X5J5N6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5N6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 114 aa.

						>X5J5N6_MOUSE|X5J5N6
SGAELVMPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGEIDPSDSYTNYNQKFKGKATLTVDKSSSTAYMQLSSLTSEDSAVYYCASIYDGYYDAMDYWGQGTSVTVSS
					

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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	S	57.4	Low	86.6	Confident	101 Å²	101	74.5 Å²	74.5	71%	0.706	50%	0.501	S	S	*	.				0	147.8	0	-57.3	0	0	0	0	109.2
2	G	68.9	Low	87.4	Confident	55 Å²	55	69.4 Å²	69.4	57%	0.567	47%	0.466	S	S	*	.			trans	-88.2	-172.6	-179.1	0	0	0	0	0	112.4	T108	G2-T108 WeakPolarHBondContact O-CG2 3.32Å
3	A	80.8	Confident	88.1	Confident	83 Å²	83	72.8 Å²	72.8	69%	0.686	47%	0.468	S	S	*	.			trans	-69.6	135.1	176	0	0	0	0	0	111.6	S109	A3-S109 CarbonylContact C-O 3.57Å; A3-S109 WeakPolarHBondContact CA-O 3.48Å
4	E	87.5	Confident	88.8	Confident	60 Å²	60	67.9 Å²	67.9	28%	0.28	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.3	177.5	-68.6	-178.4	150.9	0	0	110.2	V12 L14 S109 V110 T111	E4-V12 HydrophobicContact CB-CG2 4.48Å; E4-V12 WeakPolarHBondContact OE2-CG2 3.33Å; E4-L14 WeakPolarHBondContact OE2-CD2 3.37Å; E4-S109 PolarHBondContact N-O 3.23Å; E4-V110 HydrophobicContact CB-CG2 4.49Å; E4-V110 CarbonylContact O-C 3.54Å; E4-V110 WeakPolarHBondContact O-CA 3.48Å; E4-T111 PolarHBondContact O-N 2.63Å
5	L	91.6	Very high	89.3	Confident	135 Å²	135	66.7 Å²	66.7	71%	0.707	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.3	171.6	-179.1	67	0	0	0	108.8	T111	L5-T111 WeakPolarHBondContact CA-O 3.12Å; L5-T111 HydrophobicContact CD1-CG2 3.98Å
6	V	93.1	Very high	89.7	Confident	22 Å²	22	63.4 Å²	63.4	13%	0.133	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.7	-174.4	-62.1	0	0	0	0	111.6	A10 V12 L80 V110 T111 V112 S113	V6-A10 HydrophobicContact CB-CB 4.48Å; V6-V12 HydrophobicContact CG1-CB 4.43Å; V6-V12 HydrophobicContact CG1-CG2 4.16Å; V6-L80 HydrophobicContact CB-CD1 4.46Å; V6-L80 HydrophobicContact CG2-CD1 3.64Å; V6-V110 HydrophobicContact CG2-CG1 4.11Å; V6-T111 PolarHBondContact N-O 3.48Å; V6-V112 HydrophobicContact CG2-CB 4.29Å; V6-V112 HydrophobicContact CG2-CG1 4.43Å; V6-V112 HydrophobicContact CG2-CG2 3.78Å; V6-V112 WeakPolarHBondContact O-CA 3.46Å; V6-S113 PolarHBondContact O-N 2.63Å; V6-S113 PolarHBondContact O-OG 2.96Å
7	M	92.9	Very high	90.1	Very high	144 Å²	144	68.6 Å²	68.6	71%	0.709	42%	0.424	S	S	*	.			trans	-82.6	154.2	175.2	-65.6	-178.5	-176.9	0	0	111.3	A10	M7-A10 WeakPolarHBondContact O-CB 3.35Å; M7-A10 PolarHBondContact O-N 3.01Å; M7-A10 VanDerWaalsContact O-N 3.15Å
8	P	94.8	Very high	90.2	Very high	71 Å²	71	65.3 Å²	65.3	46%	0.461	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	140.9	169.8	-27.3	36.1	0	0	0	112.3	A10 L80 V112 S113	P8-A10 PolarHBondContact O-N 3.28Å; P8-L80 WeakPolarHBondContact CA-O 3.29Å; P8-V112 HydrophobicContact CG-CG1 4.17Å; P8-S113 WeakPolarHBondContact CD-O 3.38Å; P8-S113 WeakPolarHBondContact CG-O 3.41Å
9	G	93.9	Very high	90.2	Very high	53 Å²	53	67 Å²	67	55%	0.546	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-11.9	-177.9	0	0	0	0	0	114.6	L80	G9-L80 PolarHBondContact N-O 2.91Å
10	A	95.4	Very high	90	Very high	35 Å²	35	68.1 Å²	68.1	29%	0.289	44%	0.444	S	S	.	.			trans	-67.6	165.9	174.9	0	0	0	0	0	111.7	V6 M7 P8 S79 L80	V6-A10 HydrophobicContact CB-CB 4.48Å; M7-A10 WeakPolarHBondContact O-CB 3.35Å; M7-A10 PolarHBondContact O-N 3.01Å; M7-A10 VanDerWaalsContact O-N 3.15Å; P8-A10 PolarHBondContact O-N 3.28Å; A10-S79 PolarHBondContact O-N 3.01Å; A10-L80 WeakPolarHBondContact O-CB 3.48Å; A10-L80 WeakPolarHBondContact O-CG 3.47Å; A10-L80 PolarHBondContact O-N 2.81Å
11	S	96	Very high	89.9	Confident	61 Å²	61	67 Å²	67	43%	0.427	43%	0.432	S	S	.	.			trans	-115	151	170.4	-55.6	0	0	0	0	109.8	L77 S78	S11-L77 CarbonylContact C-O 3.51Å; S11-L77 WeakPolarHBondContact CA-O 3.15Å; S11-L77 WeakPolarHBondContact CB-O 3.46Å; S11-S78 WeakPolarHBondContact OG-CA 3.16Å
12	V	96.1	Very high	91.6	Very high	13 Å²	13	66.5 Å²	66.5	8%	0.079	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.5	177.4	83.2	0	0	0	0	110.8	E4 V6 L14 Q76 L77 L80 V110	E4-V12 HydrophobicContact CB-CG2 4.48Å; E4-V12 WeakPolarHBondContact OE2-CG2 3.33Å; V6-V12 HydrophobicContact CG1-CB 4.43Å; V6-V12 HydrophobicContact CG1-CG2 4.16Å; V12-L14 HydrophobicContact CG1-CD2 4.42Å; V12-Q76 CarbonylContact O-C 3.6Å; V12-Q76 VanDerWaalsContact O-CA 3.29Å; V12-Q76 WeakPolarHBondContact O-CA 3.25Å; V12-L77 HydrophobicContact CG1-CB 4.25Å; V12-L77 HydrophobicContact CG1-CD1 4.33Å; V12-L77 PolarHBondContact N-O 3.29Å; V12-L77 PolarHBondContact O-N 2.81Å; V12-L80 HydrophobicContact CB-CD1 3.97Å; V12-L80 HydrophobicContact CG1-CD1 3.83Å; V12-V110 HydrophobicContact CG1-CG1 4.37Å; V12-V110 HydrophobicContact CG1-CG2 4.38Å
13	K	96.9	Very high	92.7	Very high	114 Å²	114	64.1 Å²	64.1	50%	0.496	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	107.2	-178.8	-174.3	178.1	-178.1	178.9	0	110	Y74 M75	K13-Y74 HydrophobicContact CD-CD1 4.4Å; K13-Y74 VanDerWaalsContact CE-CD1 3.46Å; K13-Y74 VanDerWaalsContact CE-CG 3.48Å; K13-Y74 HydrophobicContact CG-CD1 4.38Å; K13-M75 WeakPolarHBondContact CA-O 3.33Å
14	L	97.2	Very high	93.4	Very high	3 Å²	3	63 Å²	63	2%	0.016	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	148.3	175.5	-54.7	-172.8	0	0	0	110.3	E4 V12 W30 Y74 M75 Y88 T108 V110	E4-L14 WeakPolarHBondContact OE2-CD2 3.37Å; V12-L14 HydrophobicContact CG1-CD2 4.42Å; L14-W30 HydrophobicContact CB-CH2 3.89Å; L14-W30 HydrophobicContact CB-CZ3 3.78Å; L14-W30 HydrophobicContact CD1-CZ3 4.32Å; L14-Y74 CarbonylContact O-C 3.5Å; L14-Y74 WeakPolarHBondContact O-CA 3.44Å; L14-Y74 WeakPolarHBondContact O-CB 3.43Å; L14-M75 HydrophobicContact CD1-CE 3.68Å; L14-M75 HydrophobicContact CG-CE 4.43Å; L14-M75 PolarHBondContact N-O 2.02Å; L14-M75 PolarHBondContact O-N 3.15Å; L14-Y88 HydrophobicContact CD1-CD1 4.41Å; L14-Y88 HydrophobicContact CD1-CD2 4.21Å; L14-Y88 HydrophobicContact CD1-CG 3.77Å; L14-T108 HydrophobicContact CD2-CG2 3.78Å; L14-V110 HydrophobicContact CD1-CG2 4.34Å; L14-V110 HydrophobicContact CD2-CG2 4.06Å
15	S	96.8	Very high	93.6	Very high	51 Å²	51	62.1 Å²	62.1	36%	0.357	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.3	177.7	64.1	0	0	0	0	111.2	A73 Y74	S15-A73 CarbonylContact C-O 3.57Å; S15-A73 WeakPolarHBondContact CA-O 3.46Å; S15-Y74 VanDerWaalsContact CB-CD1 3.49Å; S15-Y74 VanDerWaalsContact CB-CE1 3.45Å
16	C	96	Very high	93.6	Very high	14 Å²	14	57.3 Å²	57.3	10%	0.095	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	109.2	175.2	-177.4	0	0	0	0	109.1	W30 T72 A73 C90	C16-W30 HydrophobicContact CB-CH2 3.87Å; C16-W30 HydrophobicContact CB-CZ2 3.96Å; C16-T72 CarbonylContact O-C 3.57Å; C16-T72 WeakPolarHBondContact O-CA 3.44Å; C16-A73 PolarHBondContact N-O 3.03Å; C16-A73 PolarHBondContact O-N 3.09Å; C16-C90 HydrophobicContact CB-CB 3.39Å; C16-C90 WeakPolarHBondContact CB-SG 3.47Å; C16-C90 WeakPolarHBondContact SG-CB 3.39Å; C16-C90 CovalentContact SG-SG 2.02Å; C16-C90 PolarHBondContact SG-SG 2.79Å
17	K	95.6	Very high	93.7	Very high	151 Å²	151	58.7 Å²	58.7	66%	0.657	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.8	179.3	-174.5	174.1	-177.6	177.6	0	109.6	S70 T72	K17-S70 WeakPolarHBondContact CE-O 3.49Å; K17-T72 HydrophobicContact CB-CG2 4.45Å
18	A	92.7	Very high	93.8	Very high	10 Å²	10	52 Å²	52	8%	0.083	33%	0.326	C	S	.	.			trans	-70.9	145.2	174	0	0	0	0	0	111	Y21 F23 S71	A18-Y21 HydrophobicContact CB-CE1 4.14Å; A18-Y21 HydrophobicContact CB-CE2 3.72Å; A18-Y21 VanDerWaalsContact CB-CZ 3.48Å; A18-Y21 WeakPolarHBondContact CB-OH 3.24Å; A18-F23 HydrophobicContact CB-CB 4.02Å; A18-F23 HydrophobicContact CB-CD2 3.43Å; A18-F23 VanDerWaalsContact CB-CD2 3.43Å; A18-F23 HydrophobicContact CB-CE2 4.2Å; A18-F23 HydrophobicContact CB-CG 4.02Å; A18-S71 PolarHBondContact N-O 3.01Å
19	S	89.4	Confident	93.9	Very high	97 Å²	97	49.1 Å²	49.1	68%	0.678	31%	0.306	S	S	*	.			trans	-150.6	136.1	176.6	62.1	0	0	0	0	110.2	Y21	S19-Y21 WeakPolarHBondContact O-CD1 3.4Å
20	G	87.8	Confident	94.1	Very high	89 Å²	89	46.8 Å²	46.8	92%	0.918	28%	0.281	S	S	*	.	S	Bend	trans	87.9	3.3	176.8	0	0	0	0	0	115.3
21	Y	86.9	Confident	94.2	Very high	46 Å²	46	45.4 Å²	45.4	18%	0.18	27%	0.269	C	S	.	.	S	Bend	trans	-150.6	164.3	175.8	59.1	-89.1	0	0	0	111.8	A18 S19 F23 Y26 S92 Y103	A18-Y21 HydrophobicContact CB-CE1 4.14Å; A18-Y21 HydrophobicContact CB-CE2 3.72Å; A18-Y21 VanDerWaalsContact CB-CZ 3.48Å; A18-Y21 WeakPolarHBondContact CB-OH 3.24Å; S19-Y21 WeakPolarHBondContact O-CD1 3.4Å; Y21-F23 PolarHBondContact O-N 3.25Å; Y21-F23 VanDerWaalsContact O-N 3.17Å; Y21-Y26 HydrophobicContact CD2-CD1 4.31Å; Y21-Y26 AromaticContact CD2-CD2 3.39Å; Y21-Y26 HydrophobicContact CD2-CD2 3.39Å; Y21-Y26 AromaticContact CD2-CE2 3.71Å; Y21-Y26 HydrophobicContact CD2-CE2 3.71Å; Y21-Y26 AromaticContact CD2-CG 3.73Å; Y21-Y26 HydrophobicContact CD2-CG 3.73Å; Y21-Y26 HydrophobicContact CE2-CD1 4.37Å; Y21-Y26 AromaticContact CE2-CD2 3.99Å; Y21-Y26 HydrophobicContact CE2-CD2 3.99Å; Y21-Y26 AromaticContact CE2-CG 3.86Å; Y21-Y26 HydrophobicContact CE2-CG 3.86Å; Y21-Y26 HydrophobicContact CG-CD2 4.18Å; Y21-Y26 HydrophobicContact CG-CE2 4.03Å; Y21-S92 PolarHBondContact OH-OG 3.02Å; Y21-Y103 HydrophobicContact CD1-CD2 4.25Å; Y21-Y103 HydrophobicContact CD1-CE2 4.26Å; Y21-Y103 HydrophobicContact CE1-CD2 4.2Å; Y21-Y103 HydrophobicContact CE1-CG 4.24Å
22	T	92.3	Very high	94.2	Very high	89 Å²	89	42.5 Å²	42.5	55%	0.546	25%	0.249	S	C	.	.			trans	-71.9	104.5	174.4	-56.1	0	0	0	0	109.5	T24 S25 Y26	T22-T24 PolarHBondContact O-N 2.71Å; T22-T24 VanDerWaalsContact O-N 3.13Å; T22-S25 WeakPolarHBondContact CG2-OG 3.18Å; T22-S25 PolarHBondContact O-N 3.44Å; T22-Y26 WeakPolarHBondContact O-CD2 3.24Å
23	F	93.5	Very high	94.3	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.026	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-52.8	-37.5	-174.2	178.5	-126.5	0	0	0	114.1	A18 Y21 S25 Y26 M28 P47 V66 A73	A18-F23 HydrophobicContact CB-CB 4.02Å; A18-F23 HydrophobicContact CB-CD2 3.43Å; A18-F23 VanDerWaalsContact CB-CD2 3.43Å; A18-F23 HydrophobicContact CB-CE2 4.2Å; A18-F23 HydrophobicContact CB-CG 4.02Å; Y21-F23 PolarHBondContact O-N 3.25Å; Y21-F23 VanDerWaalsContact O-N 3.17Å; F23-S25 PolarHBondContact O-N 2.98Å; F23-Y26 PolarHBondContact O-N 2.8Å; F23-M28 HydrophobicContact CE2-CE 3.97Å; F23-P47 HydrophobicContact CD1-CB 3.79Å; F23-P47 HydrophobicContact CD1-CG 4.34Å; F23-P47 HydrophobicContact CD2-CB 4.4Å; F23-P47 HydrophobicContact CD2-CG 4.08Å; F23-P47 HydrophobicContact CE1-CB 3.51Å; F23-P47 HydrophobicContact CE1-CG 3.99Å; F23-P47 HydrophobicContact CE2-CB 4.15Å; F23-P47 HydrophobicContact CE2-CG 3.68Å; F23-P47 HydrophobicContact CG-CB 4.26Å; F23-P47 HydrophobicContact CG-CG 4.41Å; F23-P47 HydrophobicContact CZ-CB 3.7Å; F23-P47 HydrophobicContact CZ-CG 3.64Å; F23-P47 WeakPolarHBondContact O-CG 3.45Å; F23-V66 HydrophobicContact CE1-CB 4.29Å; F23-V66 HydrophobicContact CE1-CG1 4.32Å; F23-V66 HydrophobicContact CZ-CB 4.37Å; F23-V66 HydrophobicContact CZ-CG1 3.95Å; F23-A73 HydrophobicContact CE2-CB 4.32Å; F23-A73 HydrophobicContact CZ-CB 4.03Å
24	T	94.6	Very high	94.2	Very high	60 Å²	60	42.4 Å²	42.4	37%	0.368	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-79.7	2.1	-179.1	57.2	0	0	0	0	114.7	T22 S48 K68	T22-T24 PolarHBondContact O-N 2.71Å; T22-T24 VanDerWaalsContact O-N 3.13Å; T24-S48 WeakPolarHBondContact O-CB 3Å; T24-K68 HydrophobicContact CG2-CD 4.41Å
25	S	92.3	Very high	93.8	Very high	41 Å²	41	47.9 Å²	47.9	29%	0.287	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-104.1	7.1	175.4	-56.1	0	0	0	0	112.5	T22 F23 Y94 D95	T22-S25 WeakPolarHBondContact CG2-OG 3.18Å; T22-S25 PolarHBondContact O-N 3.44Å; F23-S25 PolarHBondContact O-N 2.98Å; S25-Y94 WeakPolarHBondContact O-CD2 3.39Å; S25-D95 WeakPolarHBondContact O-CB 3.43Å; S25-D95 PolarHBondContact O-N 2.94Å; S25-D95 VanDerWaalsContact O-N 3.09Å
26	Y	92.4	Very high	93.6	Very high	33 Å²	33	50 Å²	50	13%	0.129	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136	-174.6	-75.7	-106.6	0	0	0	110.3	Y21 T22 F23 P47 I93 Y94 Y103	Y21-Y26 HydrophobicContact CD2-CD1 4.31Å; Y21-Y26 AromaticContact CD2-CD2 3.39Å; Y21-Y26 HydrophobicContact CD2-CD2 3.39Å; Y21-Y26 AromaticContact CD2-CE2 3.71Å; Y21-Y26 HydrophobicContact CD2-CE2 3.71Å; Y21-Y26 AromaticContact CD2-CG 3.73Å; Y21-Y26 HydrophobicContact CD2-CG 3.73Å; Y21-Y26 HydrophobicContact CE2-CD1 4.37Å; Y21-Y26 AromaticContact CE2-CD2 3.99Å; Y21-Y26 HydrophobicContact CE2-CD2 3.99Å; Y21-Y26 AromaticContact CE2-CG 3.86Å; Y21-Y26 HydrophobicContact CE2-CG 3.86Å; Y21-Y26 HydrophobicContact CG-CD2 4.18Å; Y21-Y26 HydrophobicContact CG-CE2 4.03Å; T22-Y26 WeakPolarHBondContact O-CD2 3.24Å; F23-Y26 PolarHBondContact O-N 2.8Å; Y26-P47 WeakPolarHBondContact O-CD 3.31Å; Y26-P47 WeakPolarHBondContact O-CG 3.02Å; Y26-I93 CarbonylContact C-O 3.53Å; Y26-I93 WeakPolarHBondContact CA-O 3.34Å; Y26-I93 WeakPolarHBondContact CB-O 3.44Å; Y26-I93 WeakPolarHBondContact CD1-O 3.48Å; Y26-Y94 VanDerWaalsContact CD1-CA 3.48Å; Y26-Y94 HydrophobicContact CD2-CD2 4.04Å; Y26-Y94 HydrophobicContact CE1-CD2 4.17Å; Y26-Y94 HydrophobicContact CE1-CG 4.36Å; Y26-Y94 AromaticContact CE2-CD2 3.53Å; Y26-Y94 HydrophobicContact CE2-CD2 3.53Å; Y26-Y94 HydrophobicContact CE2-CE2 4.28Å; Y26-Y94 HydrophobicContact CE2-CG 4.47Å; Y26-Y94 AromaticContact CZ-CD2 3.59Å; Y26-Y103 HydrophobicContact CE1-CD2 4.07Å; Y26-Y103 AromaticContact CE1-CE2 3.73Å; Y26-Y103 HydrophobicContact CE1-CE2 3.73Å
27	W	94.1	Very high	93.4	Very high	51 Å²	51	53.9 Å²	53.9	19%	0.193	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139	166.7	-72.5	69.7	0	0	0	109.5	E44 D46 Y51 S92 I93 D95	W27-E44 HydrophobicContact CE3-CB 4.18Å; W27-E44 HydrophobicContact CE3-CG 3.62Å; W27-E44 HydrophobicContact CZ3-CG 3.77Å; W27-D46 HydrophobicContact CD2-CB 4.05Å; W27-D46 HydrophobicContact CE3-CB 4.15Å; W27-D46 HydrophobicContact CH2-CB 4.13Å; W27-D46 HydrophobicContact CZ2-CB 4Å; W27-D46 HydrophobicContact CZ3-CB 4.19Å; W27-Y51 AromaticContact CH2-CD1 3.5Å; W27-Y51 HydrophobicContact CH2-CD1 3.5Å; W27-Y51 VanDerWaalsContact CH2-CD1 3.5Å; W27-Y51 AromaticContact CH2-CE1 3.92Å; W27-Y51 HydrophobicContact CH2-CE1 3.92Å; W27-Y51 AromaticContact CZ3-CD1 3.77Å; W27-Y51 HydrophobicContact CZ3-CD1 3.77Å; W27-Y51 HydrophobicContact CZ3-CE1 4.17Å; W27-S92 WeakPolarHBondContact O-CA 3.33Å; W27-S92 WeakPolarHBondContact O-CB 3.45Å; W27-I93 PolarHBondContact N-O 2.83Å; W27-I93 PolarHBondContact O-N 3.26Å; W27-I93 VanDerWaalsContact O-N 3.08Å; W27-D95 PolarHBondContact NE1-OD1 2.66Å
28	M	95.9	Very high	93.3	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.4	174.4	-175.2	63.6	63.1	0	0	110.1	F23 E44 I45 A73 C90 A91	F23-M28 HydrophobicContact CE2-CE 3.97Å; M28-E44 CarbonylContact O-C 3.43Å; M28-E44 WeakPolarHBondContact O-CA 3.47Å; M28-I45 HydrophobicContact CB-CG2 3.99Å; M28-I45 PolarHBondContact N-O 3.48Å; M28-I45 PolarHBondContact O-N 3.11Å; M28-A73 HydrophobicContact CB-CB 4.13Å; M28-A73 HydrophobicContact CG-CB 3.55Å; M28-C90 HydrophobicContact SD-CB 3.76Å; M28-A91 VanDerWaalsContact SD-O 3.32Å
29	H	96.3	Very high	93.4	Very high	11 Å²	11	53.5 Å²	53.5	5%	0.051	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	149.3	179.2	-50.5	-102.1	0	0	0	110.7	W41 G43 E44 C90 A91 I93 M101	H29-W41 AromaticContact ND1-NE1 3.53Å; H29-G43 WeakPolarHBondContact CA-O 3.34Å; H29-E44 HydrophobicContact CB-CB 4.46Å; H29-E44 IonicContact CE1-OE2 3.02Å; H29-E44 PolarHBondContact CE1-OE2 3.47Å; H29-E44 WeakPolarHBondContact ND1-CB 3.25Å; H29-E44 IonicContact ND1-OE2 3.55Å; H29-E44 PolarHBondContact ND1-OE2 3.1Å; H29-C90 CarbonylContact O-C 3.49Å; H29-C90 VanDerWaalsContact O-CA 3.25Å; H29-C90 WeakPolarHBondContact O-CA 3.12Å; H29-A91 PolarHBondContact N-O 2.77Å; H29-A91 PolarHBondContact O-N 3.16Å; H29-I93 VanDerWaalsContact NE2-CD1 3.27Å; H29-I93 WeakPolarHBondContact NE2-CD1 3.39Å; H29-I93 WeakPolarHBondContact NE2-CG1 3.4Å; H29-M101 HydrophobicContact CB-CE 3.46Å; H29-M101 VanDerWaalsContact CB-CE 3.46Å
30	W	97.8	Very high	93.7	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.019	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.7	174.6	-70.4	89.1	0	0	0	110.3	L14 C16 I42 G43 L64 A73 M75 Y89 C90	L14-W30 HydrophobicContact CB-CH2 3.89Å; L14-W30 HydrophobicContact CB-CZ3 3.78Å; L14-W30 HydrophobicContact CD1-CZ3 4.32Å; C16-W30 HydrophobicContact CB-CH2 3.87Å; C16-W30 HydrophobicContact CB-CZ2 3.96Å; W30-I42 HydrophobicContact CB-CB 4.16Å; W30-I42 HydrophobicContact CB-CD1 4.3Å; W30-I42 WeakPolarHBondContact O-CB 3.37Å; W30-I42 PolarHBondContact O-N 2.8Å; W30-G43 PolarHBondContact N-O 2.81Å; W30-L64 VanDerWaalsContact CD1-CD2 3.49Å; W30-L64 HydrophobicContact CG-CD2 4.04Å; W30-A73 HydrophobicContact CZ2-CB 4.43Å; W30-M75 HydrophobicContact CB-SD 3.9Å; W30-M75 HydrophobicContact CD2-CB 3.61Å; W30-M75 HydrophobicContact CD2-CE 4.29Å; W30-M75 HydrophobicContact CD2-CG 4.45Å; W30-M75 HydrophobicContact CD2-SD 4.15Å; W30-M75 HydrophobicContact CE3-CB 3.9Å; W30-M75 HydrophobicContact CE3-CE 3.75Å; W30-M75 HydrophobicContact CE3-SD 4.22Å; W30-M75 HydrophobicContact CG-CB 4.08Å; W30-M75 HydrophobicContact CG-SD 4.04Å; W30-M75 HydrophobicContact CH2-CB 4.14Å; W30-M75 HydrophobicContact CZ2-CB 3.89Å; W30-M75 HydrophobicContact CZ3-CB 4.15Å; W30-M75 HydrophobicContact CZ3-CE 4.29Å; W30-Y89 WeakPolarHBondContact CA-O 3.47Å; W30-C90 HydrophobicContact CD2-CB 4.42Å; W30-C90 HydrophobicContact CE3-CB 4.24Å; W30-C90 HydrophobicContact CH2-CB 4.31Å; W30-C90 HydrophobicContact CZ2-CB 4.45Å; W30-C90 HydrophobicContact CZ3-CB 4.19Å
31	V	97.4	Very high	94.2	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136	-172.5	-175.6	0	0	0	0	109.5	L39 E40 Y88 Y89 W104	V31-L39 HydrophobicContact CG1-CB 3.73Å; V31-L39 HydrophobicContact CG1-CD2 3.94Å; V31-L39 HydrophobicContact CG1-CG 4.27Å; V31-E40 CarbonylContact C-O 3.45Å; V31-E40 WeakPolarHBondContact CA-O 3.44Å; V31-Y88 CarbonylContact O-C 3.54Å; V31-Y88 WeakPolarHBondContact O-CA 3.44Å; V31-Y89 PolarHBondContact N-O 2.8Å; V31-Y89 PolarHBondContact O-N 3.26Å; V31-W104 HydrophobicContact CB-CH2 4.4Å; V31-W104 HydrophobicContact CB-CZ3 4.18Å; V31-W104 HydrophobicContact CG1-CH2 4.39Å; V31-W104 HydrophobicContact CG1-CZ3 4.38Å; V31-W104 HydrophobicContact CG2-CH2 3.97Å; V31-W104 HydrophobicContact CG2-CZ3 4.12Å
32	K	97	Very high	94.7	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.5	174.5	-176.1	179.4	-178.1	179.4	0	109.7	E40 I42 F58 E83 D84 A86 Y88	K32-E40 HydrophobicContact CB-CB 4.41Å; K32-E40 PolarHBondContact N-O 2.85Å; K32-E40 PolarHBondContact O-N 2.92Å; K32-I42 HydrophobicContact CB-CD1 4.02Å; K32-I42 HydrophobicContact CB-CG1 4.17Å; K32-F58 HydrophobicContact CB-CZ 4.46Å; K32-F58 HydrophobicContact CD-CE1 3.98Å; K32-F58 HydrophobicContact CD-CZ 3.98Å; K32-E83 PolarHBondContact NZ-O 2.86Å; K32-D84 IonicContact NZ-OD1 2.82Å; K32-D84 PolarHBondContact NZ-OD1 3.01Å; K32-A86 HydrophobicContact CD-CB 4.18Å; K32-A86 HydrophobicContact CG-CB 3.55Å; K32-Y88 HydrophobicContact CB-CD1 4.14Å; K32-Y88 HydrophobicContact CB-CE1 3.9Å; K32-Y88 HydrophobicContact CD-CE1 3.97Å; K32-Y88 WeakPolarHBondContact CE-OH 3.32Å; K32-Y88 HydrophobicContact CG-CD1 4.28Å; K32-Y88 HydrophobicContact CG-CE1 3.74Å
33	Q	97	Very high	94.9	Very high	67 Å²	67	43.3 Å²	43.3	31%	0.313	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	114.3	170.6	-168	-179.6	34.9	0	0	110.3	L39 A86 V87 Y89	Q33-L39 HydrophobicContact CB-CD2 3.85Å; Q33-L39 HydrophobicContact CG-CD2 3.93Å; Q33-A86 WeakPolarHBondContact O-CA 3.42Å; Q33-A86 WeakPolarHBondContact O-CB 3.07Å; Q33-V87 PolarHBondContact N-O 3.32Å; Q33-V87 PolarHBondContact O-N 3.48Å; Q33-Y89 HydrophobicContact CB-CD2 4.36Å; Q33-Y89 HydrophobicContact CB-CE2 3.8Å; Q33-Y89 PolarHBondContact OE1-OH 3.01Å
34	R	94.6	Very high	95.1	Very high	58 Å²	58	44.5 Å²	44.5	22%	0.219	26%	0.261	C	S	.	.			trans	-83.7	150.6	169.9	-60.8	-164.3	-172.1	91.2	-0.4	110.5	G36 Q37 E40 E83 A86	R34-G36 PolarHBondContact O-N 2.89Å; R34-Q37 HydrophobicContact CB-CB 4.02Å; R34-Q37 HydrophobicContact CB-CG 4.02Å; R34-Q37 PolarHBondContact O-N 2.97Å; R34-E40 IonicContact CZ-OE1 2.71Å; R34-E40 IonicContact NH1-OE1 2.68Å; R34-E40 PolarHBondContact NH1-OE1 2.83Å; R34-E40 IonicContact NH2-OE1 3.39Å; R34-E83 PolarHBondContact NE-O 2.85Å; R34-E83 PolarHBondContact NH2-O 2.83Å; R34-A86 HydrophobicContact CG-CB 4.3Å
35	P	90.4	Very high	95.2	Very high	118 Å²	118	41.7 Å²	41.7	77%	0.766	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	126.1	173	-25.6	34.6	0	0	0	111.5	Q37	P35-Q37 PolarHBondContact O-N 2.92Å
36	G	91.6	Very high	95.4	Very high	94 Å²	94	40.2 Å²	40.2	97%	0.969	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	6.3	-180	0	0	0	0	0	115.6	R34	R34-G36 PolarHBondContact O-N 2.89Å
37	Q	92.8	Very high	95.6	Very high	97 Å²	97	38.7 Å²	38.7	45%	0.453	23%	0.226	S	C	.	.	S	Bend	trans	-113.3	161.4	175.7	-58.9	-173	0.7	0	0	111.6	R34 P35	R34-Q37 HydrophobicContact CB-CB 4.02Å; R34-Q37 HydrophobicContact CB-CG 4.02Å; R34-Q37 PolarHBondContact O-N 2.97Å; P35-Q37 PolarHBondContact O-N 2.92Å
38	G	92.8	Very high	95.6	Very high	56 Å²	56	38.8 Å²	38.8	58%	0.577	24%	0.235	S	C	*	.			trans	-68.2	174.4	172.7	0	0	0	0	0	113
39	L	95	Very high	95.6	Very high	96 Å²	96	43.4 Å²	43.4	50%	0.503	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.1	173.8	-63.9	177.9	0	0	0	110.3	V31 Q33 W104	V31-L39 HydrophobicContact CG1-CB 3.73Å; V31-L39 HydrophobicContact CG1-CD2 3.94Å; V31-L39 HydrophobicContact CG1-CG 4.27Å; Q33-L39 HydrophobicContact CB-CD2 3.85Å; Q33-L39 HydrophobicContact CG-CD2 3.93Å; L39-W104 HydrophobicContact CD1-CH2 3.85Å; L39-W104 HydrophobicContact CD1-CZ3 4.37Å
40	E	96.4	Very high	95.6	Very high	33 Å²	33	45.8 Å²	45.8	15%	0.154	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.2	173.6	-68.2	-167.2	-93.2	0	0	109.9	V31 K32 R34 I42 K57	V31-E40 CarbonylContact C-O 3.45Å; V31-E40 WeakPolarHBondContact CA-O 3.44Å; K32-E40 HydrophobicContact CB-CB 4.41Å; K32-E40 PolarHBondContact N-O 2.85Å; K32-E40 PolarHBondContact O-N 2.92Å; R34-E40 IonicContact CZ-OE1 2.71Å; R34-E40 IonicContact NH1-OE1 2.68Å; R34-E40 PolarHBondContact NH1-OE1 2.83Å; R34-E40 IonicContact NH2-OE1 3.39Å; E40-I42 PolarHBondContact O-N 2.82Å; E40-K57 IonicContact OE2-NZ 3.97Å; E40-K57 PolarHBondContact OE2-NZ 2.93Å
41	W	96.6	Very high	95.6	Very high	74 Å²	74	51.7 Å²	51.7	28%	0.28	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.4	175	-178.4	78.3	0	0	0	111	H29 G43 E44 N55	H29-W41 AromaticContact ND1-NE1 3.53Å; W41-G43 PolarHBondContact NE1-O 3.48Å; W41-E44 HydrophobicContact CZ2-CB 3.91Å; W41-E44 HydrophobicContact CZ2-CG 3.77Å; W41-N55 HydrophobicContact CE3-CB 3.77Å; W41-N55 HydrophobicContact CZ3-CB 3.95Å; W41-N55 VanDerWaalsContact CZ3-N 3.3Å; W41-N55 VanDerWaalsContact O-CB 3.24Å; W41-N55 WeakPolarHBondContact O-CB 3.38Å; W41-N55 PolarHBondContact O-ND2 3.19Å
42	I	97.9	Very high	95.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-48.4	-177.5	-60.3	176	0	0	0	110.4	W30 K32 E40 N55 F58 A62 M75 Y88	W30-I42 HydrophobicContact CB-CB 4.16Å; W30-I42 HydrophobicContact CB-CD1 4.3Å; W30-I42 WeakPolarHBondContact O-CB 3.37Å; W30-I42 PolarHBondContact O-N 2.8Å; K32-I42 HydrophobicContact CB-CD1 4.02Å; K32-I42 HydrophobicContact CB-CG1 4.17Å; E40-I42 PolarHBondContact O-N 2.82Å; I42-N55 WeakPolarHBondContact O-CB 3.45Å; I42-N55 PolarHBondContact O-N 2.94Å; I42-F58 HydrophobicContact CB-CD2 4.26Å; I42-F58 HydrophobicContact CB-CG 4.23Å; I42-F58 HydrophobicContact CG1-CD1 4.21Å; I42-F58 HydrophobicContact CG1-CD2 4.23Å; I42-F58 HydrophobicContact CG1-CE1 4.13Å; I42-F58 HydrophobicContact CG1-CE2 4.14Å; I42-F58 HydrophobicContact CG1-CG 4.25Å; I42-F58 HydrophobicContact CG1-CZ 4.09Å; I42-F58 HydrophobicContact CG2-CB 3.71Å; I42-F58 HydrophobicContact CG2-CD1 4.08Å; I42-F58 HydrophobicContact CG2-CD2 4.28Å; I42-F58 HydrophobicContact CG2-CG 3.77Å; I42-A62 HydrophobicContact CG2-CB 3.73Å; I42-M75 HydrophobicContact CD1-CE 3.91Å; I42-M75 HydrophobicContact CD1-SD 3.61Å; I42-M75 HydrophobicContact CG2-SD 3.92Å; I42-Y88 HydrophobicContact CD1-CD1 3.71Å; I42-Y88 HydrophobicContact CD1-CE1 3.77Å
43	G	97.4	Very high	95.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	177.7	-171.5	0	0	0	0	0	111.5	H29 W30 W41 N53	H29-G43 WeakPolarHBondContact CA-O 3.34Å; W30-G43 PolarHBondContact N-O 2.81Å; W41-G43 PolarHBondContact NE1-O 3.48Å; G43-N53 CarbonylContact C-O 3.45Å; G43-N53 WeakPolarHBondContact CA-O 3.47Å
44	E	96.6	Very high	95.6	Very high	31 Å²	31	55.9 Å²	55.9	15%	0.145	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.7	179.2	67.4	-159.9	168.6	0	0	110.9	W27 M28 H29 W41 T52 N53 L64	W27-E44 HydrophobicContact CE3-CB 4.18Å; W27-E44 HydrophobicContact CE3-CG 3.62Å; W27-E44 HydrophobicContact CZ3-CG 3.77Å; M28-E44 CarbonylContact O-C 3.43Å; M28-E44 WeakPolarHBondContact O-CA 3.47Å; H29-E44 HydrophobicContact CB-CB 4.46Å; H29-E44 IonicContact CE1-OE2 3.02Å; H29-E44 PolarHBondContact CE1-OE2 3.47Å; H29-E44 WeakPolarHBondContact ND1-CB 3.25Å; H29-E44 IonicContact ND1-OE2 3.55Å; H29-E44 PolarHBondContact ND1-OE2 3.1Å; W41-E44 HydrophobicContact CZ2-CB 3.91Å; W41-E44 HydrophobicContact CZ2-CG 3.77Å; E44-T52 WeakPolarHBondContact O-CA 3.43Å; E44-N53 HydrophobicContact CG-CB 3.9Å; E44-N53 PolarHBondContact N-O 2.93Å; E44-N53 PolarHBondContact O-N 2.8Å; E44-N53 WeakPolarHBondContact OE1-CB 3.35Å; E44-N53 PolarHBondContact OE1-ND2 2.91Å; E44-L64 WeakPolarHBondContact O-CD1 3.07Å
45	I	97.6	Very high	95.7	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.2	174	-175.3	158.4	0	0	0	109	M28 P47 Y51 T52 L64 V66	M28-I45 HydrophobicContact CB-CG2 3.99Å; M28-I45 PolarHBondContact N-O 3.48Å; M28-I45 PolarHBondContact O-N 3.11Å; I45-P47 VanDerWaalsContact O-CD 3.3Å; I45-P47 WeakPolarHBondContact O-CD 3.43Å; I45-Y51 CarbonylContact C-O 3.59Å; I45-Y51 VanDerWaalsContact CA-O 3.28Å; I45-Y51 WeakPolarHBondContact CA-O 3.25Å; I45-T52 HydrophobicContact CB-CG2 3.92Å; I45-T52 HydrophobicContact CD1-CG2 3.61Å; I45-T52 HydrophobicContact CG1-CG2 3.71Å; I45-L64 HydrophobicContact CB-CB 4.11Å; I45-L64 HydrophobicContact CB-CD1 4.38Å; I45-L64 HydrophobicContact CD1-CB 4.17Å; I45-L64 HydrophobicContact CG2-CB 4.35Å; I45-V66 HydrophobicContact CD1-CB 4.48Å; I45-V66 HydrophobicContact CD1-CG1 3.78Å; I45-V66 HydrophobicContact CD1-CG2 4.24Å; I45-V66 HydrophobicContact CG1-CG1 3.93Å; I45-V66 HydrophobicContact CG2-CG1 3.85Å
46	D	96.3	Very high	96	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.053	32%	0.321	C	S	.	.			trans	-81.2	114.9	166.7	-177.4	-2	0	0	0	108.6	W27 S48 S50 Y51	W27-D46 HydrophobicContact CD2-CB 4.05Å; W27-D46 HydrophobicContact CE3-CB 4.15Å; W27-D46 HydrophobicContact CH2-CB 4.13Å; W27-D46 HydrophobicContact CZ2-CB 4Å; W27-D46 HydrophobicContact CZ3-CB 4.19Å; D46-S48 PolarHBondContact O-N 2.86Å; D46-S48 WeakPolarHBondContact OD1-CA 3.34Å; D46-S48 WeakPolarHBondContact OD1-CB 3.27Å; D46-S48 PolarHBondContact OD1-N 3.49Å; D46-S48 PolarHBondContact OD1-OG 2.92Å; D46-S48 PolarHBondContact OD2-OG 2.68Å; D46-S50 WeakPolarHBondContact O-CA 3.15Å; D46-S50 PolarHBondContact O-N 3.39Å; D46-Y51 PolarHBondContact N-O 2.7Å
47	P	96.1	Very high	96.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.1	175.9	-16.9	33.1	0	0	0	113.9	F23 Y26 I45 V66 K68	F23-P47 HydrophobicContact CD1-CB 3.79Å; F23-P47 HydrophobicContact CD1-CG 4.34Å; F23-P47 HydrophobicContact CD2-CB 4.4Å; F23-P47 HydrophobicContact CD2-CG 4.08Å; F23-P47 HydrophobicContact CE1-CB 3.51Å; F23-P47 HydrophobicContact CE1-CG 3.99Å; F23-P47 HydrophobicContact CE2-CB 4.15Å; F23-P47 HydrophobicContact CE2-CG 3.68Å; F23-P47 HydrophobicContact CG-CB 4.26Å; F23-P47 HydrophobicContact CG-CG 4.41Å; F23-P47 HydrophobicContact CZ-CB 3.7Å; F23-P47 HydrophobicContact CZ-CG 3.64Å; F23-P47 WeakPolarHBondContact O-CG 3.45Å; Y26-P47 WeakPolarHBondContact O-CD 3.31Å; Y26-P47 WeakPolarHBondContact O-CG 3.02Å; I45-P47 VanDerWaalsContact O-CD 3.3Å; I45-P47 WeakPolarHBondContact O-CD 3.43Å; P47-V66 HydrophobicContact CB-CG1 4.09Å; P47-V66 HydrophobicContact CG-CG1 4.25Å; P47-K68 WeakPolarHBondContact O-CD 3.45Å; P47-K68 WeakPolarHBondContact O-CE 3.35Å; P47-K68 PolarHBondContact O-NZ 3.22Å
48	S	95.1	Very high	96.2	Very high	53 Å²	53	55.1 Å²	55.1	37%	0.371	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-44.4	-179.7	93.2	0	0	0	0	112	T24 D46 K68	T24-S48 WeakPolarHBondContact O-CB 3Å; D46-S48 PolarHBondContact O-N 2.86Å; D46-S48 WeakPolarHBondContact OD1-CA 3.34Å; D46-S48 WeakPolarHBondContact OD1-CB 3.27Å; D46-S48 PolarHBondContact OD1-N 3.49Å; D46-S48 PolarHBondContact OD1-OG 2.92Å; D46-S48 PolarHBondContact OD2-OG 2.68Å; S48-K68 PolarHBondContact O-NZ 3.34Å
49	D	95.6	Very high	96.3	Very high	101 Å²	101	58.9 Å²	58.9	54%	0.54	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-1.4	-175.1	69.4	1.3	0	0	0	113.8	Y51	D49-Y51 WeakPolarHBondContact OD1-CB 3.37Å; D49-Y51 PolarHBondContact OD1-N 2.89Å
50	S	95.9	Very high	96.2	Very high	60 Å²	60	57.8 Å²	57.8	42%	0.42	30%	0.298	S	S	.	.			trans	67.3	18.5	-175.6	-36.5	0	0	0	0	114.3	D46 T52	D46-S50 WeakPolarHBondContact O-CA 3.15Å; D46-S50 PolarHBondContact O-N 3.39Å; S50-T52 PolarHBondContact O-N 3.26Å
51	Y	97	Very high	96.1	Very high	129 Å²	129	58.1 Å²	58.1	51%	0.506	30%	0.3	S	S	.	.			trans	-60.1	137.7	171.1	178.3	-94.3	0	0	0	109.9	W27 I45 D46 D49 N53	W27-Y51 AromaticContact CH2-CD1 3.5Å; W27-Y51 HydrophobicContact CH2-CD1 3.5Å; W27-Y51 VanDerWaalsContact CH2-CD1 3.5Å; W27-Y51 AromaticContact CH2-CE1 3.92Å; W27-Y51 HydrophobicContact CH2-CE1 3.92Å; W27-Y51 AromaticContact CZ3-CD1 3.77Å; W27-Y51 HydrophobicContact CZ3-CD1 3.77Å; W27-Y51 HydrophobicContact CZ3-CE1 4.17Å; I45-Y51 CarbonylContact C-O 3.59Å; I45-Y51 VanDerWaalsContact CA-O 3.28Å; I45-Y51 WeakPolarHBondContact CA-O 3.25Å; D46-Y51 PolarHBondContact N-O 2.7Å; D49-Y51 WeakPolarHBondContact OD1-CB 3.37Å; D49-Y51 PolarHBondContact OD1-N 2.89Å; Y51-N53 HydrophobicContact CE1-CB 4.09Å
52	T	97.6	Very high	96.2	Very high	47 Å²	47	54.8 Å²	54.8	29%	0.288	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.7	-179.2	52.4	0	0	0	0	111.3	E44 I45 S50 Y54 L64	E44-T52 WeakPolarHBondContact O-CA 3.43Å; I45-T52 HydrophobicContact CB-CG2 3.92Å; I45-T52 HydrophobicContact CD1-CG2 3.61Å; I45-T52 HydrophobicContact CG1-CG2 3.71Å; S50-T52 PolarHBondContact O-N 3.26Å; T52-Y54 HydrophobicContact CG2-CE2 4.47Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.42Å; T52-L64 HydrophobicContact CG2-CB 4.05Å
53	N	96.9	Very high	96.2	Very high	65 Å²	65	57.9 Å²	57.9	35%	0.348	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.8	172.4	-179.9	28.6	0	0	0	109.2	G43 E44 Y51	G43-N53 CarbonylContact C-O 3.45Å; G43-N53 WeakPolarHBondContact CA-O 3.47Å; E44-N53 HydrophobicContact CG-CB 3.9Å; E44-N53 PolarHBondContact N-O 2.93Å; E44-N53 PolarHBondContact O-N 2.8Å; E44-N53 WeakPolarHBondContact OE1-CB 3.35Å; E44-N53 PolarHBondContact OE1-ND2 2.91Å; Y51-N53 HydrophobicContact CE1-CB 4.09Å
54	Y	97.7	Very high	96.3	Very high	49 Å²	49	58.3 Å²	58.3	19%	0.192	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.2	-170.7	-66.6	-91.9	0	0	0	111	T52 A62 L64	T52-Y54 HydrophobicContact CG2-CE2 4.47Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.42Å; Y54-A62 HydrophobicContact CE1-CB 4.3Å; Y54-A62 WeakPolarHBondContact CE1-O 3.17Å; Y54-L64 HydrophobicContact CE1-CD1 4.01Å; Y54-L64 HydrophobicContact CE1-CG 3.69Å; Y54-L64 PolarHBondContact OH-N 2.9Å
55	N	96.9	Very high	96.3	Very high	46 Å²	46	59.7 Å²	59.7	25%	0.246	32%	0.319	C	S	.	.			trans	-67.7	134.1	157.9	-175.7	-27.1	0	0	0	109.1	W41 I42 K57 F58 K59	W41-N55 HydrophobicContact CE3-CB 3.77Å; W41-N55 HydrophobicContact CZ3-CB 3.95Å; W41-N55 VanDerWaalsContact CZ3-N 3.3Å; W41-N55 VanDerWaalsContact O-CB 3.24Å; W41-N55 WeakPolarHBondContact O-CB 3.38Å; W41-N55 PolarHBondContact O-ND2 3.19Å; I42-N55 WeakPolarHBondContact O-CB 3.45Å; I42-N55 PolarHBondContact O-N 2.94Å; N55-K57 PolarHBondContact O-N 3.24Å; N55-K57 VanDerWaalsContact O-N 3.09Å; N55-K57 PolarHBondContact OD1-N 3.09Å; N55-K57 VanDerWaalsContact OD1-N 3.12Å; N55-F58 HydrophobicContact CB-CD2 4.07Å; N55-F58 PolarHBondContact O-N 2.81Å; N55-K59 PolarHBondContact O-N 3.12Å
56	Q	95.7	Very high	96.4	Very high	145 Å²	145	61 Å²	61	68%	0.678	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-54.4	-33.2	-178.2	-67.5	-67.3	-4.4	0	0	113.1	F58 K59	Q56-F58 PolarHBondContact O-N 3.44Å; Q56-K59 PolarHBondContact O-N 3.35Å
57	K	93.9	Very high	96.4	Very high	150 Å²	150	63 Å²	63	65%	0.652	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-60.5	-29.4	177.2	-67.1	-173	-173.6	179.9	0	113.7	E40 N55	E40-K57 IonicContact OE2-NZ 3.97Å; E40-K57 PolarHBondContact OE2-NZ 2.93Å; N55-K57 PolarHBondContact O-N 3.24Å; N55-K57 VanDerWaalsContact O-N 3.09Å; N55-K57 PolarHBondContact OD1-N 3.09Å; N55-K57 VanDerWaalsContact OD1-N 3.12Å
58	F	95.7	Very high	96.3	Very high	10 Å²	10	67.7 Å²	67.7	4%	0.044	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-107.4	-3.4	-174.9	-63.3	-83.8	0	0	0	112.8	K32 I42 N55 Q56 G60 K61 A62	K32-F58 HydrophobicContact CB-CZ 4.46Å; K32-F58 HydrophobicContact CD-CE1 3.98Å; K32-F58 HydrophobicContact CD-CZ 3.98Å; I42-F58 HydrophobicContact CB-CD2 4.26Å; I42-F58 HydrophobicContact CB-CG 4.23Å; I42-F58 HydrophobicContact CG1-CD1 4.21Å; I42-F58 HydrophobicContact CG1-CD2 4.23Å; I42-F58 HydrophobicContact CG1-CE1 4.13Å; I42-F58 HydrophobicContact CG1-CE2 4.14Å; I42-F58 HydrophobicContact CG1-CG 4.25Å; I42-F58 HydrophobicContact CG1-CZ 4.09Å; I42-F58 HydrophobicContact CG2-CB 3.71Å; I42-F58 HydrophobicContact CG2-CD1 4.08Å; I42-F58 HydrophobicContact CG2-CD2 4.28Å; I42-F58 HydrophobicContact CG2-CG 3.77Å; N55-F58 HydrophobicContact CB-CD2 4.07Å; N55-F58 PolarHBondContact O-N 2.81Å; Q56-F58 PolarHBondContact O-N 3.44Å; F58-G60 PolarHBondContact O-N 2.84Å; F58-K61 WeakPolarHBondContact O-CB 2.96Å; F58-K61 PolarHBondContact O-N 2.89Å; F58-A62 HydrophobicContact CB-CB 4.39Å; F58-A62 PolarHBondContact O-N 3.08Å
59	K	93.5	Very high	96.3	Very high	135 Å²	135	70.4 Å²	70.4	59%	0.587	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-62.1	122	176.1	-166	171.6	-175.3	175.1	0	109.4	N55 Q56 K61	N55-K59 PolarHBondContact O-N 3.12Å; Q56-K59 PolarHBondContact O-N 3.35Å; K59-K61 VanDerWaalsContact C-N 3.26Å; K59-K61 PolarHBondContact O-N 2.81Å
60	G	93	Very high	96.3	Very high	73 Å²	73	67.3 Å²	67.3	75%	0.753	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-14.1	-174.5	0	0	0	0	0	114.9	F58	F58-G60 PolarHBondContact O-N 2.84Å
61	K	95.8	Very high	96.4	Very high	41 Å²	41	66.4 Å²	66.4	18%	0.178	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-44.1	172	-172.5	77.4	178	-161.7	0	111.5	F58 K59 L77 S78 S79 D84	F58-K61 WeakPolarHBondContact O-CB 2.96Å; F58-K61 PolarHBondContact O-N 2.89Å; K59-K61 VanDerWaalsContact C-N 3.26Å; K59-K61 PolarHBondContact O-N 2.81Å; K61-L77 WeakPolarHBondContact O-CA 3.45Å; K61-S78 WeakPolarHBondContact CD-O 3.46Å; K61-S78 WeakPolarHBondContact CE-O 3.18Å; K61-S78 PolarHBondContact NZ-O 3.2Å; K61-S78 PolarHBondContact O-N 3.08Å; K61-S79 PolarHBondContact NZ-O 3.21Å; K61-D84 WeakPolarHBondContact CE-OD2 3.28Å; K61-D84 IonicContact NZ-OD2 2.9Å; K61-D84 PolarHBondContact NZ-OD2 3.01Å
62	A	97.8	Very high	96.4	Very high	4 Å²	4	60.7 Å²	60.7	3%	0.033	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.9	179.7	0	0	0	0	0	111.1	I42 Y54 F58 M75 Q76 L77	I42-A62 HydrophobicContact CG2-CB 3.73Å; Y54-A62 HydrophobicContact CE1-CB 4.3Å; Y54-A62 WeakPolarHBondContact CE1-O 3.17Å; F58-A62 HydrophobicContact CB-CB 4.39Å; F58-A62 PolarHBondContact O-N 3.08Å; A62-M75 HydrophobicContact CB-CG 4.3Å; A62-M75 HydrophobicContact CB-SD 4.27Å; A62-Q76 CarbonylContact C-O 3.46Å; A62-Q76 WeakPolarHBondContact CA-O 3.45Å; A62-L77 HydrophobicContact CB-CD2 3.98Å
63	T	98.3	Very high	96.4	Very high	65 Å²	65	58.4 Å²	58.4	40%	0.399	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.5	168.6	-61	0	0	0	0	108.8	T65 M75 Q76	T63-T65 HydrophobicContact CG2-CG2 4.38Å; T63-M75 WeakPolarHBondContact O-CA 2.87Å; T63-Q76 PolarHBondContact N-O 2.8Å; T63-Q76 PolarHBondContact O-N 2.75Å
64	L	98.5	Very high	96.4	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.047	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.7	179.5	-52.6	-176.3	0	0	0	110.4	W30 E44 I45 T52 Y54 Y74 M75	W30-L64 VanDerWaalsContact CD1-CD2 3.49Å; W30-L64 HydrophobicContact CG-CD2 4.04Å; E44-L64 WeakPolarHBondContact O-CD1 3.07Å; I45-L64 HydrophobicContact CB-CB 4.11Å; I45-L64 HydrophobicContact CB-CD1 4.38Å; I45-L64 HydrophobicContact CD1-CB 4.17Å; I45-L64 HydrophobicContact CG2-CB 4.35Å; T52-L64 HydrophobicContact CG2-CB 4.05Å; Y54-L64 HydrophobicContact CE1-CD1 4.01Å; Y54-L64 HydrophobicContact CE1-CG 3.69Å; Y54-L64 PolarHBondContact OH-N 2.9Å; L64-Y74 WeakPolarHBondContact CA-O 3.48Å; L64-M75 HydrophobicContact CD2-CB 3.68Å; L64-M75 HydrophobicContact CD2-CG 3.63Å; L64-M75 HydrophobicContact CD2-SD 4.22Å
65	T	98.3	Very high	96.5	Very high	59 Å²	59	55.5 Å²	55.5	36%	0.362	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	161	176.9	55.9	0	0	0	0	110.5	T63 Y74	T63-T65 HydrophobicContact CG2-CG2 4.38Å; T65-Y74 PolarHBondContact N-O 3.42Å; T65-Y74 PolarHBondContact O-N 2.94Å
66	V	97.9	Very high	96.5	Very high	29 Å²	29	57.2 Å²	57.2	18%	0.176	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.1	176.5	-70.2	0	0	0	0	111	F23 I45 P47 A73	F23-V66 HydrophobicContact CE1-CB 4.29Å; F23-V66 HydrophobicContact CE1-CG1 4.32Å; F23-V66 HydrophobicContact CZ-CB 4.37Å; F23-V66 HydrophobicContact CZ-CG1 3.95Å; I45-V66 HydrophobicContact CD1-CB 4.48Å; I45-V66 HydrophobicContact CD1-CG1 3.78Å; I45-V66 HydrophobicContact CD1-CG2 4.24Å; I45-V66 HydrophobicContact CG1-CG1 3.93Å; I45-V66 HydrophobicContact CG2-CG1 3.85Å; P47-V66 HydrophobicContact CB-CG1 4.09Å; P47-V66 HydrophobicContact CG-CG1 4.25Å; V66-A73 HydrophobicContact CG1-CB 4.16Å
67	D	97.1	Very high	96.6	Very high	53 Å²	53	50.3 Å²	50.3	28%	0.283	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	105.1	163.9	173.7	10.6	0	0	0	108.4	S69 S70 S71 T72 Y74	D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 2.87Å; D67-S69 WeakPolarHBondContact OD1-CB 2.98Å; D67-S69 PolarHBondContact OD1-N 2.82Å; D67-S69 PolarHBondContact OD1-OG 2.9Å; D67-S69 PolarHBondContact OD2-OG 3.15Å; D67-S70 PolarHBondContact OD1-N 2.85Å; D67-S70 VanDerWaalsContact OD2-CB 3.29Å; D67-S70 WeakPolarHBondContact OD2-CB 2.98Å; D67-S70 PolarHBondContact OD2-OG 3.3Å; D67-S71 PolarHBondContact O-N 2.96Å; D67-T72 PolarHBondContact N-O 2.84Å; D67-T72 PolarHBondContact O-N 2.9Å; D67-Y74 HydrophobicContact CB-CE2 3.94Å
68	K	94.8	Very high	96.7	Very high	99 Å²	99	44.6 Å²	44.6	43%	0.43	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-30.4	-178	-52.6	-173.4	-163.8	-169.1	0	111.8	T24 P47 S48 S70 S71	T24-K68 HydrophobicContact CG2-CD 4.41Å; P47-K68 WeakPolarHBondContact O-CD 3.45Å; P47-K68 WeakPolarHBondContact O-CE 3.35Å; P47-K68 PolarHBondContact O-NZ 3.22Å; S48-K68 PolarHBondContact O-NZ 3.34Å; K68-S70 VanDerWaalsContact C-N 3.34Å; K68-S70 PolarHBondContact O-N 3.32Å; K68-S71 PolarHBondContact O-N 3.25Å
69	S	94.5	Very high	96.7	Very high	110 Å²	110	47.9 Å²	47.9	77%	0.769	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-37.2	-177.3	74.3	0	0	0	0	111.9	D67	D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 2.87Å; D67-S69 WeakPolarHBondContact OD1-CB 2.98Å; D67-S69 PolarHBondContact OD1-N 2.82Å; D67-S69 PolarHBondContact OD1-OG 2.9Å; D67-S69 PolarHBondContact OD2-OG 3.15Å
70	S	96.3	Very high	96.8	Very high	35 Å²	35	41.5 Å²	41.5	25%	0.245	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-1.5	177	67.6	0	0	0	0	113.6	K17 D67 K68 T72	K17-S70 WeakPolarHBondContact CE-O 3.49Å; D67-S70 PolarHBondContact OD1-N 2.85Å; D67-S70 VanDerWaalsContact OD2-CB 3.29Å; D67-S70 WeakPolarHBondContact OD2-CB 2.98Å; D67-S70 PolarHBondContact OD2-OG 3.3Å; K68-S70 VanDerWaalsContact C-N 3.34Å; K68-S70 PolarHBondContact O-N 3.32Å; S70-T72 VanDerWaalsContact C-N 3.27Å; S70-T72 PolarHBondContact O-N 2.93Å; S70-T72 PolarHBondContact O-OG1 3.23Å; S70-T72 WeakPolarHBondContact OG-CB 3.07Å; S70-T72 PolarHBondContact OG-OG1 2.95Å
71	S	96.4	Very high	96.9	Very high	41 Å²	41	41 Å²	41	29%	0.287	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	43.8	-172.9	-61.5	0	0	0	0	112.6	A18 D67 K68	A18-S71 PolarHBondContact N-O 3.01Å; D67-S71 PolarHBondContact O-N 2.96Å; K68-S71 PolarHBondContact O-N 3.25Å
72	T	97.5	Very high	96.8	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.055	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.4	-174.5	-50.9	0	0	0	0	110.9	C16 K17 D67 S70 Y74	C16-T72 CarbonylContact O-C 3.57Å; C16-T72 WeakPolarHBondContact O-CA 3.44Å; K17-T72 HydrophobicContact CB-CG2 4.45Å; D67-T72 PolarHBondContact N-O 2.84Å; D67-T72 PolarHBondContact O-N 2.9Å; S70-T72 VanDerWaalsContact C-N 3.27Å; S70-T72 PolarHBondContact O-N 2.93Å; S70-T72 PolarHBondContact O-OG1 3.23Å; S70-T72 WeakPolarHBondContact OG-CB 3.07Å; S70-T72 PolarHBondContact OG-OG1 2.95Å; T72-Y74 HydrophobicContact CG2-CD1 4.3Å; T72-Y74 HydrophobicContact CG2-CD2 4.4Å; T72-Y74 HydrophobicContact CG2-CE1 3.69Å; T72-Y74 HydrophobicContact CG2-CE2 3.79Å
73	A	97.7	Very high	96.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	150.4	166.3	0	0	0	0	0	110.4	S15 C16 F23 M28 W30 V66	S15-A73 CarbonylContact C-O 3.57Å; S15-A73 WeakPolarHBondContact CA-O 3.46Å; C16-A73 PolarHBondContact N-O 3.03Å; C16-A73 PolarHBondContact O-N 3.09Å; F23-A73 HydrophobicContact CE2-CB 4.32Å; F23-A73 HydrophobicContact CZ-CB 4.03Å; M28-A73 HydrophobicContact CB-CB 4.13Å; M28-A73 HydrophobicContact CG-CB 3.55Å; W30-A73 HydrophobicContact CZ2-CB 4.43Å; V66-A73 HydrophobicContact CG1-CB 4.16Å
74	Y	98.1	Very high	96.4	Very high	52 Å²	52	46.3 Å²	46.3	20%	0.204	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.4	177.7	-55	-89.1	0	0	0	111.2	K13 L14 S15 L64 T65 D67 T72	K13-Y74 HydrophobicContact CD-CD1 4.4Å; K13-Y74 VanDerWaalsContact CE-CD1 3.46Å; K13-Y74 VanDerWaalsContact CE-CG 3.48Å; K13-Y74 HydrophobicContact CG-CD1 4.38Å; L14-Y74 CarbonylContact O-C 3.5Å; L14-Y74 WeakPolarHBondContact O-CA 3.44Å; L14-Y74 WeakPolarHBondContact O-CB 3.43Å; S15-Y74 VanDerWaalsContact CB-CD1 3.49Å; S15-Y74 VanDerWaalsContact CB-CE1 3.45Å; L64-Y74 WeakPolarHBondContact CA-O 3.48Å; T65-Y74 PolarHBondContact N-O 3.42Å; T65-Y74 PolarHBondContact O-N 2.94Å; D67-Y74 HydrophobicContact CB-CE2 3.94Å; T72-Y74 HydrophobicContact CG2-CD1 4.3Å; T72-Y74 HydrophobicContact CG2-CD2 4.4Å; T72-Y74 HydrophobicContact CG2-CE1 3.69Å; T72-Y74 HydrophobicContact CG2-CE2 3.79Å
75	M	98.2	Very high	96.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.7	166.5	176.8	179.1	67.1	0	0	108.9	K13 L14 W30 I42 A62 T63 L64 L77 Y88	K13-M75 WeakPolarHBondContact CA-O 3.33Å; L14-M75 HydrophobicContact CD1-CE 3.68Å; L14-M75 HydrophobicContact CG-CE 4.43Å; L14-M75 PolarHBondContact N-O 2.02Å; L14-M75 PolarHBondContact O-N 3.15Å; W30-M75 HydrophobicContact CB-SD 3.9Å; W30-M75 HydrophobicContact CD2-CB 3.61Å; W30-M75 HydrophobicContact CD2-CE 4.29Å; W30-M75 HydrophobicContact CD2-CG 4.45Å; W30-M75 HydrophobicContact CD2-SD 4.15Å; W30-M75 HydrophobicContact CE3-CB 3.9Å; W30-M75 HydrophobicContact CE3-CE 3.75Å; W30-M75 HydrophobicContact CE3-SD 4.22Å; W30-M75 HydrophobicContact CG-CB 4.08Å; W30-M75 HydrophobicContact CG-SD 4.04Å; W30-M75 HydrophobicContact CH2-CB 4.14Å; W30-M75 HydrophobicContact CZ2-CB 3.89Å; W30-M75 HydrophobicContact CZ3-CB 4.15Å; W30-M75 HydrophobicContact CZ3-CE 4.29Å; I42-M75 HydrophobicContact CD1-CE 3.91Å; I42-M75 HydrophobicContact CD1-SD 3.61Å; I42-M75 HydrophobicContact CG2-SD 3.92Å; A62-M75 HydrophobicContact CB-CG 4.3Å; A62-M75 HydrophobicContact CB-SD 4.27Å; T63-M75 WeakPolarHBondContact O-CA 2.87Å; L64-M75 HydrophobicContact CD2-CB 3.68Å; L64-M75 HydrophobicContact CD2-CG 3.63Å; L64-M75 HydrophobicContact CD2-SD 4.22Å; M75-L77 HydrophobicContact CE-CD1 3.83Å; M75-L77 HydrophobicContact CE-CD2 4.15Å; M75-L77 HydrophobicContact CE-CG 3.91Å; M75-L77 HydrophobicContact CG-CD2 4.39Å; M75-L77 HydrophobicContact CG-CG 4.33Å; M75-L77 HydrophobicContact SD-CD2 3.98Å; M75-L77 HydrophobicContact SD-CG 4.26Å; M75-Y88 HydrophobicContact CE-CD1 3.62Å; M75-Y88 HydrophobicContact CE-CE1 4.15Å; M75-Y88 HydrophobicContact CE-CG 4.25Å
76	Q	98.1	Very high	96.3	Very high	82 Å²	82	45 Å²	45	38%	0.383	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.2	167.5	-176.9	173.8	1.4	0	0	109.3	V12 A62 T63	V12-Q76 CarbonylContact O-C 3.6Å; V12-Q76 VanDerWaalsContact O-CA 3.29Å; V12-Q76 WeakPolarHBondContact O-CA 3.25Å; A62-Q76 CarbonylContact C-O 3.46Å; A62-Q76 WeakPolarHBondContact CA-O 3.45Å; T63-Q76 PolarHBondContact N-O 2.8Å; T63-Q76 PolarHBondContact O-N 2.75Å
77	L	97.3	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.7	170.2	-64.5	165.8	0	0	0	108.8	S11 V12 K61 A62 M75 L80 Y88	S11-L77 CarbonylContact C-O 3.51Å; S11-L77 WeakPolarHBondContact CA-O 3.15Å; S11-L77 WeakPolarHBondContact CB-O 3.46Å; V12-L77 HydrophobicContact CG1-CB 4.25Å; V12-L77 HydrophobicContact CG1-CD1 4.33Å; V12-L77 PolarHBondContact N-O 3.29Å; V12-L77 PolarHBondContact O-N 2.81Å; K61-L77 WeakPolarHBondContact O-CA 3.45Å; A62-L77 HydrophobicContact CB-CD2 3.98Å; M75-L77 HydrophobicContact CE-CD1 3.83Å; M75-L77 HydrophobicContact CE-CD2 4.15Å; M75-L77 HydrophobicContact CE-CG 3.91Å; M75-L77 HydrophobicContact CG-CD2 4.39Å; M75-L77 HydrophobicContact CG-CG 4.33Å; M75-L77 HydrophobicContact SD-CD2 3.98Å; M75-L77 HydrophobicContact SD-CG 4.26Å; L77-L80 HydrophobicContact CB-CD2 3.73Å; L77-L80 HydrophobicContact CD1-CD2 4.31Å; L77-Y88 HydrophobicContact CD1-CD1 4.12Å; L77-Y88 HydrophobicContact CD1-CE1 3.51Å; L77-Y88 HydrophobicContact CD1-CE2 4.07Å; L77-Y88 VanDerWaalsContact CD1-CZ 3.48Å
78	S	96.6	Very high	96.3	Very high	30 Å²	30	43.1 Å²	43.1	21%	0.21	25%	0.252	C	S	.	.			trans	-109.8	154.2	-175.7	-59.6	0	0	0	0	112.3	S11 K61 L80	S11-S78 WeakPolarHBondContact OG-CA 3.16Å; K61-S78 WeakPolarHBondContact CD-O 3.46Å; K61-S78 WeakPolarHBondContact CE-O 3.18Å; K61-S78 PolarHBondContact NZ-O 3.2Å; K61-S78 PolarHBondContact O-N 3.08Å; S78-L80 PolarHBondContact O-N 2.86Å
79	S	95.6	Very high	96.4	Very high	79 Å²	79	40.7 Å²	40.7	55%	0.552	24%	0.241	S	C	*	.	S	Bend	trans	52.4	49.1	172.9	-53.4	0	0	0	0	113.3	A10 K61	A10-S79 PolarHBondContact O-N 3.01Å; K61-S79 PolarHBondContact NZ-O 3.21Å
80	L	95.8	Very high	96.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.208	C	C	.	.			trans	-60.3	142	-171.4	-70.5	172.6	0	0	0	113.1	V6 P8 G9 A10 V12 L77 S78 D84 V110 V112	V6-L80 HydrophobicContact CB-CD1 4.46Å; V6-L80 HydrophobicContact CG2-CD1 3.64Å; P8-L80 WeakPolarHBondContact CA-O 3.29Å; G9-L80 PolarHBondContact N-O 2.91Å; A10-L80 WeakPolarHBondContact O-CB 3.48Å; A10-L80 WeakPolarHBondContact O-CG 3.47Å; A10-L80 PolarHBondContact O-N 2.81Å; V12-L80 HydrophobicContact CB-CD1 3.97Å; V12-L80 HydrophobicContact CG1-CD1 3.83Å; L77-L80 HydrophobicContact CB-CD2 3.73Å; L77-L80 HydrophobicContact CD1-CD2 4.31Å; S78-L80 PolarHBondContact O-N 2.86Å; L80-D84 WeakPolarHBondContact CA-OD2 3.18Å; L80-D84 HydrophobicContact CD2-CB 3.61Å; L80-V110 HydrophobicContact CD1-CG1 4.45Å; L80-V112 HydrophobicContact CB-CG1 4.43Å; L80-V112 HydrophobicContact CB-CG2 3.97Å
81	T	95.3	Very high	96.4	Very high	62 Å²	62	34.5 Å²	34.5	38%	0.38	20%	0.197	S	C	.	.			trans	-121.8	169.2	174.2	67.6	0	0	0	0	110.3	E83 D84 V112	T81-E83 PolarHBondContact O-N 2.9Å; T81-E83 VanDerWaalsContact O-N 3.1Å; T81-D84 PolarHBondContact N-OD2 3.17Å; T81-D84 VanDerWaalsContact O-CB 3.31Å; T81-D84 WeakPolarHBondContact O-CB 3.3Å; T81-D84 PolarHBondContact O-N 2.78Å; T81-D84 PolarHBondContact OG1-OD2 2.89Å; T81-V112 WeakPolarHBondContact O-CB 3.29Å; T81-V112 VanDerWaalsContact O-CG2 3.24Å; T81-V112 WeakPolarHBondContact O-CG2 2.98Å
82	S	93.6	Very high	96.2	Very high	78 Å²	78	32.6 Å²	32.6	55%	0.545	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-53.7	-31.9	176.8	53.9	0	0	0	0	113.2	D84 S85	S82-D84 PolarHBondContact O-N 2.77Å; S82-S85 WeakPolarHBondContact O-CB 3.46Å; S82-S85 PolarHBondContact O-N 3.09Å; S82-S85 VanDerWaalsContact O-N 3.09Å; S82-S85 PolarHBondContact O-OG 2.85Å
83	E	92.4	Very high	95.7	Very high	134 Å²	134	33.7 Å²	33.7	63%	0.626	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-67.7	-14.4	176.4	-60	-175.3	175.4	0	0	114.4	K32 R34 T81 S85	K32-E83 PolarHBondContact NZ-O 2.86Å; R34-E83 PolarHBondContact NE-O 2.85Å; R34-E83 PolarHBondContact NH2-O 2.83Å; T81-E83 PolarHBondContact O-N 2.9Å; T81-E83 VanDerWaalsContact O-N 3.1Å; E83-S85 VanDerWaalsContact C-N 3.32Å
84	D	95.1	Very high	95.2	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.059	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-83.5	-6.6	173.3	-63.3	-48.7	0	0	0	113.3	K32 K61 L80 T81 S82 A86 Y88 V112	K32-D84 IonicContact NZ-OD1 2.82Å; K32-D84 PolarHBondContact NZ-OD1 3.01Å; K61-D84 WeakPolarHBondContact CE-OD2 3.28Å; K61-D84 IonicContact NZ-OD2 2.9Å; K61-D84 PolarHBondContact NZ-OD2 3.01Å; L80-D84 WeakPolarHBondContact CA-OD2 3.18Å; L80-D84 HydrophobicContact CD2-CB 3.61Å; T81-D84 PolarHBondContact N-OD2 3.17Å; T81-D84 VanDerWaalsContact O-CB 3.31Å; T81-D84 WeakPolarHBondContact O-CB 3.3Å; T81-D84 PolarHBondContact O-N 2.78Å; T81-D84 PolarHBondContact OG1-OD2 2.89Å; S82-D84 PolarHBondContact O-N 2.77Å; D84-A86 PolarHBondContact O-N 2.85Å; D84-A86 VanDerWaalsContact O-N 3.11Å; D84-Y88 WeakPolarHBondContact O-CE2 3.4Å; D84-Y88 PolarHBondContact O-OH 3.13Å; D84-V112 HydrophobicContact CB-CG2 4.27Å
85	S	96.3	Very high	94.1	Very high	34 Å²	34	40.8 Å²	40.8	24%	0.238	22%	0.224	C	C	.	.			trans	-65.1	114.2	173.9	-55.7	0	0	0	0	110.7	S82 E83 V110 V112	S82-S85 WeakPolarHBondContact O-CB 3.46Å; S82-S85 PolarHBondContact O-N 3.09Å; S82-S85 VanDerWaalsContact O-N 3.09Å; S82-S85 PolarHBondContact O-OG 2.85Å; E83-S85 VanDerWaalsContact C-N 3.32Å; S85-V110 CarbonylContact C-O 3.57Å; S85-V110 VanDerWaalsContact CA-O 3.25Å; S85-V110 WeakPolarHBondContact CA-O 3.13Å; S85-V112 PolarHBondContact OG-N 3.48Å
86	A	96.9	Very high	92.7	Very high	6 Å²	6	43 Å²	43	5%	0.05	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	170.6	-171.3	0	0	0	0	0	111.2	K32 Q33 R34 D84 Y88 V110	K32-A86 HydrophobicContact CD-CB 4.18Å; K32-A86 HydrophobicContact CG-CB 3.55Å; Q33-A86 WeakPolarHBondContact O-CA 3.42Å; Q33-A86 WeakPolarHBondContact O-CB 3.07Å; R34-A86 HydrophobicContact CG-CB 4.3Å; D84-A86 PolarHBondContact O-N 2.85Å; D84-A86 VanDerWaalsContact O-N 3.11Å; A86-Y88 HydrophobicContact CB-CD2 4.33Å; A86-Y88 HydrophobicContact CB-CE2 3.81Å; A86-V110 PolarHBondContact N-O 3.3Å; A86-V110 PolarHBondContact O-N 3.42Å
87	V	97.5	Very high	91.1	Very high	41 Å²	41	46.9 Å²	46.9	25%	0.248	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131	161.2	-169.6	0	0	0	0	108.8	Q33 Y89	Q33-V87 PolarHBondContact N-O 3.32Å; Q33-V87 PolarHBondContact O-N 3.48Å; V87-Y89 HydrophobicContact CB-CE2 3.73Å; V87-Y89 HydrophobicContact CG1-CD2 4.25Å; V87-Y89 HydrophobicContact CG1-CE1 3.95Å; V87-Y89 HydrophobicContact CG1-CE2 3.52Å; V87-Y89 WeakPolarHBondContact CG1-OH 3.33Å
88	Y	97.8	Very high	89.4	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.4	179.7	-70.3	-89.8	0	0	0	110.1	L14 V31 K32 I42 M75 L77 D84 A86 G107 T108 V110	L14-Y88 HydrophobicContact CD1-CD1 4.41Å; L14-Y88 HydrophobicContact CD1-CD2 4.21Å; L14-Y88 HydrophobicContact CD1-CG 3.77Å; V31-Y88 CarbonylContact O-C 3.54Å; V31-Y88 WeakPolarHBondContact O-CA 3.44Å; K32-Y88 HydrophobicContact CB-CD1 4.14Å; K32-Y88 HydrophobicContact CB-CE1 3.9Å; K32-Y88 HydrophobicContact CD-CE1 3.97Å; K32-Y88 WeakPolarHBondContact CE-OH 3.32Å; K32-Y88 HydrophobicContact CG-CD1 4.28Å; K32-Y88 HydrophobicContact CG-CE1 3.74Å; I42-Y88 HydrophobicContact CD1-CD1 3.71Å; I42-Y88 HydrophobicContact CD1-CE1 3.77Å; M75-Y88 HydrophobicContact CE-CD1 3.62Å; M75-Y88 HydrophobicContact CE-CE1 4.15Å; M75-Y88 HydrophobicContact CE-CG 4.25Å; L77-Y88 HydrophobicContact CD1-CD1 4.12Å; L77-Y88 HydrophobicContact CD1-CE1 3.51Å; L77-Y88 HydrophobicContact CD1-CE2 4.07Å; L77-Y88 VanDerWaalsContact CD1-CZ 3.48Å; D84-Y88 WeakPolarHBondContact O-CE2 3.4Å; D84-Y88 PolarHBondContact O-OH 3.13Å; A86-Y88 HydrophobicContact CB-CD2 4.33Å; A86-Y88 HydrophobicContact CB-CE2 3.81Å; Y88-G107 CarbonylContact O-C 3.6Å; Y88-G107 VanDerWaalsContact O-CA 3.25Å; Y88-G107 WeakPolarHBondContact O-CA 3.35Å; Y88-T108 PolarHBondContact N-O 2.97Å; Y88-T108 PolarHBondContact O-N 3.37Å; Y88-V110 HydrophobicContact CD2-CB 3.96Å; Y88-V110 HydrophobicContact CD2-CG2 3.7Å; Y88-V110 HydrophobicContact CE2-CB 3.83Å; Y88-V110 HydrophobicContact CE2-CG2 3.99Å
89	Y	96.9	Very high	87.6	Confident	48 Å²	48	63 Å²	63	19%	0.188	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.9	-178.6	-59.6	-88.5	0	0	0	109.8	W30 V31 Q33 V87 W104 G107	W30-Y89 WeakPolarHBondContact CA-O 3.47Å; V31-Y89 PolarHBondContact N-O 2.8Å; V31-Y89 PolarHBondContact O-N 3.26Å; Q33-Y89 HydrophobicContact CB-CD2 4.36Å; Q33-Y89 HydrophobicContact CB-CE2 3.8Å; Q33-Y89 PolarHBondContact OE1-OH 3.01Å; V87-Y89 HydrophobicContact CB-CE2 3.73Å; V87-Y89 HydrophobicContact CG1-CD2 4.25Å; V87-Y89 HydrophobicContact CG1-CE1 3.95Å; V87-Y89 HydrophobicContact CG1-CE2 3.52Å; V87-Y89 WeakPolarHBondContact CG1-OH 3.33Å; Y89-W104 HydrophobicContact CG-CE3 4.32Å; Y89-W104 HydrophobicContact CG-CZ3 4.36Å; Y89-G107 VanDerWaalsContact CE1-CA 3.49Å
90	C	95.9	Very high	86.1	Confident	12 Å²	12	61.9 Å²	61.9	8%	0.081	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	149.6	158.2	60.8	0	0	0	0	109	C16 M28 H29 W30 G105	C16-C90 HydrophobicContact CB-CB 3.39Å; C16-C90 WeakPolarHBondContact CB-SG 3.47Å; C16-C90 WeakPolarHBondContact SG-CB 3.39Å; C16-C90 CovalentContact SG-SG 2.02Å; C16-C90 PolarHBondContact SG-SG 2.79Å; M28-C90 HydrophobicContact SD-CB 3.76Å; H29-C90 CarbonylContact O-C 3.49Å; H29-C90 VanDerWaalsContact O-CA 3.25Å; H29-C90 WeakPolarHBondContact O-CA 3.12Å; W30-C90 HydrophobicContact CD2-CB 4.42Å; W30-C90 HydrophobicContact CE3-CB 4.24Å; W30-C90 HydrophobicContact CH2-CB 4.31Å; W30-C90 HydrophobicContact CZ2-CB 4.45Å; W30-C90 HydrophobicContact CZ3-CB 4.19Å; C90-G105 PolarHBondContact O-N 3.42Å
91	A	94.7	Very high	85	Confident	2 Å²	2	64.3 Å²	64.3	2%	0.017	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.9	173.1	0	0	0	0	0	110.1	M28 H29 M101 Y103 W104	M28-A91 VanDerWaalsContact SD-O 3.32Å; H29-A91 PolarHBondContact N-O 2.77Å; H29-A91 PolarHBondContact O-N 3.16Å; A91-M101 HydrophobicContact CB-CB 4.14Å; A91-M101 HydrophobicContact CB-CG 4.11Å; A91-M101 HydrophobicContact CB-SD 3.46Å; A91-M101 WeakPolarHBondContact CB-SD 3.43Å; A91-Y103 CarbonylContact C-O 3.6Å; A91-Y103 WeakPolarHBondContact CA-O 3.14Å; A91-Y103 WeakPolarHBondContact CB-O 3.5Å; A91-W104 HydrophobicContact CB-CD2 3.71Å; A91-W104 HydrophobicContact CB-CE3 3.96Å; A91-W104 HydrophobicContact CB-CG 4.13Å; A91-W104 HydrophobicContact CB-CH2 4.33Å; A91-W104 HydrophobicContact CB-CZ2 4.12Å; A91-W104 HydrophobicContact CB-CZ3 4.26Å
92	S	92.1	Very high	84.1	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.007	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.4	-179.4	63.7	0	0	0	0	113.5	Y21 W27 D102 Y103	Y21-S92 PolarHBondContact OH-OG 3.02Å; W27-S92 WeakPolarHBondContact O-CA 3.33Å; W27-S92 WeakPolarHBondContact O-CB 3.45Å; S92-D102 PolarHBondContact O-N 3.18Å; S92-Y103 PolarHBondContact N-O 2.63Å; S92-Y103 PolarHBondContact O-N 3.31Å; S92-Y103 WeakPolarHBondContact OG-CB 3.49Å
93	I	88.8	Confident	83.7	Confident	33 Å²	33	66.6 Å²	66.6	17%	0.169	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.8	178.4	-60.9	-179.7	0	0	0	108.9	Y26 W27 H29 Y97 M101	Y26-I93 CarbonylContact C-O 3.53Å; Y26-I93 WeakPolarHBondContact CA-O 3.34Å; Y26-I93 WeakPolarHBondContact CB-O 3.44Å; Y26-I93 WeakPolarHBondContact CD1-O 3.48Å; W27-I93 PolarHBondContact N-O 2.83Å; W27-I93 PolarHBondContact O-N 3.26Å; W27-I93 VanDerWaalsContact O-N 3.08Å; H29-I93 VanDerWaalsContact NE2-CD1 3.27Å; H29-I93 WeakPolarHBondContact NE2-CD1 3.39Å; H29-I93 WeakPolarHBondContact NE2-CG1 3.4Å; I93-Y97 WeakPolarHBondContact CG2-O 3.48Å; I93-M101 HydrophobicContact CD1-CE 4.17Å; I93-M101 HydrophobicContact CD1-CG 3.58Å; I93-M101 HydrophobicContact CG1-CB 4.24Å; I93-M101 HydrophobicContact CG1-CG 3.6Å
94	Y	86	Confident	83.7	Confident	103 Å²	103	65.7 Å²	65.7	40%	0.404	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	136.4	174.8	-175.8	-111.8	0	0	0	111.2	S25 Y26 G96 Y97	S25-Y94 WeakPolarHBondContact O-CD2 3.39Å; Y26-Y94 VanDerWaalsContact CD1-CA 3.48Å; Y26-Y94 HydrophobicContact CD2-CD2 4.04Å; Y26-Y94 HydrophobicContact CE1-CD2 4.17Å; Y26-Y94 HydrophobicContact CE1-CG 4.36Å; Y26-Y94 AromaticContact CE2-CD2 3.53Å; Y26-Y94 HydrophobicContact CE2-CD2 3.53Å; Y26-Y94 HydrophobicContact CE2-CE2 4.28Å; Y26-Y94 HydrophobicContact CE2-CG 4.47Å; Y26-Y94 AromaticContact CZ-CD2 3.59Å; Y94-G96 PolarHBondContact O-N 2.9Å; Y94-Y97 HydrophobicContact CD1-CD2 4.13Å; Y94-Y97 PolarHBondContact O-N 2.82Å
95	D	75.1	Confident	83.6	Confident	98 Å²	98	66.4 Å²	66.4	52%	0.524	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	11.2	-175.6	-166.9	37.7	0	0	0	115.4	S25 W27	S25-D95 WeakPolarHBondContact O-CB 3.43Å; S25-D95 PolarHBondContact O-N 2.94Å; S25-D95 VanDerWaalsContact O-N 3.09Å; W27-D95 PolarHBondContact NE1-OD1 2.66Å
96	G	69.3	Low	83.5	Confident	46 Å²	46	73.8 Å²	73.8	47%	0.474	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133	0.3	179.6	0	0	0	0	0	116.1	Y94	Y94-G96 PolarHBondContact O-N 2.9Å
97	Y	64.3	Low	83.3	Confident	163 Å²	163	74.3 Å²	74.3	64%	0.639	37%	0.37	S	S	*	.			trans	-130.1	130.9	177.9	-86.2	-87	0	0	0	110.7	I93 Y94	I93-Y97 WeakPolarHBondContact CG2-O 3.48Å; Y94-Y97 HydrophobicContact CD1-CD2 4.13Å; Y94-Y97 PolarHBondContact O-N 2.82Å
98	Y	62.3	Low	83.3	Confident	222 Å²	222	73 Å²	73	87%	0.871	36%	0.361	S	S	*	.			trans	-97.9	3.2	-175.4	-68.2	-72.9	0	0	0	114.4
99	D	58.3	Low	83.3	Confident	146 Å²	146	75.1 Å²	75.1	78%	0.781	38%	0.377	S	S	*	.	S	Bend	trans	-101.4	-20.8	-159.2	-63.6	-38.1	0	0	0	115.3
100	A	63.6	Low	83.2	Confident	57 Å²	57	72.9 Å²	72.9	47%	0.471	37%	0.368	S	S	.	.			trans	-159.6	150.6	176.8	0	0	0	0	0	115.5	D102	A100-D102 PolarHBondContact O-N 3.06Å
101	M	73	Confident	83.3	Confident	51 Å²	51	75.2 Å²	75.2	25%	0.251	38%	0.382	S	S	.	.			trans	-73.9	98.7	164	-75.9	-176.1	176.3	0	0	110.2	H29 A91 I93 Y103 W104	H29-M101 HydrophobicContact CB-CE 3.46Å; H29-M101 VanDerWaalsContact CB-CE 3.46Å; A91-M101 HydrophobicContact CB-CB 4.14Å; A91-M101 HydrophobicContact CB-CG 4.11Å; A91-M101 HydrophobicContact CB-SD 3.46Å; A91-M101 WeakPolarHBondContact CB-SD 3.43Å; I93-M101 HydrophobicContact CD1-CE 4.17Å; I93-M101 HydrophobicContact CD1-CG 3.58Å; I93-M101 HydrophobicContact CG1-CB 4.24Å; I93-M101 HydrophobicContact CG1-CG 3.6Å; M101-Y103 PolarHBondContact O-N 3.49Å; M101-W104 HydrophobicContact CB-CZ2 3.97Å; M101-W104 VanDerWaalsContact CB-NE1 3.33Å; M101-W104 HydrophobicContact CG-CZ2 4.27Å; M101-W104 PolarHBondContact O-NE1 3.03Å; M101-W104 HydrophobicContact SD-CH2 3.83Å; M101-W104 HydrophobicContact SD-CZ2 3.37Å; M101-W104 WeakPolarHBondContact SD-CZ2 2.92Å
102	D	75.4	Confident	83.3	Confident	82 Å²	82	75.5 Å²	75.5	44%	0.439	38%	0.383	S	S	.	.			trans	-66.6	-35.6	-170.7	-62.9	-43.6	0	0	0	113.5	S92 A100	S92-D102 PolarHBondContact O-N 3.18Å; A100-D102 PolarHBondContact O-N 3.06Å
103	Y	86.4	Confident	83.2	Confident	107 Å²	107	77.7 Å²	77.7	42%	0.42	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.4	-176.1	-53.3	-84.1	0	0	0	110.9	Y21 Y26 A91 S92 M101	Y21-Y103 HydrophobicContact CD1-CD2 4.25Å; Y21-Y103 HydrophobicContact CD1-CE2 4.26Å; Y21-Y103 HydrophobicContact CE1-CD2 4.2Å; Y21-Y103 HydrophobicContact CE1-CG 4.24Å; Y26-Y103 HydrophobicContact CE1-CD2 4.07Å; Y26-Y103 AromaticContact CE1-CE2 3.73Å; Y26-Y103 HydrophobicContact CE1-CE2 3.73Å; A91-Y103 CarbonylContact C-O 3.6Å; A91-Y103 WeakPolarHBondContact CA-O 3.14Å; A91-Y103 WeakPolarHBondContact CB-O 3.5Å; S92-Y103 PolarHBondContact N-O 2.63Å; S92-Y103 PolarHBondContact O-N 3.31Å; S92-Y103 WeakPolarHBondContact OG-CB 3.49Å; M101-Y103 PolarHBondContact O-N 3.49Å
104	W	92.7	Very high	82.6	Confident	114 Å²	114	84.2 Å²	84.2	43%	0.432	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.7	176.3	-73.8	75	0	0	0	111	V31 L39 Y89 A91 M101	V31-W104 HydrophobicContact CB-CH2 4.4Å; V31-W104 HydrophobicContact CB-CZ3 4.18Å; V31-W104 HydrophobicContact CG1-CH2 4.39Å; V31-W104 HydrophobicContact CG1-CZ3 4.38Å; V31-W104 HydrophobicContact CG2-CH2 3.97Å; V31-W104 HydrophobicContact CG2-CZ3 4.12Å; L39-W104 HydrophobicContact CD1-CH2 3.85Å; L39-W104 HydrophobicContact CD1-CZ3 4.37Å; Y89-W104 HydrophobicContact CG-CE3 4.32Å; Y89-W104 HydrophobicContact CG-CZ3 4.36Å; A91-W104 HydrophobicContact CB-CD2 3.71Å; A91-W104 HydrophobicContact CB-CE3 3.96Å; A91-W104 HydrophobicContact CB-CG 4.13Å; A91-W104 HydrophobicContact CB-CH2 4.33Å; A91-W104 HydrophobicContact CB-CZ2 4.12Å; A91-W104 HydrophobicContact CB-CZ3 4.26Å; M101-W104 HydrophobicContact CB-CZ2 3.97Å; M101-W104 VanDerWaalsContact CB-NE1 3.33Å; M101-W104 HydrophobicContact CG-CZ2 4.27Å; M101-W104 PolarHBondContact O-NE1 3.03Å; M101-W104 HydrophobicContact SD-CH2 3.83Å; M101-W104 HydrophobicContact SD-CZ2 3.37Å; M101-W104 WeakPolarHBondContact SD-CZ2 2.92Å
105	G	92.8	Very high	82.4	Confident	27 Å²	27	83.3 Å²	83.3	28%	0.278	45%	0.45	S	S	.	.			trans	-70.6	160.7	167.2	0	0	0	0	0	111.7	C90 G107	C90-G105 PolarHBondContact O-N 3.42Å; G105-G107 PolarHBondContact O-N 3Å; G105-G107 VanDerWaalsContact O-N 3.08Å
106	Q	92.9	Very high	82.8	Confident	189 Å²	189	82.5 Å²	82.5	88%	0.883	45%	0.446	S	S	*	.			trans	-65.3	-11.9	179.4	-65.6	-64.1	-48.8	0	0	114.2
107	G	94.6	Very high	83.6	Confident	17 Å²	17	84.6 Å²	84.6	18%	0.175	44%	0.444	C	S	.	.			trans	86.2	155.9	-174.6	0	0	0	0	0	112.9	Y88 Y89 G105	Y88-G107 CarbonylContact O-C 3.6Å; Y88-G107 VanDerWaalsContact O-CA 3.25Å; Y88-G107 WeakPolarHBondContact O-CA 3.35Å; Y89-G107 VanDerWaalsContact CE1-CA 3.49Å; G105-G107 PolarHBondContact O-N 3Å; G105-G107 VanDerWaalsContact O-N 3.08Å
108	T	96.7	Very high	84.7	Confident	13 Å²	13	79.9 Å²	79.9	8%	0.08	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.3	174.6	-61.5	0	0	0	0	108.5	G2 L14 Y88	G2-T108 WeakPolarHBondContact O-CG2 3.32Å; L14-T108 HydrophobicContact CD2-CG2 3.78Å; Y88-T108 PolarHBondContact N-O 2.97Å; Y88-T108 PolarHBondContact O-N 3.37Å
109	S	96.7	Very high	86.1	Confident	47 Å²	47	71.1 Å²	71.1	33%	0.329	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	124.3	176.4	-172.9	0	0	0	0	109.2	A3 E4	A3-S109 CarbonylContact C-O 3.57Å; A3-S109 WeakPolarHBondContact CA-O 3.48Å; E4-S109 PolarHBondContact N-O 3.23Å
110	V	96.6	Very high	88	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.8	170	178.8	0	0	0	0	107.5	E4 V6 V12 L14 L80 S85 A86 Y88	E4-V110 HydrophobicContact CB-CG2 4.49Å; E4-V110 CarbonylContact O-C 3.54Å; E4-V110 WeakPolarHBondContact O-CA 3.48Å; V6-V110 HydrophobicContact CG2-CG1 4.11Å; V12-V110 HydrophobicContact CG1-CG1 4.37Å; V12-V110 HydrophobicContact CG1-CG2 4.38Å; L14-V110 HydrophobicContact CD1-CG2 4.34Å; L14-V110 HydrophobicContact CD2-CG2 4.06Å; L80-V110 HydrophobicContact CD1-CG1 4.45Å; S85-V110 CarbonylContact C-O 3.57Å; S85-V110 VanDerWaalsContact CA-O 3.25Å; S85-V110 WeakPolarHBondContact CA-O 3.13Å; A86-V110 PolarHBondContact N-O 3.3Å; A86-V110 PolarHBondContact O-N 3.42Å; Y88-V110 HydrophobicContact CD2-CB 3.96Å; Y88-V110 HydrophobicContact CD2-CG2 3.7Å; Y88-V110 HydrophobicContact CE2-CB 3.83Å; Y88-V110 HydrophobicContact CE2-CG2 3.99Å
111	T	96.3	Very high	89.7	Confident	61 Å²	61	66.7 Å²	66.7	37%	0.374	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.6	178.1	-57.6	0	0	0	0	108.8	E4 L5 V6	E4-T111 PolarHBondContact O-N 2.63Å; L5-T111 WeakPolarHBondContact CA-O 3.12Å; L5-T111 HydrophobicContact CD1-CG2 3.98Å; V6-T111 PolarHBondContact N-O 3.48Å
112	V	94.9	Very high	91	Very high	7 Å²	7	67.9 Å²	67.9	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.9	176.4	-169.7	0	0	0	0	108.2	V6 P8 L80 T81 D84 S85	V6-V112 HydrophobicContact CG2-CB 4.29Å; V6-V112 HydrophobicContact CG2-CG1 4.43Å; V6-V112 HydrophobicContact CG2-CG2 3.78Å; V6-V112 WeakPolarHBondContact O-CA 3.46Å; P8-V112 HydrophobicContact CG-CG1 4.17Å; L80-V112 HydrophobicContact CB-CG1 4.43Å; L80-V112 HydrophobicContact CB-CG2 3.97Å; T81-V112 WeakPolarHBondContact O-CB 3.29Å; T81-V112 VanDerWaalsContact O-CG2 3.24Å; T81-V112 WeakPolarHBondContact O-CG2 2.98Å; D84-V112 HydrophobicContact CB-CG2 4.27Å; S85-V112 PolarHBondContact OG-N 3.48Å
113	S	89.7	Confident	92.3	Very high	48 Å²	48	66.8 Å²	66.8	34%	0.336	38%	0.379	S	S	.	.			trans	-63.6	143.7	178.8	61.7	0	0	0	0	110.8	V6 P8	V6-S113 PolarHBondContact O-N 2.63Å; V6-S113 PolarHBondContact O-OG 2.96Å; P8-S113 WeakPolarHBondContact CD-O 3.38Å; P8-S113 WeakPolarHBondContact CG-O 3.41Å
114	S	77.3	Confident	92.8	Very high	170 Å²	170	63.1 Å²	63.1	100%	1.189	38%	0.375	S	S	*	.			trans	-75.1	0	174.4	59.2	0	0	0	0	112.7

Retrieved 114 of 114 residues in 31.9 ms (Link to these results)

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