X5J4R7_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4R7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 113 aa.

						>X5J4R7_MOUSE|X5J4R7
AELVKPGASVKLSCKASGYTFTEYTIHWVKQRSGQGLEWIGWFYPGSGSIKYNEKFKDKATLTADKSSSTVYMELSRLTSEDSAVYFCARHEEDGNYGYFDVWGTGTTVTVSS
					

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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	82.4	Confident	94.8	Very high	104 Å²	104	77.1 Å²	77.1	86%	0.86	46%	0.462	S	S	*	.				0	136.6	0	0	0	0	0	0	107.1	T108	A1-T108 CarbonylContact C-O 3.57Å; A1-T108 WeakPolarHBondContact CA-O 3.37Å
2	E	90.6	Very high	95.1	Very high	89 Å²	89	71.2 Å²	71.2	42%	0.416	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.5	-173	-62.7	-62.5	148.7	0	0	109.4	V4 V10 L12 T107 T108 V109 T110	E2-V4 HydrophobicContact CB-CG1 4.48Å; E2-V10 HydrophobicContact CB-CG2 4.03Å; E2-V10 HydrophobicContact CG-CG2 3.82Å; E2-L12 HydrophobicContact CG-CD2 4.35Å; E2-T107 HydrophobicContact CG-CG2 4.47Å; E2-T108 PolarHBondContact N-O 3.29Å; E2-V109 HydrophobicContact CB-CG2 4.32Å; E2-V109 CarbonylContact O-C 3.59Å; E2-V109 WeakPolarHBondContact O-CA 3.33Å; E2-T110 PolarHBondContact O-N 2.78Å
3	L	95	Very high	95.3	Very high	127 Å²	127	71.3 Å²	71.3	67%	0.665	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.1	171.8	-178.2	65.8	0	0	0	108.3	T110 S112	L3-T110 HydrophobicContact CD1-CG2 3.81Å; L3-S112 WeakPolarHBondContact CD1-OG 3.27Å
4	V	96.1	Very high	95.4	Very high	21 Å²	21	67.5 Å²	67.5	13%	0.127	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.5	-172.7	-61.6	0	0	0	0	111.3	E2 A8 L78 V109 T110 V111 S112	E2-V4 HydrophobicContact CB-CG1 4.48Å; V4-A8 HydrophobicContact CB-CB 4.38Å; V4-L78 HydrophobicContact CG2-CD1 3.57Å; V4-V109 HydrophobicContact CG2-CG1 4.16Å; V4-T110 PolarHBondContact N-O 2.73Å; V4-V111 HydrophobicContact CG2-CB 4.38Å; V4-V111 HydrophobicContact CG2-CG1 4.44Å; V4-V111 HydrophobicContact CG2-CG2 3.83Å; V4-V111 VanDerWaalsContact O-CA 3.31Å; V4-V111 WeakPolarHBondContact O-CA 3.29Å; V4-S112 PolarHBondContact O-N 3.17Å
5	K	96.2	Very high	95.5	Very high	148 Å²	148	73.3 Å²	73.3	64%	0.643	43%	0.428	S	S	*	.			trans	-80.4	151.8	176	-67.1	-175.9	178.2	-176.7	0	110.9	G7 A8	K5-G7 PolarHBondContact O-N 2.92Å; K5-A8 WeakPolarHBondContact O-CB 3.31Å; K5-A8 PolarHBondContact O-N 3.01Å; K5-A8 VanDerWaalsContact O-N 3.14Å
6	P	97.1	Very high	95.5	Very high	74 Å²	74	69.4 Å²	69.4	48%	0.481	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	139.2	169.9	-25.2	33.8	0	0	0	111.9	A8 L78 V111	P6-A8 VanDerWaalsContact C-N 3.28Å; P6-A8 PolarHBondContact O-N 3.26Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.27Å; P6-V111 HydrophobicContact CB-CG1 4.39Å; P6-V111 HydrophobicContact CG-CG1 4.16Å
7	G	96.1	Very high	95.3	Very high	55 Å²	55	71.1 Å²	71.1	57%	0.567	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	-14	-177	0	0	0	0	0	114.9	K5 L78	K5-G7 PolarHBondContact O-N 2.92Å; G7-L78 PolarHBondContact N-O 3.03Å
8	A	96.8	Very high	95.1	Very high	36 Å²	36	72.1 Å²	72.1	30%	0.298	45%	0.451	S	S	.	.			trans	-70.1	168.1	176.5	0	0	0	0	0	112.4	V4 K5 P6 R77 L78	V4-A8 HydrophobicContact CB-CB 4.38Å; K5-A8 WeakPolarHBondContact O-CB 3.31Å; K5-A8 PolarHBondContact O-N 3.01Å; K5-A8 VanDerWaalsContact O-N 3.14Å; P6-A8 VanDerWaalsContact C-N 3.28Å; P6-A8 PolarHBondContact O-N 3.26Å; A8-R77 PolarHBondContact O-N 2.96Å; A8-L78 WeakPolarHBondContact O-CB 3.34Å; A8-L78 WeakPolarHBondContact O-CG 3.43Å; A8-L78 PolarHBondContact O-N 3.05Å
9	S	97.3	Very high	94.9	Very high	63 Å²	63	71.1 Å²	71.1	44%	0.441	44%	0.438	S	S	.	.			trans	-112.1	151.6	169.4	-58.1	0	0	0	0	110.2	L75 S76	S9-L75 CarbonylContact C-O 3.39Å; S9-L75 WeakPolarHBondContact CA-O 3.47Å; S9-L75 WeakPolarHBondContact CB-O 3.46Å; S9-S76 WeakPolarHBondContact OG-CA 3.41Å
10	V	97.4	Very high	94.9	Very high	10 Å²	10	71.1 Å²	71.1	6%	0.061	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.3	173.3	73.7	0	0	0	0	110	E2 L12 E74 L75 L78 V109	E2-V10 HydrophobicContact CB-CG2 4.03Å; E2-V10 HydrophobicContact CG-CG2 3.82Å; V10-L12 HydrophobicContact CG1-CD2 4.32Å; V10-L12 HydrophobicContact CG1-CG 4.42Å; V10-L12 HydrophobicContact CG2-CD2 4.02Å; V10-E74 CarbonylContact O-C 3.52Å; V10-E74 WeakPolarHBondContact O-CA 3.18Å; V10-L75 HydrophobicContact CG1-CB 4.16Å; V10-L75 HydrophobicContact CG1-CD1 4.3Å; V10-L75 PolarHBondContact N-O 2.94Å; V10-L75 PolarHBondContact O-N 2.82Å; V10-L78 HydrophobicContact CB-CD1 4.03Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-V109 HydrophobicContact CG1-CG1 4.32Å; V10-V109 HydrophobicContact CG1-CG2 4.32Å
11	K	97.9	Very high	94.9	Very high	121 Å²	121	68 Å²	68	53%	0.526	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.5	174.4	-173.9	174.3	-179.4	174.2	0	109.7	Y72	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 HydrophobicContact CG-CD1 4.37Å
12	L	98.1	Very high	95.5	Very high	6 Å²	6	65.6 Å²	65.6	3%	0.031	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	147	175.4	-53.6	-175.4	0	0	0	109.7	E2 V10 W28 Y72 M73 Y86 T107 V109	E2-L12 HydrophobicContact CG-CD2 4.35Å; V10-L12 HydrophobicContact CG1-CD2 4.32Å; V10-L12 HydrophobicContact CG1-CG 4.42Å; V10-L12 HydrophobicContact CG2-CD2 4.02Å; L12-W28 HydrophobicContact CB-CH2 3.86Å; L12-W28 HydrophobicContact CB-CZ3 4.06Å; L12-W28 HydrophobicContact CD1-CZ3 4.42Å; L12-Y72 CarbonylContact O-C 3.6Å; L12-Y72 WeakPolarHBondContact O-CA 3.31Å; L12-M73 HydrophobicContact CD1-CE 3.71Å; L12-M73 HydrophobicContact CG-CE 4.49Å; L12-M73 PolarHBondContact N-O 2.82Å; L12-M73 PolarHBondContact O-N 3.04Å; L12-Y86 HydrophobicContact CD1-CD1 4.41Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.76Å; L12-T107 HydrophobicContact CD2-CG2 4.05Å; L12-V109 HydrophobicContact CD1-CG2 4.1Å; L12-V109 HydrophobicContact CD2-CG2 3.92Å
13	S	97.5	Very high	95.7	Very high	73 Å²	73	67.1 Å²	67.1	51%	0.51	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.4	176.5	62.8	0	0	0	0	110.9	V71 Y72	S13-V71 CarbonylContact C-O 3.43Å; S13-V71 WeakPolarHBondContact CA-O 3.35Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å
14	C	97.1	Very high	95.8	Very high	18 Å²	18	63.1 Å²	63.1	12%	0.122	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	110.3	171.4	172.5	0	0	0	0	108.8	W28 T70 V71 C88	C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.9Å; C14-T70 CarbonylContact O-C 3.52Å; C14-T70 WeakPolarHBondContact O-CA 3.36Å; C14-V71 HydrophobicContact CB-CG2 3.78Å; C14-V71 PolarHBondContact N-O 3.08Å; C14-V71 PolarHBondContact O-N 3.48Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.36Å; C14-C88 WeakPolarHBondContact SG-CB 3.34Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.99Å
15	K	96.9	Very high	95.8	Very high	154 Å²	154	63.4 Å²	63.4	67%	0.67	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.2	-179.6	-176.2	174.4	-177	-178.7	0	109.7
16	A	94.9	Very high	95.9	Very high	11 Å²	11	56.5 Å²	56.5	9%	0.091	35%	0.349	C	S	.	.			trans	-75.7	147.6	172.8	0	0	0	0	0	111.3	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.1Å; A16-Y19 HydrophobicContact CB-CE2 3.76Å; A16-Y19 VanDerWaalsContact CB-CZ 3.44Å; A16-Y19 VanDerWaalsContact CB-OH 3.24Å; A16-Y19 WeakPolarHBondContact CB-OH 3.09Å; A16-F21 HydrophobicContact CB-CB 4.09Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 4.07Å; A16-S69 WeakPolarHBondContact CB-O 3.34Å; A16-S69 PolarHBondContact N-O 2.93Å
17	S	93.1	Very high	95.9	Very high	98 Å²	98	53.8 Å²	53.8	69%	0.685	33%	0.33	S	S	*	.			trans	-151.8	141.2	176.8	59.1	0	0	0	0	110.3	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.39Å
18	G	92.3	Very high	96	Very high	90 Å²	90	51.4 Å²	51.4	93%	0.928	30%	0.304	S	S	*	.	S	Bend	trans	86.4	7.1	175.7	0	0	0	0	0	115.5
19	Y	90.9	Very high	96.1	Very high	52 Å²	52	49.9 Å²	49.9	20%	0.204	29%	0.291	C	S	.	.	S	Bend	trans	-154.5	165	176.7	58.9	-92.9	0	0	0	112	A16 S17 F21 Y24 I26	A16-Y19 HydrophobicContact CB-CE1 4.1Å; A16-Y19 HydrophobicContact CB-CE2 3.76Å; A16-Y19 VanDerWaalsContact CB-CZ 3.44Å; A16-Y19 VanDerWaalsContact CB-OH 3.24Å; A16-Y19 WeakPolarHBondContact CB-OH 3.09Å; S17-Y19 WeakPolarHBondContact O-CD1 3.39Å; Y19-F21 PolarHBondContact O-N 2.99Å; Y19-Y24 AromaticContact CD2-CD2 3.42Å; Y19-Y24 HydrophobicContact CD2-CD2 3.42Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.42Å; Y19-Y24 AromaticContact CD2-CE2 3.92Å; Y19-Y24 HydrophobicContact CD2-CE2 3.92Å; Y19-Y24 HydrophobicContact CD2-CG 4.25Å; Y19-Y24 AromaticContact CE2-CD2 3.97Å; Y19-Y24 HydrophobicContact CE2-CD2 3.97Å; Y19-Y24 HydrophobicContact CE2-CG 4.4Å; Y19-Y24 HydrophobicContact CG-CD2 4.22Å; Y19-Y24 HydrophobicContact CG-CE2 4.3Å; Y19-I26 HydrophobicContact CE2-CD1 4.45Å
20	T	94.7	Very high	96.1	Very high	72 Å²	72	47 Å²	47	44%	0.442	27%	0.27	S	S	.	.			trans	-71.4	94.1	175.1	-50.9	0	0	0	0	110.1	T22 E23 Y24	T20-T22 PolarHBondContact O-N 3.21Å; T20-E23 WeakPolarHBondContact CB-OE2 3.25Å; T20-E23 HydrophobicContact CG2-CB 4.45Å; T20-E23 HydrophobicContact CG2-CG 3.72Å; T20-E23 PolarHBondContact O-N 3.03Å; T20-Y24 WeakPolarHBondContact O-CD2 3.44Å
21	F	94.6	Very high	96.1	Very high	6 Å²	6	50 Å²	50	3%	0.026	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-49.3	-34.9	-174.1	173.1	-115.2	0	0	0	115.2	A16 Y19 E23 I26 P45 A64 V71	A16-F21 HydrophobicContact CB-CB 4.09Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 4.07Å; Y19-F21 PolarHBondContact O-N 2.99Å; F21-E23 VanDerWaalsContact C-N 3.28Å; F21-E23 PolarHBondContact O-N 3.01Å; F21-I26 HydrophobicContact CD2-CG1 4.47Å; F21-I26 HydrophobicContact CE2-CG1 3.96Å; F21-P45 HydrophobicContact CD1-CB 3.93Å; F21-P45 HydrophobicContact CD1-CG 4.07Å; F21-P45 HydrophobicContact CD2-CG 4.25Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 3.57Å; F21-P45 HydrophobicContact CE2-CG 3.79Å; F21-P45 HydrophobicContact CG-CG 4.41Å; F21-P45 HydrophobicContact CZ-CB 3.94Å; F21-P45 HydrophobicContact CZ-CG 3.44Å; F21-P45 VanDerWaalsContact CZ-CG 3.44Å; F21-A64 HydrophobicContact CE1-CB 4.37Å; F21-A64 HydrophobicContact CZ-CB 4.27Å; F21-V71 HydrophobicContact CE2-CG1 3.76Å; F21-V71 HydrophobicContact CZ-CB 4.49Å; F21-V71 HydrophobicContact CZ-CG1 3.5Å; F21-V71 VanDerWaalsContact CZ-CG1 3.5Å
22	T	95.8	Very high	96	Very high	53 Å²	53	47 Å²	47	33%	0.325	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-76.2	-10.9	-177.5	49.7	0	0	0	0	114.8	T20 Y44 P45 G46 K66	T20-T22 PolarHBondContact O-N 3.21Å; T22-Y44 WeakPolarHBondContact O-CE2 3.5Å; T22-Y44 PolarHBondContact O-OH 3.11Å; T22-P45 HydrophobicContact CG2-CB 4.45Å; T22-G46 WeakPolarHBondContact O-CA 3.41Å; T22-G46 PolarHBondContact O-N 2.89Å; T22-G46 VanDerWaalsContact O-N 3.17Å; T22-K66 HydrophobicContact CG2-CD 4.21Å; T22-K66 HydrophobicContact CG2-CG 4.48Å
23	E	94.9	Very high	95.6	Very high	121 Å²	121	52.7 Å²	52.7	57%	0.565	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-91.4	-7.5	179.4	-67.5	175.8	174.1	0	0	112.7	T20 F21	T20-E23 WeakPolarHBondContact CB-OE2 3.25Å; T20-E23 HydrophobicContact CG2-CB 4.45Å; T20-E23 HydrophobicContact CG2-CG 3.72Å; T20-E23 PolarHBondContact O-N 3.03Å; F21-E23 VanDerWaalsContact C-N 3.28Å; F21-E23 PolarHBondContact O-N 3.01Å
24	Y	95.5	Very high	95.4	Very high	44 Å²	44	53.4 Å²	53.4	17%	0.173	33%	0.328	C	S	.	.	S	Bend	trans	-121.8	143.4	-172.4	-67.7	-72.9	0	0	0	113.8	Y19 T20 P45 R90 H91 E92	Y19-Y24 AromaticContact CD2-CD2 3.42Å; Y19-Y24 HydrophobicContact CD2-CD2 3.42Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.42Å; Y19-Y24 AromaticContact CD2-CE2 3.92Å; Y19-Y24 HydrophobicContact CD2-CE2 3.92Å; Y19-Y24 HydrophobicContact CD2-CG 4.25Å; Y19-Y24 AromaticContact CE2-CD2 3.97Å; Y19-Y24 HydrophobicContact CE2-CD2 3.97Å; Y19-Y24 HydrophobicContact CE2-CG 4.4Å; Y19-Y24 HydrophobicContact CG-CD2 4.22Å; Y19-Y24 HydrophobicContact CG-CE2 4.3Å; T20-Y24 WeakPolarHBondContact O-CD2 3.44Å; Y24-P45 WeakPolarHBondContact O-CD 3.18Å; Y24-R90 HydrophobicContact CD1-CG 4.07Å; Y24-R90 HydrophobicContact CG-CG 4.01Å; Y24-H91 WeakPolarHBondContact CD1-O 3.39Å; Y24-E92 WeakPolarHBondContact CE1-OE1 3.02Å; Y24-E92 WeakPolarHBondContact CE1-OE2 3.46Å; Y24-E92 VanDerWaalsContact CZ-OE2 3.32Å; Y24-E92 PolarHBondContact OH-OE1 3.01Å; Y24-E92 VanDerWaalsContact OH-OE1 3.12Å; Y24-E92 PolarHBondContact OH-OE2 3.01Å
25	T	96.6	Very high	95.2	Very high	27 Å²	27	57.2 Å²	57.2	17%	0.166	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	130.9	171.7	-62.6	0	0	0	0	109.6	W42 H91	T25-W42 HydrophobicContact CG2-CB 3.65Å; T25-W42 HydrophobicContact CG2-CD2 3.64Å; T25-W42 HydrophobicContact CG2-CE3 3.52Å; T25-W42 HydrophobicContact CG2-CG 3.71Å; T25-W42 HydrophobicContact CG2-CZ3 4.35Å; T25-H91 PolarHBondContact O-N 2.85Å
26	I	97.8	Very high	95.1	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.1	179.2	-46.9	-59.6	0	0	0	109.6	Y19 F21 W42 F43 V71 C88 A89 R90	Y19-I26 HydrophobicContact CE2-CD1 4.45Å; F21-I26 HydrophobicContact CD2-CG1 4.47Å; F21-I26 HydrophobicContact CE2-CG1 3.96Å; I26-W42 CarbonylContact O-C 3.58Å; I26-W42 VanDerWaalsContact O-CA 3.24Å; I26-W42 WeakPolarHBondContact O-CA 3.35Å; I26-W42 WeakPolarHBondContact O-CB 3.32Å; I26-F43 PolarHBondContact N-O 2.77Å; I26-F43 PolarHBondContact O-N 2.82Å; I26-V71 HydrophobicContact CB-CG1 3.97Å; I26-V71 HydrophobicContact CB-CG2 4.1Å; I26-V71 HydrophobicContact CG1-CG1 4.03Å; I26-V71 HydrophobicContact CG2-CG1 4.41Å; I26-V71 HydrophobicContact CG2-CG2 3.6Å; I26-C88 HydrophobicContact CG2-CB 4.13Å; I26-A89 CarbonylContact C-O 3.57Å; I26-A89 WeakPolarHBondContact CA-O 3.32Å; I26-R90 HydrophobicContact CD1-CB 4.29Å; I26-R90 HydrophobicContact CD1-CG 4.26Å
27	H	98.1	Very high	95.2	Very high	18 Å²	18	56.5 Å²	56.5	8%	0.083	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	148.5	-179.4	-69.6	-117.7	0	0	0	110.6	W39 G41 W42 C88 A89 H91 F100	H27-W39 AromaticContact CE1-NE1 3.98Å; H27-W39 AromaticContact CG-NE1 3.87Å; H27-W39 AromaticContact ND1-CD1 3.68Å; H27-W39 AromaticContact ND1-CE2 3.96Å; H27-W39 AromaticContact ND1-NE1 3.03Å; H27-W39 PolarHBondContact ND1-NE1 2.79Å; H27-G41 WeakPolarHBondContact CA-O 3.18Å; H27-W42 HydrophobicContact CB-CB 4.41Å; H27-W42 AromaticContact CE1-CD1 3.45Å; H27-W42 VanDerWaalsContact CE1-CD1 3.45Å; H27-W42 AromaticContact CE1-CG 3.87Å; H27-W42 AromaticContact ND1-CD1 3.96Å; H27-W42 AromaticContact NE2-CD1 3.94Å; H27-W42 AromaticContact NE2-CG 4Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; H27-A89 PolarHBondContact N-O 3.36Å; H27-A89 PolarHBondContact O-N 2.83Å; H27-H91 AromaticContact NE2-CG 3.96Å; H27-F100 HydrophobicContact CB-CE1 4.07Å; H27-F100 HydrophobicContact CB-CZ 4.01Å; H27-F100 AromaticContact CD2-CE1 3.59Å; H27-F100 AromaticContact CE1-CE1 3.75Å; H27-F100 AromaticContact CE1-CZ 3.88Å; H27-F100 AromaticContact CG-CE1 3.49Å; H27-F100 VanDerWaalsContact CG-CE1 3.49Å; H27-F100 AromaticContact CG-CZ 3.61Å; H27-F100 AromaticContact ND1-CE1 3.59Å; H27-F100 AromaticContact ND1-CZ 3.4Å; H27-F100 WeakPolarHBondContact ND1-CZ 3.35Å; H27-F100 AromaticContact NE2-CE1 3.79Å
28	W	98.4	Very high	95.4	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.019	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.7	167.7	-74.7	95.1	0	0	0	110.1	L12 C14 I40 G41 L62 V71 M73 F87 C88	L12-W28 HydrophobicContact CB-CH2 3.86Å; L12-W28 HydrophobicContact CB-CZ3 4.06Å; L12-W28 HydrophobicContact CD1-CZ3 4.42Å; C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.9Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 2.92Å; W28-G41 PolarHBondContact N-O 2.81Å; W28-L62 HydrophobicContact CG-CD2 4.33Å; W28-V71 HydrophobicContact CZ2-CG2 4Å; W28-M73 HydrophobicContact CB-SD 3.98Å; W28-M73 HydrophobicContact CD2-CB 3.77Å; W28-M73 HydrophobicContact CD2-CE 4.17Å; W28-M73 HydrophobicContact CD2-SD 4.14Å; W28-M73 HydrophobicContact CE3-CB 4.27Å; W28-M73 HydrophobicContact CE3-CE 3.79Å; W28-M73 HydrophobicContact CE3-SD 4.35Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 4.38Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CE 4.27Å; W28-F87 WeakPolarHBondContact CA-O 3.36Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.34Å; W28-C88 HydrophobicContact CH2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.33Å
29	V	98.2	Very high	95.7	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.024	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.8	-174.9	-174.5	0	0	0	0	109.1	L37 E38 Y86 F87 W103	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; V29-E38 WeakPolarHBondContact CA-O 3.49Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; V29-F87 PolarHBondContact N-O 2.91Å; V29-F87 PolarHBondContact O-N 3.47Å; V29-W103 HydrophobicContact CB-CZ3 4.16Å; V29-W103 HydrophobicContact CG1-CZ3 4.4Å; V29-W103 HydrophobicContact CG2-CH2 4.15Å; V29-W103 HydrophobicContact CG2-CZ3 4.05Å
30	K	97.4	Very high	96	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	140.5	176	-178	-178.3	179.7	-177.2	0	109.8	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 3.43Å; K30-E38 PolarHBondContact O-N 3.08Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; K30-F56 HydrophobicContact CD-CE1 4.15Å; K30-F56 HydrophobicContact CD-CZ 4.19Å; K30-E81 PolarHBondContact NZ-O 2.87Å; K30-D82 IonicContact NZ-OD1 3.03Å; K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-A84 VanDerWaalsContact CG-CB 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 WeakPolarHBondContact CE-OH 3.14Å; K30-Y86 HydrophobicContact CG-CD1 4.21Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å
31	Q	97.8	Very high	96.2	Very high	75 Å²	75	46.8 Å²	46.8	35%	0.35	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	114.8	169.7	-164.6	-179.1	22.8	0	0	110.4	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.91Å; Q31-L37 HydrophobicContact CG-CD2 4.02Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.24Å; Q31-V85 PolarHBondContact N-O 2.79Å; Q31-V85 PolarHBondContact O-N 2.83Å; Q31-F87 HydrophobicContact CB-CD2 4.46Å; Q31-F87 HydrophobicContact CB-CE2 3.83Å
32	R	95.6	Very high	96.3	Very high	56 Å²	56	49.4 Å²	49.4	21%	0.211	28%	0.282	C	S	.	.			trans	-82.3	152.2	168.8	-63.7	-169.6	-175.9	117.1	-10.5	110.1	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.92Å; R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.07Å; R32-Q35 PolarHBondContact O-N 3.46Å; R32-E38 IonicContact CZ-OE1 3.06Å; R32-E38 IonicContact NH1-OE1 3.62Å; R32-E38 PolarHBondContact NH1-OE1 2.89Å; R32-E81 PolarHBondContact NE-O 3.13Å; R32-E81 PolarHBondContact NH2-O 3.02Å; R32-A84 HydrophobicContact CG-CB 4.23Å
33	S	90.8	Very high	96.5	Very high	127 Å²	127	48.1 Å²	48.1	89%	0.888	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	127.3	174.8	-170.4	0	0	0	0	110.5	Q35	S33-Q35 PolarHBondContact O-N 2.86Å
34	G	91.9	Very high	96.6	Very high	88 Å²	88	45.8 Å²	45.8	91%	0.907	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	5.4	-178.3	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.92Å
35	Q	94.1	Very high	96.6	Very high	97 Å²	97	43.7 Å²	43.7	45%	0.453	25%	0.25	S	S	.	.	S	Bend	trans	-114.5	161.5	176.9	-59.3	-170.8	-5.3	0	0	111.9	R32 S33	R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.07Å; R32-Q35 PolarHBondContact O-N 3.46Å; S33-Q35 PolarHBondContact O-N 2.86Å
36	G	94.8	Very high	96.6	Very high	55 Å²	55	43.9 Å²	43.9	57%	0.567	26%	0.257	S	S	*	.			trans	-69.2	177.4	173	0	0	0	0	0	113.1
37	L	96.5	Very high	96.5	Very high	95 Å²	95	47.3 Å²	47.3	50%	0.497	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129.2	174.7	-64.8	175.7	0	0	0	110.6	V29 Q31 W103	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; Q31-L37 HydrophobicContact CB-CD2 3.91Å; Q31-L37 HydrophobicContact CG-CD2 4.02Å; L37-W103 HydrophobicContact CD1-CH2 3.87Å; L37-W103 HydrophobicContact CD1-CZ3 4.44Å
38	E	97.3	Very high	96.4	Very high	37 Å²	37	48 Å²	48	17%	0.173	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115	174.7	-65.9	-169.7	-113.6	0	0	109.7	V29 K30 R32	V29-E38 WeakPolarHBondContact CA-O 3.49Å; K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 3.43Å; K30-E38 PolarHBondContact O-N 3.08Å; R32-E38 IonicContact CZ-OE1 3.06Å; R32-E38 IonicContact NH1-OE1 3.62Å; R32-E38 PolarHBondContact NH1-OE1 2.89Å
39	W	97.8	Very high	96.4	Very high	72 Å²	72	50.6 Å²	50.6	27%	0.273	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.9	176.8	178.3	69.9	0	0	0	111.2	H27 G41 W42 K51 N53	H27-W39 AromaticContact CE1-NE1 3.98Å; H27-W39 AromaticContact CG-NE1 3.87Å; H27-W39 AromaticContact ND1-CD1 3.68Å; H27-W39 AromaticContact ND1-CE2 3.96Å; H27-W39 AromaticContact ND1-NE1 3.03Å; H27-W39 PolarHBondContact ND1-NE1 2.79Å; W39-G41 VanDerWaalsContact CZ2-C 3.41Å; W39-G41 PolarHBondContact NE1-O 3.27Å; W39-W42 HydrophobicContact CZ2-CB 4.42Å; W39-W42 AromaticContact CZ2-CD1 3.39Å; W39-W42 HydrophobicContact CZ2-CG 4.14Å; W39-K51 HydrophobicContact CH2-CB 4.41Å; W39-K51 HydrophobicContact CH2-CD 4.18Å; W39-K51 HydrophobicContact CH2-CG 4.09Å; W39-N53 HydrophobicContact CE3-CB 3.72Å; W39-N53 HydrophobicContact CZ3-CB 3.73Å; W39-N53 WeakPolarHBondContact O-CB 3.39Å; W39-N53 PolarHBondContact O-ND2 2.85Å
40	I	98.3	Very high	96.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-47	-177.7	-59.8	176.5	0	0	0	110.9	W28 K30 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 2.92Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; I40-N53 WeakPolarHBondContact O-CB 3.42Å; I40-N53 PolarHBondContact O-N 3.34Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.26Å; I40-F56 HydrophobicContact CG1-CD2 4.3Å; I40-F56 HydrophobicContact CG1-CE1 4.18Å; I40-F56 HydrophobicContact CG1-CE2 4.21Å; I40-F56 HydrophobicContact CG1-CG 4.31Å; I40-F56 HydrophobicContact CG1-CZ 4.15Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.3Å; I40-F56 HydrophobicContact CG2-CG 3.81Å; I40-A60 HydrophobicContact CG2-CB 3.87Å; I40-M73 HydrophobicContact CD1-CE 3.95Å; I40-M73 HydrophobicContact CD1-SD 3.62Å; I40-M73 HydrophobicContact CG2-SD 3.93Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.77Å
41	G	98	Very high	96.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	176.4	-168.5	0	0	0	0	0	111.7	H27 W28 W39 K51	H27-G41 WeakPolarHBondContact CA-O 3.18Å; W28-G41 PolarHBondContact N-O 2.81Å; W39-G41 VanDerWaalsContact CZ2-C 3.41Å; W39-G41 PolarHBondContact NE1-O 3.27Å; G41-K51 CarbonylContact C-O 3.58Å; G41-K51 WeakPolarHBondContact CA-O 3.46Å
42	W	97.8	Very high	96.4	Very high	61 Å²	61	58.2 Å²	58.2	23%	0.231	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155.8	171.3	61.9	-114.4	0	0	0	111.6	T25 I26 H27 W39 S49 I50 K51	T25-W42 HydrophobicContact CG2-CB 3.65Å; T25-W42 HydrophobicContact CG2-CD2 3.64Å; T25-W42 HydrophobicContact CG2-CE3 3.52Å; T25-W42 HydrophobicContact CG2-CG 3.71Å; T25-W42 HydrophobicContact CG2-CZ3 4.35Å; I26-W42 CarbonylContact O-C 3.58Å; I26-W42 VanDerWaalsContact O-CA 3.24Å; I26-W42 WeakPolarHBondContact O-CA 3.35Å; I26-W42 WeakPolarHBondContact O-CB 3.32Å; H27-W42 HydrophobicContact CB-CB 4.41Å; H27-W42 AromaticContact CE1-CD1 3.45Å; H27-W42 VanDerWaalsContact CE1-CD1 3.45Å; H27-W42 AromaticContact CE1-CG 3.87Å; H27-W42 AromaticContact ND1-CD1 3.96Å; H27-W42 AromaticContact NE2-CD1 3.94Å; H27-W42 AromaticContact NE2-CG 4Å; W39-W42 HydrophobicContact CZ2-CB 4.42Å; W39-W42 AromaticContact CZ2-CD1 3.39Å; W39-W42 HydrophobicContact CZ2-CG 4.14Å; W42-S49 WeakPolarHBondContact CZ3-O 3.27Å; W42-I50 WeakPolarHBondContact O-CA 3.02Å; W42-I50 WeakPolarHBondContact O-CG1 3.32Å; W42-K51 HydrophobicContact CD2-CB 3.93Å; W42-K51 HydrophobicContact CG-CB 4.3Å; W42-K51 HydrophobicContact CH2-CB 4.39Å; W42-K51 HydrophobicContact CZ2-CB 3.61Å; W42-K51 HydrophobicContact CZ2-CD 4.24Å; W42-K51 PolarHBondContact N-O 2.81Å; W42-K51 PolarHBondContact O-N 2.79Å
43	F	98.2	Very high	96.5	Very high	25 Å²	25	57.6 Å²	57.6	11%	0.11	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.6	173.6	-168.6	-86.8	0	0	0	109.3	I26 P45 I50 L62 A64	I26-F43 PolarHBondContact N-O 2.77Å; I26-F43 PolarHBondContact O-N 2.82Å; F43-P45 HydrophobicContact CD1-CG 4.22Å; F43-P45 HydrophobicContact CE1-CB 4.44Å; F43-P45 WeakPolarHBondContact O-CD 3.42Å; F43-I50 HydrophobicContact CD2-CB 4.11Å; F43-I50 HydrophobicContact CD2-CD1 4.01Å; F43-I50 HydrophobicContact CD2-CG1 4.13Å; F43-L62 HydrophobicContact CB-CB 4.3Å; F43-L62 HydrophobicContact CD2-CB 4.3Å; F43-A64 HydrophobicContact CD1-CB 3.7Å; F43-A64 HydrophobicContact CE1-CB 3.35Å; F43-A64 HydrophobicContact CZ-CB 4.1Å
44	Y	97.4	Very high	96.8	Very high	73 Å²	73	58 Å²	58	29%	0.286	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	106.4	174.2	179	-133.7	0	0	0	109.7	T22 G46 S47 G48 S49	T22-Y44 WeakPolarHBondContact O-CE2 3.5Å; T22-Y44 PolarHBondContact O-OH 3.11Å; Y44-G46 VanDerWaalsContact C-N 3.25Å; Y44-G46 PolarHBondContact O-N 2.78Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.3Å; Y44-G48 VanDerWaalsContact O-CA 3.29Å; Y44-G48 WeakPolarHBondContact O-CA 3.11Å; Y44-G48 PolarHBondContact O-N 2.77Å; Y44-S49 PolarHBondContact N-O 2.94Å
45	P	96.5	Very high	96.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-22.4	-173.8	-17	31.2	0	0	0	114.3	F21 T22 Y24 F43 A64 K66 V71	F21-P45 HydrophobicContact CD1-CB 3.93Å; F21-P45 HydrophobicContact CD1-CG 4.07Å; F21-P45 HydrophobicContact CD2-CG 4.25Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 3.57Å; F21-P45 HydrophobicContact CE2-CG 3.79Å; F21-P45 HydrophobicContact CG-CG 4.41Å; F21-P45 HydrophobicContact CZ-CB 3.94Å; F21-P45 HydrophobicContact CZ-CG 3.44Å; F21-P45 VanDerWaalsContact CZ-CG 3.44Å; T22-P45 HydrophobicContact CG2-CB 4.45Å; Y24-P45 WeakPolarHBondContact O-CD 3.18Å; F43-P45 HydrophobicContact CD1-CG 4.22Å; F43-P45 HydrophobicContact CE1-CB 4.44Å; F43-P45 WeakPolarHBondContact O-CD 3.42Å; P45-A64 HydrophobicContact CB-CB 4.46Å; P45-K66 WeakPolarHBondContact O-CE 3.32Å; P45-K66 PolarHBondContact O-NZ 3.47Å; P45-V71 HydrophobicContact CG-CG1 4.35Å
46	G	95.8	Very high	97	Very high	30 Å²	30	57 Å²	57	31%	0.309	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-61.4	176.3	0	0	0	0	0	112	T22 Y44 K66	T22-G46 WeakPolarHBondContact O-CA 3.41Å; T22-G46 PolarHBondContact O-N 2.89Å; T22-G46 VanDerWaalsContact O-N 3.17Å; Y44-G46 VanDerWaalsContact C-N 3.25Å; Y44-G46 PolarHBondContact O-N 2.78Å; G46-K66 PolarHBondContact O-NZ 3.14Å; G46-K66 VanDerWaalsContact O-NZ 3.17Å
47	S	96.2	Very high	97	Very high	74 Å²	74	59.5 Å²	59.5	52%	0.517	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-15.7	-178.8	64.8	0	0	0	0	114.7	Y44 S49	Y44-S47 WeakPolarHBondContact CD1-OG 3.3Å; S47-S49 VanDerWaalsContact C-N 3.27Å; S47-S49 VanDerWaalsContact OG-CB 3.27Å; S47-S49 WeakPolarHBondContact OG-CB 3.33Å; S47-S49 PolarHBondContact OG-N 3.43Å; S47-S49 VanDerWaalsContact OG-N 3.1Å; S47-S49 PolarHBondContact OG-OG 2.79Å
48	G	96.4	Very high	97	Very high	34 Å²	34	61.2 Å²	61.2	35%	0.351	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	12.8	-167.7	0	0	0	0	0	113.7	Y44	Y44-G48 VanDerWaalsContact O-CA 3.29Å; Y44-G48 WeakPolarHBondContact O-CA 3.11Å; Y44-G48 PolarHBondContact O-N 2.77Å
49	S	97.3	Very high	96.9	Very high	58 Å²	58	61.4 Å²	61.4	41%	0.406	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	145.1	175.5	-64.6	0	0	0	0	111	W42 Y44 S47	W42-S49 WeakPolarHBondContact CZ3-O 3.27Å; Y44-S49 PolarHBondContact N-O 2.94Å; S47-S49 VanDerWaalsContact C-N 3.27Å; S47-S49 VanDerWaalsContact OG-CB 3.27Å; S47-S49 WeakPolarHBondContact OG-CB 3.33Å; S47-S49 PolarHBondContact OG-N 3.43Å; S47-S49 VanDerWaalsContact OG-N 3.1Å; S47-S49 PolarHBondContact OG-OG 2.79Å
50	I	97.7	Very high	96.9	Very high	68 Å²	68	58.1 Å²	58.1	35%	0.349	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.9	-175.1	-169	170.3	0	0	0	110.2	W42 F43 Y52 L62	W42-I50 WeakPolarHBondContact O-CA 3.02Å; W42-I50 WeakPolarHBondContact O-CG1 3.32Å; F43-I50 HydrophobicContact CD2-CB 4.11Å; F43-I50 HydrophobicContact CD2-CD1 4.01Å; F43-I50 HydrophobicContact CD2-CG1 4.13Å; I50-Y52 HydrophobicContact CD1-CD2 4.48Å; I50-Y52 HydrophobicContact CD1-CE1 4.19Å; I50-Y52 HydrophobicContact CD1-CE2 3.47Å; I50-Y52 VanDerWaalsContact CD1-CE2 3.47Å; I50-Y52 WeakPolarHBondContact CD1-OH 3.4Å; I50-Y52 HydrophobicContact CG1-CD2 4.36Å; I50-Y52 HydrophobicContact CG1-CE2 3.78Å; I50-Y52 HydrophobicContact CG2-CE2 4.47Å; I50-L62 HydrophobicContact CD1-CB 3.65Å; I50-L62 HydrophobicContact CD1-CD1 4.22Å; I50-L62 HydrophobicContact CD1-CG 4.03Å; I50-L62 HydrophobicContact CG1-CB 4.39Å; I50-L62 HydrophobicContact CG1-CD1 4.18Å
51	K	97.9	Very high	96.9	Very high	120 Å²	120	61.5 Å²	61.5	52%	0.522	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.3	171.1	-166.4	-178.4	179.9	176.7	0	109.8	W39 G41 W42	W39-K51 HydrophobicContact CH2-CB 4.41Å; W39-K51 HydrophobicContact CH2-CD 4.18Å; W39-K51 HydrophobicContact CH2-CG 4.09Å; G41-K51 CarbonylContact C-O 3.58Å; G41-K51 WeakPolarHBondContact CA-O 3.46Å; W42-K51 HydrophobicContact CD2-CB 3.93Å; W42-K51 HydrophobicContact CG-CB 4.3Å; W42-K51 HydrophobicContact CH2-CB 4.39Å; W42-K51 HydrophobicContact CZ2-CB 3.61Å; W42-K51 HydrophobicContact CZ2-CD 4.24Å; W42-K51 PolarHBondContact N-O 2.81Å; W42-K51 PolarHBondContact O-N 2.79Å
52	Y	98.3	Very high	96.9	Very high	52 Å²	52	61.8 Å²	61.8	20%	0.204	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	153.2	175.9	-65.2	-82.5	0	0	0	110.8	I50 A60 L62	I50-Y52 HydrophobicContact CD1-CD2 4.48Å; I50-Y52 HydrophobicContact CD1-CE1 4.19Å; I50-Y52 HydrophobicContact CD1-CE2 3.47Å; I50-Y52 VanDerWaalsContact CD1-CE2 3.47Å; I50-Y52 WeakPolarHBondContact CD1-OH 3.4Å; I50-Y52 HydrophobicContact CG1-CD2 4.36Å; I50-Y52 HydrophobicContact CG1-CE2 3.78Å; I50-Y52 HydrophobicContact CG2-CE2 4.47Å; Y52-A60 HydrophobicContact CE1-CB 4.32Å; Y52-A60 WeakPolarHBondContact CE1-O 3.42Å; Y52-A60 PolarHBondContact OH-O 2.56Å; Y52-L62 HydrophobicContact CD1-CD1 4.48Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CD2 4.39Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.06Å; Y52-L62 VanDerWaalsContact OH-N 3.09Å
53	N	97.6	Very high	97	Very high	43 Å²	43	61.7 Å²	61.7	23%	0.23	33%	0.325	C	S	.	.			trans	-74.1	134.4	153.2	-178.7	-23	0	0	0	108	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.72Å; W39-N53 HydrophobicContact CZ3-CB 3.73Å; W39-N53 WeakPolarHBondContact O-CB 3.39Å; W39-N53 PolarHBondContact O-ND2 2.85Å; I40-N53 WeakPolarHBondContact O-CB 3.42Å; I40-N53 PolarHBondContact O-N 3.34Å; N53-K55 PolarHBondContact O-N 2.85Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.08Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.88Å; N53-K57 PolarHBondContact O-N 3.14Å
54	E	96.4	Very high	96.9	Very high	135 Å²	135	62 Å²	62	63%	0.631	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-54.4	-31.7	-177.9	-66.7	-59.1	145.2	0	0	112.7	F56 K57	E54-F56 PolarHBondContact O-N 2.87Å; E54-F56 VanDerWaalsContact O-N 3.17Å; E54-K57 PolarHBondContact O-N 2.85Å; E54-K57 IonicContact OE1-NZ 3.62Å; E54-K57 WeakPolarHBondContact OE2-CD 3.05Å; E54-K57 IonicContact OE2-NZ 2.91Å; E54-K57 PolarHBondContact OE2-NZ 2.83Å
55	K	94.8	Very high	96.9	Very high	156 Å²	156	61 Å²	61	68%	0.678	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.5	175.4	-69.1	-175	178.6	-178.7	0	114.4	N53	N53-K55 PolarHBondContact O-N 2.85Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.08Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å
56	F	96.4	Very high	96.8	Very high	10 Å²	10	66.3 Å²	66.3	4%	0.044	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-115.5	-4.1	-172.4	-63.8	-84.6	0	0	0	113.4	K30 I40 N53 E54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.15Å; K30-F56 HydrophobicContact CD-CZ 4.19Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.26Å; I40-F56 HydrophobicContact CG1-CD2 4.3Å; I40-F56 HydrophobicContact CG1-CE1 4.18Å; I40-F56 HydrophobicContact CG1-CE2 4.21Å; I40-F56 HydrophobicContact CG1-CG 4.31Å; I40-F56 HydrophobicContact CG1-CZ 4.15Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.3Å; I40-F56 HydrophobicContact CG2-CG 3.81Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.88Å; E54-F56 PolarHBondContact O-N 2.87Å; E54-F56 VanDerWaalsContact O-N 3.17Å; F56-D58 VanDerWaalsContact C-N 3.29Å; F56-D58 PolarHBondContact O-N 2.93Å; F56-K59 PolarHBondContact O-N 3.36Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 3.03Å
57	K	94.9	Very high	96.8	Very high	106 Å²	106	70.1 Å²	70.1	46%	0.461	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-38.3	-173.5	-172.2	177	-176.9	175.6	0	113.9	N53 E54 K59	N53-K57 PolarHBondContact O-N 3.14Å; E54-K57 PolarHBondContact O-N 2.85Å; E54-K57 IonicContact OE1-NZ 3.62Å; E54-K57 WeakPolarHBondContact OE2-CD 3.05Å; E54-K57 IonicContact OE2-NZ 2.91Å; E54-K57 PolarHBondContact OE2-NZ 2.83Å; K57-K59 VanDerWaalsContact C-N 3.33Å
58	D	95.4	Very high	96.8	Very high	131 Å²	131	68.3 Å²	68.3	70%	0.701	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	2.3	178.4	-60.1	-36.5	0	0	0	113.2	F56 R77	F56-D58 VanDerWaalsContact C-N 3.29Å; F56-D58 PolarHBondContact O-N 2.93Å; D58-R77 PolarHBondContact O-NH2 2.8Å
59	K	96.3	Very high	96.9	Very high	42 Å²	42	68.6 Å²	68.6	18%	0.183	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-40.3	-171.8	-162.1	166.5	-163.2	169.6	0	113.3	F56 K57 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.36Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K59-L75 WeakPolarHBondContact O-CA 2.91Å; K59-S76 WeakPolarHBondContact CG-O 3.36Å; K59-S76 PolarHBondContact O-N 2.97Å; K59-S76 PolarHBondContact O-OG 3.11Å; K59-D82 WeakPolarHBondContact CE-OD1 3.46Å; K59-D82 WeakPolarHBondContact CE-OD2 3.43Å; K59-D82 IonicContact NZ-OD1 3.54Å; K59-D82 PolarHBondContact NZ-OD1 2.88Å; K59-D82 IonicContact NZ-OD2 2.74Å; K59-D82 PolarHBondContact NZ-OD2 3.4Å
60	A	97.9	Very high	96.9	Very high	2 Å²	2	66.2 Å²	66.2	2%	0.017	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137	-177.3	0	0	0	0	0	110.9	I40 Y52 F56 M73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.87Å; Y52-A60 HydrophobicContact CE1-CB 4.32Å; Y52-A60 WeakPolarHBondContact CE1-O 3.42Å; Y52-A60 PolarHBondContact OH-O 2.56Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 3.03Å; A60-M73 HydrophobicContact CB-CG 4.27Å; A60-M73 HydrophobicContact CB-SD 4.3Å; A60-E74 CarbonylContact C-O 3.58Å; A60-E74 WeakPolarHBondContact CA-O 3.42Å; A60-L75 HydrophobicContact CB-CD2 3.87Å
61	T	98.3	Very high	96.9	Very high	71 Å²	71	63 Å²	63	44%	0.436	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.6	169	-59.3	0	0	0	0	108.3	T63 M73 E74	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T61-M73 WeakPolarHBondContact O-CA 3.46Å; T61-E74 PolarHBondContact N-O 2.02Å; T61-E74 PolarHBondContact O-N 2.91Å
62	L	98.4	Very high	96.9	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.037	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.2	177.2	-37.1	176.2	0	0	0	110.8	W28 F43 I50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.33Å; F43-L62 HydrophobicContact CB-CB 4.3Å; F43-L62 HydrophobicContact CD2-CB 4.3Å; I50-L62 HydrophobicContact CD1-CB 3.65Å; I50-L62 HydrophobicContact CD1-CD1 4.22Å; I50-L62 HydrophobicContact CD1-CG 4.03Å; I50-L62 HydrophobicContact CG1-CB 4.39Å; I50-L62 HydrophobicContact CG1-CD1 4.18Å; Y52-L62 HydrophobicContact CD1-CD1 4.48Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CD2 4.39Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.06Å; Y52-L62 VanDerWaalsContact OH-N 3.09Å; L62-Y72 WeakPolarHBondContact CA-O 2.98Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.57Å; L62-M73 HydrophobicContact CD2-SD 4.1Å
63	T	97.9	Very high	96.9	Very high	59 Å²	59	57.4 Å²	57.4	36%	0.362	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	167.8	177.1	56.4	0	0	0	0	110.2	T61 V71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T63-V71 CarbonylContact O-C 3.58Å; T63-V71 WeakPolarHBondContact O-CA 2.98Å; T63-Y72 PolarHBondContact N-O 2.74Å; T63-Y72 PolarHBondContact O-N 2.6Å
64	A	97.4	Very high	96.9	Very high	31 Å²	31	59.5 Å²	59.5	26%	0.256	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	144.9	173.6	0	0	0	0	0	111.5	F21 F43 P45 T70 V71	F21-A64 HydrophobicContact CE1-CB 4.37Å; F21-A64 HydrophobicContact CZ-CB 4.27Å; F43-A64 HydrophobicContact CD1-CB 3.7Å; F43-A64 HydrophobicContact CE1-CB 3.35Å; F43-A64 HydrophobicContact CZ-CB 4.1Å; P45-A64 HydrophobicContact CB-CB 4.46Å; A64-T70 CarbonylContact C-O 3.49Å; A64-T70 WeakPolarHBondContact CA-O 3.5Å; A64-V71 HydrophobicContact CB-CG1 4.09Å
65	D	96.9	Very high	97	Very high	53 Å²	53	53 Å²	53	28%	0.283	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	108	164	174.7	8.4	0	0	0	108.4	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.88Å; D65-S67 WeakPolarHBondContact OD1-CB 3.46Å; D65-S67 PolarHBondContact OD1-N 2.92Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 3.19Å; D65-S68 WeakPolarHBondContact CB-OG 3.39Å; D65-S68 PolarHBondContact OD1-N 2.91Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 3.08Å; D65-S69 PolarHBondContact O-N 3.23Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 3.49Å; D65-T70 PolarHBondContact O-N 3.25Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å
66	K	95.3	Very high	97.1	Very high	111 Å²	111	47 Å²	47	48%	0.483	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-30	-178.8	-53.7	-170.6	-165.7	-162.2	0	111.8	T22 P45 G46 S69	T22-K66 HydrophobicContact CG2-CD 4.21Å; T22-K66 HydrophobicContact CG2-CG 4.48Å; P45-K66 WeakPolarHBondContact O-CE 3.32Å; P45-K66 PolarHBondContact O-NZ 3.47Å; G46-K66 PolarHBondContact O-NZ 3.14Å; G46-K66 VanDerWaalsContact O-NZ 3.17Å; K66-S69 PolarHBondContact O-N 2.85Å
67	S	94.8	Very high	97.1	Very high	110 Å²	110	54.2 Å²	54.2	77%	0.769	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-38.4	-177.5	73.2	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.88Å; D65-S67 WeakPolarHBondContact OD1-CB 3.46Å; D65-S67 PolarHBondContact OD1-N 2.92Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 3.19Å
68	S	96.8	Very high	97.2	Very high	36 Å²	36	49.2 Å²	49.2	25%	0.252	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	2.7	176.4	64.7	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.39Å; D65-S68 PolarHBondContact OD1-N 2.91Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 3.08Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-OG1 3.17Å; S68-T70 PolarHBondContact OG-OG1 2.74Å
69	S	97.3	Very high	97.3	Very high	39 Å²	39	45.8 Å²	45.8	27%	0.273	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	43.3	-175.4	-63	0	0	0	0	113	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.34Å; A16-S69 PolarHBondContact N-O 2.93Å; D65-S69 PolarHBondContact O-N 3.23Å; D65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 2.85Å
70	T	98.1	Very high	97.2	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.049	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127	-172.7	-58.4	0	0	0	0	110.8	C14 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.52Å; C14-T70 WeakPolarHBondContact O-CA 3.36Å; A64-T70 CarbonylContact C-O 3.49Å; A64-T70 WeakPolarHBondContact CA-O 3.5Å; D65-T70 PolarHBondContact N-O 3.49Å; D65-T70 PolarHBondContact O-N 3.25Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-OG1 3.17Å; S68-T70 PolarHBondContact OG-OG1 2.74Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 3.69Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å
71	V	97.6	Very high	97	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	148.2	163.7	-65.5	0	0	0	0	110.2	S13 C14 F21 I26 W28 P45 T63 A64	S13-V71 CarbonylContact C-O 3.43Å; S13-V71 WeakPolarHBondContact CA-O 3.35Å; C14-V71 HydrophobicContact CB-CG2 3.78Å; C14-V71 PolarHBondContact N-O 3.08Å; C14-V71 PolarHBondContact O-N 3.48Å; F21-V71 HydrophobicContact CE2-CG1 3.76Å; F21-V71 HydrophobicContact CZ-CB 4.49Å; F21-V71 HydrophobicContact CZ-CG1 3.5Å; F21-V71 VanDerWaalsContact CZ-CG1 3.5Å; I26-V71 HydrophobicContact CB-CG1 3.97Å; I26-V71 HydrophobicContact CB-CG2 4.1Å; I26-V71 HydrophobicContact CG1-CG1 4.03Å; I26-V71 HydrophobicContact CG2-CG1 4.41Å; I26-V71 HydrophobicContact CG2-CG2 3.6Å; W28-V71 HydrophobicContact CZ2-CG2 4Å; P45-V71 HydrophobicContact CG-CG1 4.35Å; T63-V71 CarbonylContact O-C 3.58Å; T63-V71 WeakPolarHBondContact O-CA 2.98Å; A64-V71 HydrophobicContact CB-CG1 4.09Å
72	Y	98.3	Very high	96.9	Very high	54 Å²	54	50.6 Å²	50.6	21%	0.212	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.8	176	-56	-90.3	0	0	0	110.5	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 HydrophobicContact CG-CD1 4.37Å; L12-Y72 CarbonylContact O-C 3.6Å; L12-Y72 WeakPolarHBondContact O-CA 3.31Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å; L62-Y72 WeakPolarHBondContact CA-O 2.98Å; T63-Y72 PolarHBondContact N-O 2.74Å; T63-Y72 PolarHBondContact O-N 2.6Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 3.69Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å
73	M	98.4	Very high	96.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.8	166.6	176.5	178.6	67.3	0	0	108.6	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.71Å; L12-M73 HydrophobicContact CG-CE 4.49Å; L12-M73 PolarHBondContact N-O 2.82Å; L12-M73 PolarHBondContact O-N 3.04Å; W28-M73 HydrophobicContact CB-SD 3.98Å; W28-M73 HydrophobicContact CD2-CB 3.77Å; W28-M73 HydrophobicContact CD2-CE 4.17Å; W28-M73 HydrophobicContact CD2-SD 4.14Å; W28-M73 HydrophobicContact CE3-CB 4.27Å; W28-M73 HydrophobicContact CE3-CE 3.79Å; W28-M73 HydrophobicContact CE3-SD 4.35Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 4.38Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CE 4.27Å; I40-M73 HydrophobicContact CD1-CE 3.95Å; I40-M73 HydrophobicContact CD1-SD 3.62Å; I40-M73 HydrophobicContact CG2-SD 3.93Å; A60-M73 HydrophobicContact CB-CG 4.27Å; A60-M73 HydrophobicContact CB-SD 4.3Å; T61-M73 WeakPolarHBondContact O-CA 3.46Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.57Å; L62-M73 HydrophobicContact CD2-SD 4.1Å; M73-L75 HydrophobicContact CE-CD1 3.79Å; M73-L75 HydrophobicContact CE-CD2 4.19Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CD2 4.31Å; M73-L75 HydrophobicContact CG-CG 4.24Å; M73-L75 HydrophobicContact SD-CD2 3.97Å; M73-L75 HydrophobicContact SD-CG 4.22Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.23Å
74	E	98.3	Very high	96.8	Very high	87 Å²	87	49.8 Å²	49.8	41%	0.407	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121	169.1	-172.9	173.2	172.9	0	0	109.3	V10 A60 T61	V10-E74 CarbonylContact O-C 3.52Å; V10-E74 WeakPolarHBondContact O-CA 3.18Å; A60-E74 CarbonylContact C-O 3.58Å; A60-E74 WeakPolarHBondContact CA-O 3.42Å; T61-E74 PolarHBondContact N-O 2.02Å; T61-E74 PolarHBondContact O-N 2.91Å
75	L	97.8	Very high	96.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.8	173.2	-65.5	166.8	0	0	0	108.6	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.39Å; S9-L75 WeakPolarHBondContact CA-O 3.47Å; S9-L75 WeakPolarHBondContact CB-O 3.46Å; V10-L75 HydrophobicContact CG1-CB 4.16Å; V10-L75 HydrophobicContact CG1-CD1 4.3Å; V10-L75 PolarHBondContact N-O 2.94Å; V10-L75 PolarHBondContact O-N 2.82Å; K59-L75 WeakPolarHBondContact O-CA 2.91Å; A60-L75 HydrophobicContact CB-CD2 3.87Å; M73-L75 HydrophobicContact CE-CD1 3.79Å; M73-L75 HydrophobicContact CE-CD2 4.19Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CD2 4.31Å; M73-L75 HydrophobicContact CG-CG 4.24Å; M73-L75 HydrophobicContact SD-CD2 3.97Å; M73-L75 HydrophobicContact SD-CG 4.22Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CB-CG 4.5Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.17Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.5Å
76	S	97.4	Very high	96.9	Very high	30 Å²	30	47.9 Å²	47.9	21%	0.21	26%	0.26	C	S	.	.			trans	-107.4	156.8	-179.5	65	0	0	0	0	112.3	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.41Å; K59-S76 WeakPolarHBondContact CG-O 3.36Å; K59-S76 PolarHBondContact O-N 2.97Å; K59-S76 PolarHBondContact O-OG 3.11Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.18Å
77	R	96.4	Very high	97.1	Very high	161 Å²	161	44.1 Å²	44.1	61%	0.608	24%	0.244	S	C	*	.	S	Bend	trans	53.3	50.7	171.8	-58	176	-71.9	179.6	-0.9	111.9	A8 D58	A8-R77 PolarHBondContact O-N 2.96Å; D58-R77 PolarHBondContact O-NH2 2.8Å
78	L	96.9	Very high	97.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.211	C	C	.	.			trans	-63.4	139.1	-173.7	-70.3	172.6	0	0	0	112	V4 P6 G7 A8 V10 L75 S76 D82 V109 V111	V4-L78 HydrophobicContact CG2-CD1 3.57Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.27Å; G7-L78 PolarHBondContact N-O 3.03Å; A8-L78 WeakPolarHBondContact O-CB 3.34Å; A8-L78 WeakPolarHBondContact O-CG 3.43Å; A8-L78 PolarHBondContact O-N 3.05Å; V10-L78 HydrophobicContact CB-CD1 4.03Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CB-CG 4.5Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.18Å; L78-D82 VanDerWaalsContact CA-OD2 3.32Å; L78-D82 WeakPolarHBondContact CA-OD2 3.43Å; L78-D82 HydrophobicContact CD2-CB 3.61Å; L78-V109 HydrophobicContact CD1-CG1 4.46Å; L78-V111 HydrophobicContact CB-CG1 4.21Å; L78-V111 HydrophobicContact CB-CG2 3.95Å; L78-V111 HydrophobicContact CD1-CG2 4.4Å
79	T	96.3	Very high	97.3	Very high	58 Å²	58	37.8 Å²	37.8	36%	0.356	20%	0.199	S	C	.	.			trans	-118.8	168.7	174.3	66.1	0	0	0	0	109.7	E81 D82 V111	T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 2.91Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 2.77Å; T79-D82 PolarHBondContact OG1-OD2 2.95Å; T79-V111 WeakPolarHBondContact O-CB 2.98Å; T79-V111 WeakPolarHBondContact O-CG2 3.45Å
80	S	95	Very high	97.2	Very high	87 Å²	87	37.4 Å²	37.4	61%	0.608	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-53.7	-32.6	176.1	51.7	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.97Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.48Å; S80-S83 PolarHBondContact O-N 3.06Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.86Å
81	E	93.6	Very high	97.1	Very high	126 Å²	126	38.8 Å²	38.8	59%	0.589	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-67	-11.9	176.2	-59.7	-172.8	169.7	0	0	114.4	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.87Å; R32-E81 PolarHBondContact NE-O 3.13Å; R32-E81 PolarHBondContact NH2-O 3.02Å; T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 VanDerWaalsContact C-N 3.33Å
82	D	95.9	Very high	96.7	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-85.7	-7.2	172.8	-58.7	-50.4	0	0	0	113.5	K30 K59 L78 T79 S80 A84 Y86 V111	K30-D82 IonicContact NZ-OD1 3.03Å; K59-D82 WeakPolarHBondContact CE-OD1 3.46Å; K59-D82 WeakPolarHBondContact CE-OD2 3.43Å; K59-D82 IonicContact NZ-OD1 3.54Å; K59-D82 PolarHBondContact NZ-OD1 2.88Å; K59-D82 IonicContact NZ-OD2 2.74Å; K59-D82 PolarHBondContact NZ-OD2 3.4Å; L78-D82 VanDerWaalsContact CA-OD2 3.32Å; L78-D82 WeakPolarHBondContact CA-OD2 3.43Å; L78-D82 HydrophobicContact CD2-CB 3.61Å; T79-D82 PolarHBondContact N-OD2 2.91Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 2.77Å; T79-D82 PolarHBondContact OG1-OD2 2.95Å; S80-D82 PolarHBondContact O-N 2.97Å; D82-A84 PolarHBondContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.04Å; D82-Y86 PolarHBondContact O-OH 3.46Å; D82-V111 HydrophobicContact CB-CG2 4.19Å
83	S	97.3	Very high	96.2	Very high	41 Å²	41	45.1 Å²	45.1	29%	0.287	23%	0.229	S	C	.	.			trans	-62.4	113	174.4	-55.8	0	0	0	0	110.1	S80 E81 V109 V111	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.48Å; S80-S83 PolarHBondContact O-N 3.06Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.86Å; E81-S83 VanDerWaalsContact C-N 3.33Å; S83-V109 CarbonylContact C-O 3.6Å; S83-V109 VanDerWaalsContact CA-O 3.27Å; S83-V109 WeakPolarHBondContact CA-O 3.18Å; S83-V111 PolarHBondContact OG-N 3.1Å
84	A	97.8	Very high	95.6	Very high	8 Å²	8	50.2 Å²	50.2	7%	0.066	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	169.4	-170.4	0	0	0	0	0	111.1	K30 Q31 R32 D82 Y86 V109	K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-A84 VanDerWaalsContact CG-CB 3.5Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.24Å; R32-A84 HydrophobicContact CG-CB 4.23Å; D82-A84 PolarHBondContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-V109 PolarHBondContact N-O 2.85Å; A84-V109 PolarHBondContact O-N 3.25Å
85	V	98.3	Very high	95.1	Very high	41 Å²	41	49.3 Å²	49.3	25%	0.248	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.5	161.7	-169.7	0	0	0	0	108.4	Q31 F87	Q31-V85 PolarHBondContact N-O 2.79Å; Q31-V85 PolarHBondContact O-N 2.83Å; V85-F87 HydrophobicContact CB-CE2 3.72Å; V85-F87 HydrophobicContact CB-CZ 3.84Å; V85-F87 HydrophobicContact CG1-CD1 4.45Å; V85-F87 HydrophobicContact CG1-CD2 4.25Å; V85-F87 HydrophobicContact CG1-CE1 3.78Å; V85-F87 HydrophobicContact CG1-CE2 3.55Å; V85-F87 HydrophobicContact CG1-CZ 3.28Å
86	Y	98.4	Very high	94.6	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.7	179.2	-70.7	-90.2	0	0	0	109.8	L12 V29 K30 I40 M73 L75 D82 A84 G106 T107 V109	L12-Y86 HydrophobicContact CD1-CD1 4.41Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.76Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 WeakPolarHBondContact CE-OH 3.14Å; K30-Y86 HydrophobicContact CG-CD1 4.21Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.77Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.23Å; L75-Y86 HydrophobicContact CD1-CD1 4.17Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.5Å; D82-Y86 WeakPolarHBondContact O-CE2 3.04Å; D82-Y86 PolarHBondContact O-OH 3.46Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G106 CarbonylContact O-C 3.49Å; Y86-G106 VanDerWaalsContact O-CA 3.25Å; Y86-G106 WeakPolarHBondContact O-CA 3.16Å; Y86-T107 PolarHBondContact N-O 3.17Å; Y86-T107 PolarHBondContact O-N 3Å; Y86-V109 HydrophobicContact CD2-CB 3.99Å; Y86-V109 HydrophobicContact CD2-CG2 3.69Å; Y86-V109 HydrophobicContact CE2-CB 3.83Å; Y86-V109 HydrophobicContact CE2-CG2 3.94Å
87	F	98.3	Very high	94	Very high	33 Å²	33	64.4 Å²	64.4	15%	0.145	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.8	-178.1	-57.1	-88	0	0	0	110.2	W28 V29 Q31 V85 W103 G104	W28-F87 WeakPolarHBondContact CA-O 3.36Å; V29-F87 PolarHBondContact N-O 2.91Å; V29-F87 PolarHBondContact O-N 3.47Å; Q31-F87 HydrophobicContact CB-CD2 4.46Å; Q31-F87 HydrophobicContact CB-CE2 3.83Å; V85-F87 HydrophobicContact CB-CE2 3.72Å; V85-F87 HydrophobicContact CB-CZ 3.84Å; V85-F87 HydrophobicContact CG1-CD1 4.45Å; V85-F87 HydrophobicContact CG1-CD2 4.25Å; V85-F87 HydrophobicContact CG1-CE1 3.78Å; V85-F87 HydrophobicContact CG1-CE2 3.55Å; V85-F87 HydrophobicContact CG1-CZ 3.28Å; F87-W103 HydrophobicContact CB-CE3 3.94Å; F87-W103 HydrophobicContact CB-CZ3 4.07Å; F87-W103 HydrophobicContact CG-CE3 4.43Å; F87-G104 WeakPolarHBondContact CD1-O 3.24Å
88	C	97.6	Very high	93.6	Very high	11 Å²	11	59 Å²	59	7%	0.074	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	149	158.1	58.9	0	0	0	0	109.5	C14 I26 H27 W28 G104	C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.36Å; C14-C88 WeakPolarHBondContact SG-CB 3.34Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.99Å; I26-C88 HydrophobicContact CG2-CB 4.13Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.34Å; W28-C88 HydrophobicContact CH2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.33Å; C88-G104 PolarHBondContact O-N 2.98Å
89	A	97.7	Very high	93.3	Very high	2 Å²	2	64 Å²	64	2%	0.017	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.3	175.8	0	0	0	0	0	110.6	I26 H27 F100 V102 W103	I26-A89 CarbonylContact C-O 3.57Å; I26-A89 WeakPolarHBondContact CA-O 3.32Å; H27-A89 PolarHBondContact N-O 3.36Å; H27-A89 PolarHBondContact O-N 2.83Å; A89-F100 HydrophobicContact CB-CB 4.1Å; A89-F100 HydrophobicContact CB-CD1 4.29Å; A89-F100 HydrophobicContact CB-CD2 4.26Å; A89-F100 HydrophobicContact CB-CG 3.97Å; A89-V102 CarbonylContact C-O 3.53Å; A89-V102 VanDerWaalsContact CA-O 3.27Å; A89-V102 WeakPolarHBondContact CA-O 3.39Å; A89-W103 HydrophobicContact CB-CD2 3.77Å; A89-W103 HydrophobicContact CB-CE3 3.81Å; A89-W103 HydrophobicContact CB-CG 4.35Å; A89-W103 HydrophobicContact CB-CH2 4.2Å; A89-W103 HydrophobicContact CB-CZ2 4.2Å; A89-W103 HydrophobicContact CB-CZ3 4.01Å
90	R	96.5	Very high	93.3	Very high	30 Å²	30	64.7 Å²	64.7	11%	0.113	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	137.3	170.9	-174.7	178.8	77.5	153.2	8.1	109.4	Y24 I26 E92 F100 D101 V102	Y24-R90 HydrophobicContact CD1-CG 4.07Å; Y24-R90 HydrophobicContact CG-CG 4.01Å; I26-R90 HydrophobicContact CD1-CB 4.29Å; I26-R90 HydrophobicContact CD1-CG 4.26Å; R90-E92 IonicContact CZ-OE2 3.52Å; R90-E92 IonicContact NE-OE2 3.68Å; R90-E92 IonicContact NH1-OE2 3.54Å; R90-E92 PolarHBondContact NH1-OE2 3.12Å; R90-E92 IonicContact NH2-OE2 2.56Å; R90-E92 PolarHBondContact NH2-OE2 2.8Å; R90-F100 VanDerWaalsContact O-CA 3.3Å; R90-F100 WeakPolarHBondContact O-CA 3.34Å; R90-D101 IonicContact CZ-OD1 3.8Å; R90-D101 IonicContact CZ-OD2 3.4Å; R90-D101 IonicContact NE-OD1 3.48Å; R90-D101 PolarHBondContact NE-OD1 2.82Å; R90-D101 IonicContact NE-OD2 3.47Å; R90-D101 IonicContact NH2-OD1 2.79Å; R90-D101 IonicContact NH2-OD2 3.96Å; R90-D101 PolarHBondContact NH2-OD2 3.33Å; R90-V102 HydrophobicContact CB-CB 3.94Å; R90-V102 PolarHBondContact N-O 2.63Å
91	H	94.7	Very high	93.1	Very high	38 Å²	38	63.4 Å²	63.4	18%	0.176	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.1	168.3	-178.9	-108.8	0	0	0	110.2	Y24 T25 H27 E93 F100	Y24-H91 WeakPolarHBondContact CD1-O 3.39Å; T25-H91 PolarHBondContact O-N 2.85Å; H27-H91 AromaticContact NE2-CG 3.96Å; H91-E93 VanDerWaalsContact CE1-CG 3.46Å; H91-E93 WeakPolarHBondContact CE1-CG 3.42Å; H91-E93 IonicContact CE1-OE1 3.44Å; H91-E93 PolarHBondContact CE1-OE1 3.32Å; H91-E93 IonicContact ND1-OE1 2.6Å; H91-F100 HydrophobicContact CB-CD1 4.2Å; H91-F100 HydrophobicContact CB-CE1 4.1Å; H91-F100 AromaticContact CD2-CE1 4Å
92	E	90.3	Very high	93.2	Very high	41 Å²	41	60.5 Å²	60.5	19%	0.192	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.4	172.9	-169.9	83.4	-142	0	0	108.6	Y24 R90 G98 Y99 D101	Y24-E92 WeakPolarHBondContact CE1-OE1 3.02Å; Y24-E92 WeakPolarHBondContact CE1-OE2 3.46Å; Y24-E92 VanDerWaalsContact CZ-OE2 3.32Å; Y24-E92 PolarHBondContact OH-OE1 3.01Å; Y24-E92 VanDerWaalsContact OH-OE1 3.12Å; Y24-E92 PolarHBondContact OH-OE2 3.01Å; R90-E92 IonicContact CZ-OE2 3.52Å; R90-E92 IonicContact NE-OE2 3.68Å; R90-E92 IonicContact NH1-OE2 3.54Å; R90-E92 PolarHBondContact NH1-OE2 3.12Å; R90-E92 IonicContact NH2-OE2 2.56Å; R90-E92 PolarHBondContact NH2-OE2 2.8Å; E92-G98 WeakPolarHBondContact O-CA 3.27Å; E92-Y99 HydrophobicContact CB-CE2 4.15Å; E92-Y99 HydrophobicContact CG-CE2 4.5Å; E92-Y99 PolarHBondContact N-O 2.61Å; E92-Y99 VanDerWaalsContact N-O 3.08Å; E92-Y99 PolarHBondContact O-N 3.45Å; E92-Y99 VanDerWaalsContact O-N 3.11Å; E92-D101 WeakPolarHBondContact CB-OD2 3.43Å
93	E	88.2	Confident	93.2	Very high	146 Å²	146	65.1 Å²	65.1	68%	0.682	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.9	173.3	-66.8	-178.7	177.2	0	0	109.1	H91 Y97	H91-E93 VanDerWaalsContact CE1-CG 3.46Å; H91-E93 WeakPolarHBondContact CE1-CG 3.42Å; H91-E93 IonicContact CE1-OE1 3.44Å; H91-E93 PolarHBondContact CE1-OE1 3.32Å; H91-E93 IonicContact ND1-OE1 2.6Å; E93-Y97 WeakPolarHBondContact CA-O 3.33Å
94	D	85.2	Confident	93.1	Very high	107 Å²	107	64.5 Å²	64.5	57%	0.572	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	102.3	170.5	-174.8	12.7	0	0	0	109.3	N96 Y97 Y99	D94-N96 PolarHBondContact O-N 3.33Å; D94-N96 VanDerWaalsContact O-N 3.13Å; D94-Y97 PolarHBondContact N-O 3.48Å; D94-Y97 PolarHBondContact O-N 3.08Å; D94-Y99 HydrophobicContact CB-CE1 4.08Å
95	G	86.8	Confident	93	Very high	69 Å²	69	71 Å²	71	71%	0.711	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-112.1	-173.4	0	0	0	0	0	112.3
96	N	87.6	Confident	92.9	Very high	167 Å²	167	70 Å²	70	89%	0.893	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	4.7	178.6	-68.6	-40.7	0	0	0	113.2	D94	D94-N96 PolarHBondContact O-N 3.33Å; D94-N96 VanDerWaalsContact O-N 3.13Å
97	Y	85.5	Confident	92.9	Very high	179 Å²	179	72 Å²	72	70%	0.702	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.9	-176.2	-60.9	-76.9	0	0	0	110.8	E93 D94	E93-Y97 WeakPolarHBondContact CA-O 3.33Å; D94-Y97 PolarHBondContact N-O 3.48Å; D94-Y97 PolarHBondContact O-N 3.08Å
98	G	87.7	Confident	92.8	Very high	49 Å²	49	73.4 Å²	73.4	51%	0.505	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.9	170.6	0	0	0	0	0	110.8	E92	E92-G98 WeakPolarHBondContact O-CA 3.27Å
99	Y	91.6	Very high	92.9	Very high	106 Å²	106	72.9 Å²	72.9	42%	0.416	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	165.1	179.1	52.3	-94.9	0	0	0	112.8	E92 D94 D101	E92-Y99 HydrophobicContact CB-CE2 4.15Å; E92-Y99 HydrophobicContact CG-CE2 4.5Å; E92-Y99 PolarHBondContact N-O 2.61Å; E92-Y99 VanDerWaalsContact N-O 3.08Å; E92-Y99 PolarHBondContact O-N 3.45Å; E92-Y99 VanDerWaalsContact O-N 3.11Å; D94-Y99 HydrophobicContact CB-CE1 4.08Å; Y99-D101 HydrophobicContact CD2-CB 3.85Å; Y99-D101 HydrophobicContact CE2-CB 3.76Å
100	F	94.8	Very high	92.9	Very high	71 Å²	71	75.5 Å²	75.5	31%	0.311	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	105.1	174	-61.3	-30.7	0	0	0	110.5	H27 A89 R90 H91 W103	H27-F100 HydrophobicContact CB-CE1 4.07Å; H27-F100 HydrophobicContact CB-CZ 4.01Å; H27-F100 AromaticContact CD2-CE1 3.59Å; H27-F100 AromaticContact CE1-CE1 3.75Å; H27-F100 AromaticContact CE1-CZ 3.88Å; H27-F100 AromaticContact CG-CE1 3.49Å; H27-F100 VanDerWaalsContact CG-CE1 3.49Å; H27-F100 AromaticContact CG-CZ 3.61Å; H27-F100 AromaticContact ND1-CE1 3.59Å; H27-F100 AromaticContact ND1-CZ 3.4Å; H27-F100 WeakPolarHBondContact ND1-CZ 3.35Å; H27-F100 AromaticContact NE2-CE1 3.79Å; A89-F100 HydrophobicContact CB-CB 4.1Å; A89-F100 HydrophobicContact CB-CD1 4.29Å; A89-F100 HydrophobicContact CB-CD2 4.26Å; A89-F100 HydrophobicContact CB-CG 3.97Å; R90-F100 VanDerWaalsContact O-CA 3.3Å; R90-F100 WeakPolarHBondContact O-CA 3.34Å; H91-F100 HydrophobicContact CB-CD1 4.2Å; H91-F100 HydrophobicContact CB-CE1 4.1Å; H91-F100 AromaticContact CD2-CE1 4Å; F100-W103 HydrophobicContact CB-CZ2 3.74Å; F100-W103 AromaticContact CD2-CH2 3.91Å; F100-W103 HydrophobicContact CD2-CH2 3.91Å; F100-W103 AromaticContact CD2-CZ2 3.52Å; F100-W103 HydrophobicContact CD2-CZ2 3.52Å; F100-W103 HydrophobicContact CG-CZ2 4.06Å; F100-W103 PolarHBondContact O-NE1 2.93Å
101	D	92.3	Very high	92.9	Very high	60 Å²	60	74.4 Å²	74.4	32%	0.321	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-31	-173.9	60.2	-7.4	0	0	0	114.4	R90 E92 Y99	R90-D101 IonicContact CZ-OD1 3.8Å; R90-D101 IonicContact CZ-OD2 3.4Å; R90-D101 IonicContact NE-OD1 3.48Å; R90-D101 PolarHBondContact NE-OD1 2.82Å; R90-D101 IonicContact NE-OD2 3.47Å; R90-D101 IonicContact NH2-OD1 2.79Å; R90-D101 IonicContact NH2-OD2 3.96Å; R90-D101 PolarHBondContact NH2-OD2 3.33Å; E92-D101 WeakPolarHBondContact CB-OD2 3.43Å; Y99-D101 HydrophobicContact CD2-CB 3.85Å; Y99-D101 HydrophobicContact CE2-CB 3.76Å
102	V	94.3	Very high	92.8	Very high	65 Å²	65	75 Å²	75	39%	0.394	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.8	176.9	-176.7	0	0	0	0	109.7	A89 R90	A89-V102 CarbonylContact C-O 3.53Å; A89-V102 VanDerWaalsContact CA-O 3.27Å; A89-V102 WeakPolarHBondContact CA-O 3.39Å; R90-V102 HydrophobicContact CB-CB 3.94Å; R90-V102 PolarHBondContact N-O 2.63Å
103	W	96.6	Very high	92.6	Very high	102 Å²	102	80.5 Å²	80.5	39%	0.386	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.3	176.8	-70.1	76.9	0	0	0	110.8	V29 L37 F87 A89 F100	V29-W103 HydrophobicContact CB-CZ3 4.16Å; V29-W103 HydrophobicContact CG1-CZ3 4.4Å; V29-W103 HydrophobicContact CG2-CH2 4.15Å; V29-W103 HydrophobicContact CG2-CZ3 4.05Å; L37-W103 HydrophobicContact CD1-CH2 3.87Å; L37-W103 HydrophobicContact CD1-CZ3 4.44Å; F87-W103 HydrophobicContact CB-CE3 3.94Å; F87-W103 HydrophobicContact CB-CZ3 4.07Å; F87-W103 HydrophobicContact CG-CE3 4.43Å; A89-W103 HydrophobicContact CB-CD2 3.77Å; A89-W103 HydrophobicContact CB-CE3 3.81Å; A89-W103 HydrophobicContact CB-CG 4.35Å; A89-W103 HydrophobicContact CB-CH2 4.2Å; A89-W103 HydrophobicContact CB-CZ2 4.2Å; A89-W103 HydrophobicContact CB-CZ3 4.01Å; F100-W103 HydrophobicContact CB-CZ2 3.74Å; F100-W103 AromaticContact CD2-CH2 3.91Å; F100-W103 HydrophobicContact CD2-CH2 3.91Å; F100-W103 AromaticContact CD2-CZ2 3.52Å; F100-W103 HydrophobicContact CD2-CZ2 3.52Å; F100-W103 HydrophobicContact CG-CZ2 4.06Å; F100-W103 PolarHBondContact O-NE1 2.93Å
104	G	95.8	Very high	92.8	Very high	27 Å²	27	77.3 Å²	77.3	28%	0.278	45%	0.454	S	S	.	.			trans	-67.6	157.5	164.6	0	0	0	0	0	110.9	F87 C88 G106	F87-G104 WeakPolarHBondContact CD1-O 3.24Å; C88-G104 PolarHBondContact O-N 2.98Å; G104-G106 PolarHBondContact O-N 3.4Å; G104-G106 VanDerWaalsContact O-N 3.08Å
105	T	94.9	Very high	93.2	Very high	145 Å²	145	75.7 Å²	75.7	89%	0.89	45%	0.448	S	S	*	.			trans	-64.7	-14	179.2	55.8	0	0	0	0	113.9
106	G	96.4	Very high	93.6	Very high	20 Å²	20	76.1 Å²	76.1	21%	0.206	43%	0.433	C	S	.	.			trans	85.7	149.6	-177.1	0	0	0	0	0	113.1	Y86 G104	Y86-G106 CarbonylContact O-C 3.49Å; Y86-G106 VanDerWaalsContact O-CA 3.25Å; Y86-G106 WeakPolarHBondContact O-CA 3.16Å; G104-G106 PolarHBondContact O-N 3.4Å; G104-G106 VanDerWaalsContact O-N 3.08Å
107	T	97.6	Very high	94	Very high	45 Å²	45	70.7 Å²	70.7	28%	0.276	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.2	174.5	-62.9	0	0	0	0	109.2	E2 L12 Y86 V109	E2-T107 HydrophobicContact CG-CG2 4.47Å; L12-T107 HydrophobicContact CD2-CG2 4.05Å; Y86-T107 PolarHBondContact N-O 3.17Å; Y86-T107 PolarHBondContact O-N 3Å; T107-V109 PolarHBondContact O-N 3.48Å
108	T	97.9	Very high	94.5	Very high	61 Å²	61	63.9 Å²	63.9	37%	0.374	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.3	172.4	-50.2	0	0	0	0	110	A1 E2	A1-T108 CarbonylContact C-O 3.57Å; A1-T108 WeakPolarHBondContact CA-O 3.37Å; E2-T108 PolarHBondContact N-O 3.29Å
109	V	97.8	Very high	94.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.6	166.7	178.9	0	0	0	0	107.3	E2 V4 V10 L12 L78 S83 A84 Y86 T107 V111	E2-V109 HydrophobicContact CB-CG2 4.32Å; E2-V109 CarbonylContact O-C 3.59Å; E2-V109 WeakPolarHBondContact O-CA 3.33Å; V4-V109 HydrophobicContact CG2-CG1 4.16Å; V10-V109 HydrophobicContact CG1-CG1 4.32Å; V10-V109 HydrophobicContact CG1-CG2 4.32Å; L12-V109 HydrophobicContact CD1-CG2 4.1Å; L12-V109 HydrophobicContact CD2-CG2 3.92Å; L78-V109 HydrophobicContact CD1-CG1 4.46Å; S83-V109 CarbonylContact C-O 3.6Å; S83-V109 VanDerWaalsContact CA-O 3.27Å; S83-V109 WeakPolarHBondContact CA-O 3.18Å; A84-V109 PolarHBondContact N-O 2.85Å; A84-V109 PolarHBondContact O-N 3.25Å; Y86-V109 HydrophobicContact CD2-CB 3.99Å; Y86-V109 HydrophobicContact CD2-CG2 3.69Å; Y86-V109 HydrophobicContact CE2-CB 3.83Å; Y86-V109 HydrophobicContact CE2-CG2 3.94Å; T107-V109 PolarHBondContact O-N 3.48Å; V109-V111 HydrophobicContact CG1-CG2 4.35Å
110	T	97.7	Very high	95.2	Very high	57 Å²	57	62 Å²	62	35%	0.35	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125	176.5	-56.3	0	0	0	0	108.9	E2 L3 V4	E2-T110 PolarHBondContact O-N 2.78Å; L3-T110 HydrophobicContact CD1-CG2 3.81Å; V4-T110 PolarHBondContact N-O 2.73Å
111	V	96.8	Very high	95.2	Very high	7 Å²	7	61.3 Å²	61.3	4%	0.042	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	106.1	179.1	-168.9	0	0	0	0	108.9	V4 P6 L78 T79 D82 S83 V109	V4-V111 HydrophobicContact CG2-CB 4.38Å; V4-V111 HydrophobicContact CG2-CG1 4.44Å; V4-V111 HydrophobicContact CG2-CG2 3.83Å; V4-V111 VanDerWaalsContact O-CA 3.31Å; V4-V111 WeakPolarHBondContact O-CA 3.29Å; P6-V111 HydrophobicContact CB-CG1 4.39Å; P6-V111 HydrophobicContact CG-CG1 4.16Å; L78-V111 HydrophobicContact CB-CG1 4.21Å; L78-V111 HydrophobicContact CB-CG2 3.95Å; L78-V111 HydrophobicContact CD1-CG2 4.4Å; T79-V111 WeakPolarHBondContact O-CB 2.98Å; T79-V111 WeakPolarHBondContact O-CG2 3.45Å; D82-V111 HydrophobicContact CB-CG2 4.19Å; S83-V111 PolarHBondContact OG-N 3.1Å; V109-V111 HydrophobicContact CG1-CG2 4.35Å
112	S	94.2	Very high	95.4	Very high	52 Å²	52	61.4 Å²	61.4	36%	0.364	39%	0.388	S	S	.	.			trans	-143.5	150.2	-178.9	65.3	0	0	0	0	111.9	L3 V4	L3-S112 WeakPolarHBondContact CD1-OG 3.27Å; V4-S112 PolarHBondContact O-N 3.17Å
113	S	85.4	Confident	95.6	Very high	156 Å²	156	61.1 Å²	61.1	100%	1.091	39%	0.387	S	S	*	.			trans	-75.6	0	176	57.2	0	0	0	0	112.8

Retrieved 113 of 113 residues in 41.4 ms (Link to these results)

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