89Å
57	K	94.5	Very high	96.7	Very high	119 Å²	119	74.7 Å²	74.7	52%	0.517	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-38	-173.2	-170.7	179.8	179.9	-175.5	0	113.3	N53	N53-K57 PolarHBondContact O-N 3Å
58	D	95.1	Very high	96.8	Very high	147 Å²	147	72.7 Å²	72.7	79%	0.786	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-1.3	-179.9	-53.6	-40.8	0	0	0	112.8	F56	F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 2.83Å
59	K	96.3	Very high	96.8	Very high	37 Å²	37	72.6 Å²	72.6	16%	0.161	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-36.6	-173.3	-172.4	70.4	176.8	-163.8	0	112.9	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.78Å; K59-L75 HydrophobicContact CG-CD2 4.29Å; K59-L75 WeakPolarHBondContact O-CA 3.39Å; K59-S76 WeakPolarHBondContact CD-O 3.41Å; K59-S76 WeakPolarHBondContact CE-O 3.29Å; K59-S76 PolarHBondContact NZ-O 2.94Å; K59-S76 PolarHBondContact O-N 2.03Å; K59-S76 PolarHBondContact O-OG 2.8Å; K59-S77 PolarHBondContact NZ-O 3.18Å; K59-D82 WeakPolarHBondContact CE-OD2 3.14Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 3.07Å
60	A	97.9	Very high	96.8	Very high	2 Å²	2	66.9 Å²	66.9	2%	0.017	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.1	-173.2	0	0	0	0	0	111	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.78Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 2.89Å; A60-M73 HydrophobicContact CB-CG 4.25Å; A60-M73 HydrophobicContact CB-SD 4.29Å; A60-Q74 CarbonylContact C-O 3.6Å; A60-Q74 WeakPolarHBondContact CA-O 3.36Å; A60-L75 HydrophobicContact CB-CD2 3.98Å
61	T	98.4	Very high	96.8	Very high	73 Å²	73	64.8 Å²	64.8	45%	0.448	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.8	169.4	-57.7	0	0	0	0	109	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.38Å; T61-M73 WeakPolarHBondContact O-CA 3.2Å; T61-Q74 PolarHBondContact N-O 2.97Å; T61-Q74 PolarHBondContact O-N 2.89Å
62	L	98.6	Very high	96.9	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.9	178.5	-53.4	-175.1	0	0	0	110.8	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4Å; I43-L62 HydrophobicContact CB-CB 4.18Å; T50-L62 HydrophobicContact CG2-CB 3.95Å; Y52-L62 HydrophobicContact CE1-CB 4.48Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.91Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 4.21Å
63	T	98.3	Very high	96.9	Very high	61 Å²	61	59.6 Å²	59.6	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	162.2	176.2	56.1	0	0	0	0	110.5	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.38Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.44Å; T63-Y72 PolarHBondContact N-O 2.89Å; T63-Y72 PolarHBondContact O-N 3.21Å
64	A	97.9	Very high	96.9	Very high	34 Å²	34	61.5 Å²	61.5	28%	0.281	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	137.7	176.1	0	0	0	0	0	110.3	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.13Å; F21-A64 HydrophobicContact CZ-CB 4.1Å; I43-A64 HydrophobicContact CD1-CB 3.92Å; P45-A64 HydrophobicContact CB-CB 3.92Å; P45-A64 HydrophobicContact CG-CB 4.47Å; A64-T70 WeakPolarHBondContact CA-O 3.45Å
65	D	97.3	Very high	97	Very high	56 Å²	56	54.9 Å²	54.9	30%	0.299	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.7	170.8	174.9	10.3	0	0	0	109.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.34Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.19Å; D65-S67 PolarHBondContact OD1-N 3.12Å; D65-S67 PolarHBondContact OD1-OG 3.07Å; D65-S67 PolarHBondContact OD2-OG 3.02Å; D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 2.99Å; D65-S68 PolarHBondContact OD2-OG 2.93Å; D65-S69 WeakPolarHBondContact O-CA 2.98Å; D65-S69 PolarHBondContact O-N 3.18Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 3.13Å; D65-T70 PolarHBondContact O-N 3.31Å; D65-Y72 HydrophobicContact CB-CE2 4Å
66	K	95.5	Very high	97.2	Very high	121 Å²	121	49.3 Å²	49.3	53%	0.526	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-34.9	-179.3	-63	175	178.6	176.3	0	111.6	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CD 4.41Å; T22-K66 HydrophobicContact CG2-CG 4.1Å; P45-K66 WeakPolarHBondContact O-CE 3.37Å; S46-K66 VanDerWaalsContact O-CE 3.28Å; S46-K66 WeakPolarHBondContact O-CE 3.15Å; S46-K66 PolarHBondContact O-NZ 3.1Å; K66-S69 PolarHBondContact O-N 2.98Å
67	S	94.8	Very high	97.2	Very high	107 Å²	107	52.5 Å²	52.5	75%	0.748	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-42.2	-174.8	70.8	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.34Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.19Å; D65-S67 PolarHBondContact OD1-N 3.12Å; D65-S67 PolarHBondContact OD1-OG 3.07Å; D65-S67 PolarHBondContact OD2-OG 3.02Å
68	S	96.6	Very high	97.3	Very high	39 Å²	39	46.9 Å²	46.9	27%	0.273	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-0.3	176.5	65.7	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 2.99Å; D65-S68 PolarHBondContact OD2-OG 2.93Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 2.85Å; S68-T70 WeakPolarHBondContact OG-CB 3.49Å; S68-T70 PolarHBondContact OG-OG1 2.88Å
69	S	96.9	Very high	97.4	Very high	40 Å²	40	42.9 Å²	42.9	28%	0.28	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	43.2	-174.1	-65.1	0	0	0	0	112.7	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.42Å; A16-S69 PolarHBondContact N-O 3.3Å; F21-S69 VanDerWaalsContact CD1-CA 3.5Å; D65-S69 WeakPolarHBondContact O-CA 2.98Å; D65-S69 PolarHBondContact O-N 3.18Å; D65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 2.98Å
70	T	97.9	Very high	97.4	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.049	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.6	-173.1	-56.8	0	0	0	0	111.1	C14 K15 A64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.46Å; K15-T70 HydrophobicContact CB-CG2 4.45Å; A64-T70 WeakPolarHBondContact CA-O 3.45Å; D65-T70 PolarHBondContact N-O 3.13Å; D65-T70 PolarHBondContact O-N 3.31Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 2.85Å; S68-T70 WeakPolarHBondContact OG-CB 3.49Å; S68-T70 PolarHBondContact OG-OG1 2.88Å; T70-Y72 HydrophobicContact CG2-CD1 4.17Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.56Å; T70-Y72 HydrophobicContact CG2-CE2 3.82Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.45Å
71	A	97.9	Very high	97.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	149.2	167.4	0	0	0	0	0	110	S13 C14 F21 M26 W28 T63	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.41Å; C14-A71 PolarHBondContact N-O 2.93Å; C14-A71 PolarHBondContact O-N 3.08Å; F21-A71 HydrophobicContact CE2-CB 4.28Å; F21-A71 HydrophobicContact CZ-CB 3.97Å; M26-A71 HydrophobicContact CB-CB 4.05Å; M26-A71 HydrophobicContact CG-CB 3.58Å; W28-A71 HydrophobicContact CZ2-CB 4.33Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.44Å
72	Y	98.4	Very high	97.1	Very high	51 Å²	51	51.2 Å²	51.2	20%	0.2	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147	176.8	-53.6	-87.3	0	0	0	111.3	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 VanDerWaalsContact CE-CB 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å; L12-Y72 CarbonylContact O-C 3.4Å; L12-Y72 WeakPolarHBondContact O-CA 3.34Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; T63-Y72 PolarHBondContact N-O 2.89Å; T63-Y72 PolarHBondContact O-N 3.21Å; D65-Y72 HydrophobicContact CB-CE2 4Å; T70-Y72 HydrophobicContact CG2-CD1 4.17Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.56Å; T70-Y72 HydrophobicContact CG2-CE2 3.82Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.45Å
73	M	98.4	Very high	97.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.7	166.3	177.5	179.7	68.7	0	0	108.5	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.72Å; L12-M73 HydrophobicContact CG-CE 4.47Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 3.01Å; W28-M73 HydrophobicContact CB-SD 3.95Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.42Å; W28-M73 HydrophobicContact CD2-CG 4.47Å; W28-M73 HydrophobicContact CD2-SD 4.16Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.87Å; W28-M73 HydrophobicContact CE3-SD 4.2Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 4.08Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.13Å; W28-M73 HydrophobicContact CZ3-CE 4.36Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 3.97Å; A60-M73 HydrophobicContact CB-CG 4.25Å; A60-M73 HydrophobicContact CB-SD 4.29Å; T61-M73 WeakPolarHBondContact O-CA 3.2Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 4.21Å; M73-L75 HydrophobicContact CE-CD1 3.85Å; M73-L75 HydrophobicContact CE-CD2 4.16Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CD2 4.41Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.08Å; M73-L75 HydrophobicContact SD-CG 4.37Å; M73-Y86 HydrophobicContact CE-CD1 3.52Å; M73-Y86 HydrophobicContact CE-CE1 3.97Å; M73-Y86 HydrophobicContact CE-CG 4.17Å
74	Q	98.3	Very high	97.1	Very high	87 Å²	87	49.8 Å²	49.8	41%	0.407	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.4	169.3	-177.3	173.9	-7.6	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.33Å; A60-Q74 CarbonylContact C-O 3.6Å; A60-Q74 WeakPolarHBondContact CA-O 3.36Å; T61-Q74 PolarHBondContact N-O 2.97Å; T61-Q74 PolarHBondContact O-N 2.89Å
75	L	97.9	Very high	97.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.8	171.3	-66.1	168.1	0	0	0	108.7	S9 V10 K59 A60 M73 L78 Y86 L105	S9-L75 CarbonylContact C-O 3.53Å; S9-L75 WeakPolarHBondContact CA-O 3.14Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; V10-L75 HydrophobicContact CG1-CB 4.12Å; V10-L75 HydrophobicContact CG1-CD1 4.34Å; V10-L75 PolarHBondContact N-O 3.02Å; V10-L75 PolarHBondContact O-N 3.27Å; K59-L75 HydrophobicContact CG-CD2 4.29Å; K59-L75 WeakPolarHBondContact O-CA 3.39Å; A60-L75 HydrophobicContact CB-CD2 3.98Å; M73-L75 HydrophobicContact CE-CD1 3.85Å; M73-L75 HydrophobicContact CE-CD2 4.16Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CD2 4.41Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.08Å; M73-L75 HydrophobicContact SD-CG 4.37Å; L75-L78 HydrophobicContact CB-CD2 3.79Å; L75-L78 HydrophobicContact CD1-CD2 4.35Å; L75-Y86 HydrophobicContact CD1-CD1 4.33Å; L75-Y86 HydrophobicContact CD1-CE1 3.63Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-L105 HydrophobicContact CD1-CD2 4.03Å
76	S	97.1	Very high	97.1	Very high	35 Å²	35	47.3 Å²	47.3	25%	0.245	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-103.1	158.8	-179.9	58.6	0	0	0	0	112.3	K59 L78	K59-S76 WeakPolarHBondContact CD-O 3.41Å; K59-S76 WeakPolarHBondContact CE-O 3.29Å; K59-S76 PolarHBondContact NZ-O 2.94Å; K59-S76 PolarHBondContact O-N 2.03Å; K59-S76 PolarHBondContact O-OG 2.8Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 2.99Å
77	S	96.6	Very high	97.2	Very high	77 Å²	77	43.7 Å²	43.7	54%	0.538	24%	0.241	S	C	.	.	S	Bend	trans	48.1	50	170.9	-55.2	0	0	0	0	113.2	A8 K59	A8-S77 PolarHBondContact O-N 2.85Å; K59-S77 PolarHBondContact NZ-O 3.18Å
78	L	97.4	Very high	97.3	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.21	C	C	.	.			trans	-55.3	141	-170.6	-72.3	172.1	0	0	0	112.7	A4 P6 G7 A8 V10 L75 S76 D82 L105 V107	A4-L78 HydrophobicContact CB-CD1 3.49Å; A4-L78 VanDerWaalsContact CB-CD1 3.49Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.33Å; G7-L78 PolarHBondContact N-O 2.78Å; A8-L78 WeakPolarHBondContact O-CB 3.44Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.3Å; A8-L78 PolarHBondContact O-N 2.98Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.89Å; V10-L78 HydrophobicContact CG1-CD2 4.37Å; L75-L78 HydrophobicContact CB-CD2 3.79Å; L75-L78 HydrophobicContact CD1-CD2 4.35Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 2.99Å; L78-D82 WeakPolarHBondContact CA-OD2 3.41Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; L78-L105 HydrophobicContact CD1-CD2 4.4Å; L78-L105 HydrophobicContact CD2-CD2 3.92Å; L78-V107 HydrophobicContact CB-CG1 4.26Å; L78-V107 HydrophobicContact CB-CG2 4.08Å; L78-V107 HydrophobicContact CD1-CG2 4.28Å; L78-V107 HydrophobicContact CD2-CG2 4.45Å
79	T	96.8	Very high	97.3	Very high	62 Å²	62	37.5 Å²	37.5	38%	0.38	20%	0.197	S	C	.	.			trans	-119.6	167.7	172.6	70.1	0	0	0	0	110	E81 D82 V107	T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-E81 PolarHBondContact OG1-N 2.91Å; T79-D82 PolarHBondContact N-OD2 3.05Å; T79-D82 WeakPolarHBondContact O-CB 3.29Å; T79-D82 PolarHBondContact O-N 2.86Å; T79-D82 PolarHBondContact OG1-OD2 2.97Å; T79-V107 WeakPolarHBondContact O-CB 3.43Å; T79-V107 WeakPolarHBondContact O-CG2 3.28Å
80	Y	96.3	Very high	97.1	Very high	143 Å²	143	37.7 Å²	37.7	56%	0.561	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-54.9	-32	175.8	-61.9	-69.1	0	0	0	112.7	P6 D82 S83 V107	P6-Y80 HydrophobicContact CG-CD1 4.41Å; P6-Y80 HydrophobicContact CG-CE1 3.71Å; P6-Y80 HydrophobicContact CG-CE2 4.15Å; Y80-D82 PolarHBondContact O-N 2.81Å; Y80-S83 WeakPolarHBondContact O-CB 3.48Å; Y80-S83 PolarHBondContact O-N 3.49Å; Y80-S83 VanDerWaalsContact O-N 3.08Å; Y80-S83 PolarHBondContact O-OG 3.49Å; Y80-V107 WeakPolarHBondContact CD1-O 2.9Å
81	E	94.3	Very high	96.7	Very high	136 Å²	136	38 Å²	38	64%	0.636	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-68.6	-13.8	177.9	-60.8	-171.7	-179.4	0	0	114.1	K30 R32 T79	K30-E81 WeakPolarHBondContact CE-O 3.17Å; K30-E81 PolarHBondContact NZ-O 2.93Å; R32-E81 PolarHBondContact NE-O 2.88Å; T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-E81 PolarHBondContact OG1-N 2.91Å
82	D	96.4	Very high	95.9	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.043	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-79.7	-5.9	172.7	-63.7	-46.9	0	0	0	112.9	K30 K59 L78 T79 Y80 A84 Y86 V107	K30-D82 IonicContact NZ-OD1 3.49Å; K30-D82 PolarHBondContact NZ-OD1 3.49Å; K59-D82 WeakPolarHBondContact CE-OD2 3.14Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 3.07Å; L78-D82 WeakPolarHBondContact CA-OD2 3.41Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; T79-D82 PolarHBondContact N-OD2 3.05Å; T79-D82 WeakPolarHBondContact O-CB 3.29Å; T79-D82 PolarHBondContact O-N 2.86Å; T79-D82 PolarHBondContact OG1-OD2 2.97Å; Y80-D82 PolarHBondContact O-N 2.81Å; D82-A84 PolarHBondContact O-N 2.88Å; D82-A84 VanDerWaalsContact O-N 3.12Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.13Å; D82-Y86 PolarHBondContact O-OH 2.86Å; D82-V107 HydrophobicContact CB-CG2 4.15Å
83	S	97.6	Very high	94.6	Very high	34 Å²	34	46.1 Å²	46.1	24%	0.238	25%	0.247	C	C	.	.			trans	-65.5	113	171	-56	0	0	0	0	110.4	Y80 L105 V107	Y80-S83 WeakPolarHBondContact O-CB 3.48Å; Y80-S83 PolarHBondContact O-N 3.49Å; Y80-S83 VanDerWaalsContact O-N 3.08Å; Y80-S83 PolarHBondContact O-OG 3.49Å; S83-L105 CarbonylContact C-O 3.58Å; S83-L105 VanDerWaalsContact CA-O 3.26Å; S83-L105 WeakPolarHBondContact CA-O 3.34Å; S83-V107 PolarHBondContact OG-N 2.85Å
84	A	97.9	Very high	93.1	Very high	6 Å²	6	51.5 Å²	51.5	5%	0.05	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	170.5	-172	0	0	0	0	0	111	K30 Q31 R32 D82 Y86 L105	K30-A84 HydrophobicContact CD-CB 4.25Å; K30-A84 HydrophobicContact CG-CB 3.58Å; Q31-A84 WeakPolarHBondContact O-CA 3.2Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 2.97Å; R32-A84 HydrophobicContact CG-CB 4.3Å; D82-A84 PolarHBondContact O-N 2.88Å; D82-A84 VanDerWaalsContact O-N 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-L105 PolarHBondContact N-O 3.21Å; A84-L105 PolarHBondContact O-N 3Å
85	V	98.3	Very high	92	Very high	35 Å²	35	50.2 Å²	50.2	21%	0.212	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	129.7	160.9	-171	0	0	0	0	108.5	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.81Å; Q31-V85 PolarHBondContact O-N 3.37Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD1 4.39Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.64Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å
86	Y	98.3	Very high	91.2	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.7	178	-70.9	-90.7	0	0	0	110.1	L12 V29 K30 I40 M73 L75 D82 A84 G102 T103 L105	L12-Y86 HydrophobicContact CD1-CD1 4.35Å; L12-Y86 HydrophobicContact CD1-CD2 4Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.33Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.98Å; K30-Y86 WeakPolarHBondContact CE-OH 3.22Å; K30-Y86 HydrophobicContact CG-CD1 4.31Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å; M73-Y86 HydrophobicContact CE-CD1 3.52Å; M73-Y86 HydrophobicContact CE-CE1 3.97Å; M73-Y86 HydrophobicContact CE-CG 4.17Å; L75-Y86 HydrophobicContact CD1-CD1 4.33Å; L75-Y86 HydrophobicContact CD1-CE1 3.63Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.13Å; D82-Y86 PolarHBondContact O-OH 2.86Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; Y86-G102 CarbonylContact O-C 3.55Å; Y86-G102 VanDerWaalsContact O-CA 3.27Å; Y86-G102 WeakPolarHBondContact O-CA 3.42Å; Y86-T103 PolarHBondContact N-O 3Å; Y86-T103 PolarHBondContact O-N 3.3Å; Y86-L105 HydrophobicContact CD2-CB 3.87Å; Y86-L105 HydrophobicContact CD2-CD2 4.41Å; Y86-L105 HydrophobicContact CE2-CB 3.77Å; Y86-L105 HydrophobicContact CE2-CD2 3.72Å; Y86-L105 HydrophobicContact CE2-CG 4.34Å
87	Y	97.9	Very high	90.3	Very high	46 Å²	46	56.2 Å²	56.2	18%	0.18	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.4	179.9	-55.5	-87.3	0	0	0	110.4	W28 V29 Q31 V85 W99	W28-Y87 WeakPolarHBondContact CA-O 3.38Å; V29-Y87 PolarHBondContact N-O 2.79Å; V29-Y87 PolarHBondContact O-N 3.36Å; Q31-Y87 HydrophobicContact CB-CD2 4.4Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 2.93Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD1 4.39Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.64Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å; Y87-W99 HydrophobicContact CG-CE3 4.14Å; Y87-W99 HydrophobicContact CG-CZ3 4.33Å
88	C	96.8	Very high	89.9	Confident	15 Å²	15	58.9 Å²	58.9	10%	0.101	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	145.3	159.6	61.5	0	0	0	0	109.5	C14 M26 H27 W28 W99 G100	C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.39Å; C14-C88 WeakPolarHBondContact SG-CB 3.26Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.89Å; M26-C88 HydrophobicContact CG-CB 4.42Å; M26-C88 HydrophobicContact SD-CB 3.71Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; W28-C88 HydrophobicContact CE3-CB 4.34Å; W28-C88 HydrophobicContact CH2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.31Å; C88-W99 WeakPolarHBondContact O-CA 3.49Å; C88-G100 PolarHBondContact O-N 3.33Å
89	A	95.5	Very high	89.8	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	140	176.5	0	0	0	0	0	110.7	H27 F96 Y98 W99	H27-A89 HydrophobicContact CB-CB 4.4Å; H27-A89 PolarHBondContact N-O 3.19Å; H27-A89 PolarHBondContact O-N 3.42Å; A89-F96 HydrophobicContact CB-CB 4.36Å; A89-F96 HydrophobicContact CB-CD1 4.26Å; A89-F96 HydrophobicContact CB-CG 4.16Å; A89-Y98 CarbonylContact C-O 3.6Å; A89-Y98 VanDerWaalsContact CA-O 3.24Å; A89-Y98 WeakPolarHBondContact CA-O 3.42Å; A89-W99 HydrophobicContact CB-CD2 3.72Å; A89-W99 HydrophobicContact CB-CE3 4Å; A89-W99 HydrophobicContact CB-CG 4.13Å; A89-W99 HydrophobicContact CB-CH2 4.42Å; A89-W99 HydrophobicContact CB-CZ2 4.18Å; A89-W99 HydrophobicContact CB-CZ3 4.34Å
90	R	92.9	Very high	89.6	Confident	43 Å²	43	60.8 Å²	60.8	16%	0.162	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.1	178.7	-172.4	-170.5	75.7	-170.8	0.2	110.4	Y19 Y24 W25 F96 D97 Y98	Y19-R90 HydrophobicContact CE2-CG 4.18Å; Y24-R90 VanDerWaalsContact CB-CG 3.4Å; Y24-R90 HydrophobicContact CD1-CG 3.5Å; Y24-R90 HydrophobicContact CD2-CG 4.48Å; Y24-R90 HydrophobicContact CE1-CG 4.37Å; Y24-R90 VanDerWaalsContact CG-CD 3.44Å; Y24-R90 HydrophobicContact CG-CG 3.56Å; W25-R90 WeakPolarHBondContact O-CA 3.42Å; R90-F96 WeakPolarHBondContact O-CA 3.48Å; R90-D97 IonicContact NH2-OD2 3.76Å; R90-D97 PolarHBondContact O-N 3.38Å; R90-Y98 PolarHBondContact N-O 3.36Å
91	D	89.3	Confident	89.6	Confident	16 Å²	16	62.2 Å²	62.2	9%	0.086	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.4	174	178.3	24.3	0	0	0	112.2	Y24 W25 H27 G93 S94 S95 F96	Y24-D91 WeakPolarHBondContact CA-O 3.49Å; Y24-D91 WeakPolarHBondContact CB-O 3.46Å; Y24-D91 WeakPolarHBondContact CD1-O 3.47Å; W25-D91 HydrophobicContact CB-CB 4.42Å; W25-D91 PolarHBondContact N-O 3.41Å; W25-D91 PolarHBondContact O-N 2.79Å; H27-D91 IonicContact NE2-OD2 3.72Å; D91-G93 PolarHBondContact OD1-N 2.86Å; D91-G93 VanDerWaalsContact OD1-N 3.1Å; D91-S94 PolarHBondContact OD1-N 3.41Å; D91-S95 WeakPolarHBondContact CA-O 3.23Å; D91-S95 PolarHBondContact OD1-N 3.38Å; D91-F96 HydrophobicContact CB-CD1 3.97Å; D91-F96 HydrophobicContact CB-CE1 4.16Å
92	Y	81.4	Confident	89.6	Confident	149 Å²	149	57.1 Å²	57.1	58%	0.584	31%	0.311	S	S	*	.	S	Bend	trans	-114.4	71.1	166.8	-163.9	-106	0	0	0	111.1	Y24 S94	Y24-Y92 AromaticContact CD1-CD2 3.81Å; Y24-Y92 HydrophobicContact CD1-CD2 3.81Å; Y24-Y92 HydrophobicContact CD1-CG 4.2Å; Y24-Y92 AromaticContact CE1-CD2 3.63Å; Y24-Y92 HydrophobicContact CE1-CD2 3.63Å; Y24-Y92 AromaticContact CE1-CG 3.89Å; Y24-Y92 HydrophobicContact CE1-CG 3.89Å; Y24-Y92 HydrophobicContact CG-CD2 4.45Å; Y92-S94 VanDerWaalsContact C-N 3.3Å; Y92-S94 PolarHBondContact O-N 3.42Å
93	G	70.7	Confident	89.7	Confident	71 Å²	71	58.8 Å²	58.8	73%	0.732	32%	0.322	S	S	*	.	S	Bend	trans	77.9	-7.1	167	0	0	0	0	0	117	D91	D91-G93 PolarHBondContact OD1-N 2.86Å; D91-G93 VanDerWaalsContact OD1-N 3.1Å
94	S	67.9	Low	89.7	Confident	113 Å²	113	60.2 Å²	60.2	79%	0.79	33%	0.329	S	S	*	.	S	Bend	trans	-167.1	-10.1	177.5	52.6	0	0	0	0	116.8	D91 Y92	D91-S94 PolarHBondContact OD1-N 3.41Å; Y92-S94 VanDerWaalsContact C-N 3.3Å; Y92-S94 PolarHBondContact O-N 3.42Å
95	S	74.5	Confident	89.7	Confident	60 Å²	60	60 Å²	60	42%	0.42	33%	0.327	S	S	.	.			trans	-148.5	142.7	-177.3	55.9	0	0	0	0	113.2	D91 D97	D91-S95 WeakPolarHBondContact CA-O 3.23Å; D91-S95 PolarHBondContact OD1-N 3.38Å; S95-D97 PolarHBondContact O-N 3.07Å; S95-D97 VanDerWaalsContact O-N 3.12Å; S95-D97 PolarHBondContact OG-OD1 3Å
96	F	80.4	Confident	89.7	Confident	85 Å²	85	61.2 Å²	61.2	37%	0.373	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	101.3	168.8	-62.7	-32.5	0	0	0	110.3	H27 A89 R90 D91 W99	H27-F96 HydrophobicContact CB-CE1 3.88Å; H27-F96 HydrophobicContact CB-CZ 4.11Å; H27-F96 AromaticContact CD2-CE1 3.52Å; H27-F96 AromaticContact CE1-CE1 3.53Å; H27-F96 AromaticContact CE1-CZ 3.96Å; H27-F96 AromaticContact CG-CE1 3.28Å; H27-F96 AromaticContact CG-CZ 3.73Å; H27-F96 AromaticContact ND1-CE1 3.28Å; H27-F96 VanDerWaalsContact ND1-CE1 3.28Å; H27-F96 WeakPolarHBondContact ND1-CE1 2.92Å; H27-F96 AromaticContact ND1-CZ 3.42Å; H27-F96 WeakPolarHBondContact ND1-CZ 3.31Å; H27-F96 AromaticContact NE2-CE1 3.72Å; A89-F96 HydrophobicContact CB-CB 4.36Å; A89-F96 HydrophobicContact CB-CD1 4.26Å; A89-F96 HydrophobicContact CB-CG 4.16Å; R90-F96 WeakPolarHBondContact O-CA 3.48Å; D91-F96 HydrophobicContact CB-CD1 3.97Å; D91-F96 HydrophobicContact CB-CE1 4.16Å; F96-W99 HydrophobicContact CB-CZ2 4.33Å; F96-W99 HydrophobicContact CD2-CH2 4.38Å; F96-W99 AromaticContact CD2-CZ2 3.58Å; F96-W99 HydrophobicContact CD2-CZ2 3.58Å; F96-W99 HydrophobicContact CE2-CZ2 4.27Å; F96-W99 HydrophobicContact CG-CZ2 4.24Å
97	D	80.1	Confident	89.6	Confident	77 Å²	77	61.3 Å²	61.3	41%	0.412	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-34	-174.6	-58.4	-22.4	0	0	0	112.5	R90 S95	R90-D97 IonicContact NH2-OD2 3.76Å; R90-D97 PolarHBondContact O-N 3.38Å; S95-D97 PolarHBondContact O-N 3.07Å; S95-D97 VanDerWaalsContact O-N 3.12Å; S95-D97 PolarHBondContact OG-OD1 3Å
98	Y	88.2	Confident	89.5	Confident	133 Å²	133	61.4 Å²	61.4	52%	0.522	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	138.9	-175.6	-174.6	-95.1	0	0	0	111.8	A89 R90	A89-Y98 CarbonylContact C-O 3.6Å; A89-Y98 VanDerWaalsContact CA-O 3.24Å; A89-Y98 WeakPolarHBondContact CA-O 3.42Å; R90-Y98 PolarHBondContact N-O 3.36Å
99	W	94	Very high	89.1	Confident	84 Å²	84	66.8 Å²	66.8	32%	0.318	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.1	177.5	-70	71.9	0	0	0	110.4	V29 L37 Y87 C88 A89 F96	V29-W99 HydrophobicContact CB-CH2 4.15Å; V29-W99 HydrophobicContact CB-CZ3 3.83Å; V29-W99 HydrophobicContact CG1-CH2 4.11Å; V29-W99 HydrophobicContact CG1-CZ3 4.03Å; V29-W99 HydrophobicContact CG2-CH2 3.75Å; V29-W99 HydrophobicContact CG2-CZ3 3.82Å; L37-W99 HydrophobicContact CD1-CH2 3.85Å; L37-W99 HydrophobicContact CD1-CZ2 4.46Å; L37-W99 HydrophobicContact CD1-CZ3 4.38Å; Y87-W99 HydrophobicContact CG-CE3 4.14Å; Y87-W99 HydrophobicContact CG-CZ3 4.33Å; C88-W99 WeakPolarHBondContact O-CA 3.49Å; A89-W99 HydrophobicContact CB-CD2 3.72Å; A89-W99 HydrophobicContact CB-CE3 4Å; A89-W99 HydrophobicContact CB-CG 4.13Å; A89-W99 HydrophobicContact CB-CH2 4.42Å; A89-W99 HydrophobicContact CB-CZ2 4.18Å; A89-W99 HydrophobicContact CB-CZ3 4.34Å; F96-W99 HydrophobicContact CB-CZ2 4.33Å; F96-W99 HydrophobicContact CD2-CH2 4.38Å; F96-W99 AromaticContact CD2-CZ2 3.58Å; F96-W99 HydrophobicContact CD2-CZ2 3.58Å; F96-W99 HydrophobicContact CE2-CZ2 4.27Å; F96-W99 HydrophobicContact CG-CZ2 4.24Å
100	G	93.9	Very high	88.8	Confident	19 Å²	19	70.1 Å²	70.1	20%	0.196	40%	0.4	C	S	.	.			trans	-64.6	160.1	166.9	0	0	0	0	0	111.2	C88 G102	C88-G100 PolarHBondContact O-N 3.33Å; G100-G102 PolarHBondContact O-N 3.08Å
101	Q	94.6	Very high	88.6	Confident	174 Å²	174	71.5 Å²	71.5	81%	0.813	41%	0.412	S	S	*	.			trans	-62.4	-14.5	-179.8	-64.3	-62.8	-48.7	0	0	113.9
102	G	96	Very high	88.6	Confident	28 Å²	28	74.6 Å²	74.6	29%	0.289	43%	0.43	S	S	.	.			trans	86.1	149.7	-177.3	0	0	0	0	0	112.5	Y86 G100	Y86-G102 CarbonylContact O-C 3.55Å; Y86-G102 VanDerWaalsContact O-CA 3.27Å; Y86-G102 WeakPolarHBondContact O-CA 3.42Å; G100-G102 PolarHBondContact O-N 3.08Å
103	T	97.5	Very high	89	Confident	43 Å²	43	70.2 Å²	70.2	26%	0.264	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.2	173.9	-61.3	0	0	0	0	108.5	E2 L12 Y86 L105	E2-T103 HydrophobicContact CG-CG2 4.05Å; L12-T103 HydrophobicContact CD2-CG2 4.05Å; Y86-T103 PolarHBondContact N-O 3Å; Y86-T103 PolarHBondContact O-N 3.3Å; T103-L105 PolarHBondContact O-N 2.61Å
104	T	97.9	Very high	90.1	Very high	64 Å²	64	70.2 Å²	70.2	39%	0.393	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	121.8	169.6	-49.7	0	0	0	0	109.3	A1 E2	A1-T104 CarbonylContact C-O 3.52Å; A1-T104 WeakPolarHBondContact CA-O 3.31Å; E2-T104 PolarHBondContact N-O 3.12Å
105	L	97.7	Very high	91.6	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.4	166.7	173.8	64.7	0	0	0	107.9	E2 A4 V10 L75 L78 S83 A84 Y86 T103 V107	E2-L105 HydrophobicContact CB-CD1 3.72Å; E2-L105 WeakPolarHBondContact O-CA 3.31Å; A4-L105 HydrophobicContact CB-CD1 4.16Å; V10-L105 HydrophobicContact CB-CD1 4.49Å; V10-L105 HydrophobicContact CG1-CD1 4.06Å; V10-L105 HydrophobicContact CG1-CD2 3.83Å; V10-L105 HydrophobicContact CG2-CD1 4.41Å; L75-L105 HydrophobicContact CD1-CD2 4.03Å; L78-L105 HydrophobicContact CD1-CD2 4.4Å; L78-L105 HydrophobicContact CD2-CD2 3.92Å; S83-L105 CarbonylContact C-O 3.58Å; S83-L105 VanDerWaalsContact CA-O 3.26Å; S83-L105 WeakPolarHBondContact CA-O 3.34Å; A84-L105 PolarHBondContact N-O 3.21Å; A84-L105 PolarHBondContact O-N 3Å; Y86-L105 HydrophobicContact CD2-CB 3.87Å; Y86-L105 HydrophobicContact CD2-CD2 4.41Å; Y86-L105 HydrophobicContact CE2-CB 3.77Å; Y86-L105 HydrophobicContact CE2-CD2 3.72Å; Y86-L105 HydrophobicContact CE2-CG 4.34Å; T103-L105 PolarHBondContact O-N 2.61Å; L105-V107 HydrophobicContact CD2-CG2 4.43Å; L105-V107 HydrophobicContact CG-CG2 4.28Å
106	T	97.8	Very high	92.8	Very high	61 Å²	61	67.9 Å²	67.9	37%	0.374	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.9	172.4	-58.8	0	0	0	0	108.6	E2 L3 A4	E2-T106 PolarHBondContact O-N 2.67Å; L3-T106 WeakPolarHBondContact CA-O 3.48Å; L3-T106 HydrophobicContact CD1-CG2 4Å; A4-T106 PolarHBondContact N-O 2.89Å
107	V	97.1	Very high	93.8	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.024	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	112.4	173.9	-173.8	0	0	0	0	108.5	A4 P6 L78 T79 Y80 D82 S83 L105	A4-V107 CarbonylContact O-C 3.54Å; A4-V107 VanDerWaalsContact O-CA 3.26Å; A4-V107 WeakPolarHBondContact O-CA 3.43Å; P6-V107 HydrophobicContact CG-CG1 4.07Å; L78-V107 HydrophobicContact CB-CG1 4.26Å; L78-V107 HydrophobicContact CB-CG2 4.08Å; L78-V107 HydrophobicContact CD1-CG2 4.28Å; L78-V107 HydrophobicContact CD2-CG2 4.45Å; T79-V107 WeakPolarHBondContact O-CB 3.43Å; T79-V107 WeakPolarHBondContact O-CG2 3.28Å; Y80-V107 WeakPolarHBondContact CD1-O 2.9Å; D82-V107 HydrophobicContact CB-CG2 4.15Å; S83-V107 PolarHBondContact OG-N 2.85Å; L105-V107 HydrophobicContact CD2-CG2 4.43Å; L105-V107 HydrophobicContact CG-CG2 4.28Å
108	S	95	Very high	94.9	Very high	48 Å²	48	65.7 Å²	65.7	34%	0.336	37%	0.37	S	S	.	.			trans	-146.7	157.2	-179.2	64.3	0	0	0	0	111.6	L3 A4	L3-S108 WeakPolarHBondContact CD1-OG 3.42Å; A4-S108 PolarHBondContact O-N 2.76Å
109	S	89.3	Confident	95.5	Very high	129 Å²	129	59.5 Å²	59.5	90%	0.902	36%	0.356	S	S	*	.			trans	-75.5	0	178	57.8	0	0	0	0	113

Retrieved 109 of 109 residues in 26.3 ms (Link to these results)

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