X5J5F3_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5F3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J5F3_MOUSE|X5J5F3
PELVRPGVSVKISCKGSGYTFTDYAMHWVKQSHAKSLEWIGIISTYSGNTNYNQKFKGKATLTVDKSSSTAYMELARMTSEDSAIYYCAREIYYEYGWFAYWGQGTLVTVSV
					

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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	P	73.7	Confident	91.9	Very high	146 Å²	146	84.2 Å²	84.2	95%	0.948	47%	0.465	S	S	*	.				0	123.9	0	-9.1	27.4	0	0	0	109.6	L107	P1-L107 CarbonylContact C-O 3.59Å; P1-L107 WeakPolarHBondContact CA-O 3.47Å; P1-L107 HydrophobicContact CB-CB 4.41Å; P1-L107 HydrophobicContact CB-CD2 4.29Å
2	E	85.9	Confident	92.3	Very high	78 Å²	78	77.8 Å²	77.8	36%	0.364	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.1	179.8	-162.5	179	163.6	0	0	109.1	V4 V10 L107 V108 T109	E2-V4 HydrophobicContact CG-CG1 3.82Å; E2-V10 WeakPolarHBondContact OE2-CG1 3.38Å; E2-L107 PolarHBondContact N-O 3.2Å; E2-V108 HydrophobicContact CB-CG2 4.38Å; E2-V108 CarbonylContact O-C 3.46Å; E2-V108 WeakPolarHBondContact O-CA 3.35Å; E2-T109 PolarHBondContact O-N 2.9Å
3	L	91.6	Very high	92.7	Very high	125 Å²	125	77.6 Å²	77.6	65%	0.654	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.1	176.9	-175.6	69	0	0	0	108.6	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.4Å; L3-T109 HydrophobicContact CD1-CG2 4.01Å; L3-S111 WeakPolarHBondContact CD1-OG 3.43Å
4	V	93.1	Very high	93	Very high	15 Å²	15	73.1 Å²	73.1	9%	0.091	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.7	-173.5	-55.5	0	0	0	0	112	E2 V8 V10 M78 V108 T109 V110 S111	E2-V4 HydrophobicContact CG-CG1 3.82Å; V4-V8 HydrophobicContact CB-CG2 3.88Å; V4-V8 HydrophobicContact CG2-CG2 4.3Å; V4-V10 HydrophobicContact CB-CG2 4.21Å; V4-V10 HydrophobicContact CG1-CG2 3.71Å; V4-V10 HydrophobicContact CG2-CG2 4Å; V4-M78 HydrophobicContact CG2-CB 4.5Å; V4-V108 HydrophobicContact CG2-CG1 4.11Å; V4-T109 PolarHBondContact N-O 3.08Å; V4-V110 HydrophobicContact CG2-CB 4.32Å; V4-V110 HydrophobicContact CG2-CG1 4.41Å; V4-V110 HydrophobicContact CG2-CG2 3.75Å; V4-V110 WeakPolarHBondContact O-CA 3.29Å; V4-S111 PolarHBondContact O-N 2.83Å; V4-S111 VanDerWaalsContact O-N 3.08Å
5	R	93.1	Very high	93.2	Very high	197 Å²	197	78.5 Å²	78.5	74%	0.743	43%	0.429	S	S	*	.			trans	-84	152.8	175.7	-65.1	-178	-177.6	178.4	0.4	110.7	V8	R5-V8 HydrophobicContact CB-CG1 4.41Å; R5-V8 VanDerWaalsContact O-CG2 3.29Å; R5-V8 WeakPolarHBondContact O-CG2 3.36Å
6	P	94.6	Very high	93.1	Very high	66 Å²	66	74.1 Å²	74.1	43%	0.429	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	144.4	173	-23.8	33.2	0	0	0	112.3	V8 M78 V110 S111	P6-V8 VanDerWaalsContact C-N 3.33Å; P6-V8 PolarHBondContact O-N 2.85Å; P6-M78 CarbonylContact C-O 3.58Å; P6-M78 WeakPolarHBondContact CA-O 3.17Å; P6-V110 HydrophobicContact CB-CG1 4.34Å; P6-V110 HydrophobicContact CG-CG1 4.05Å; P6-S111 WeakPolarHBondContact CD-O 3.16Å
7	G	93.6	Very high	92.9	Very high	52 Å²	52	75.6 Å²	75.6	54%	0.536	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	-12.8	174.9	0	0	0	0	0	115.7	M78	G7-M78 PolarHBondContact N-O 2.86Å
8	V	94.9	Very high	92.7	Very high	61 Å²	61	76.4 Å²	76.4	37%	0.37	45%	0.453	S	S	.	.			trans	-77.4	158.4	175.3	-49.4	0	0	0	0	111.4	V4 R5 P6 V10 R77 M78	V4-V8 HydrophobicContact CB-CG2 3.88Å; V4-V8 HydrophobicContact CG2-CG2 4.3Å; R5-V8 HydrophobicContact CB-CG1 4.41Å; R5-V8 VanDerWaalsContact O-CG2 3.29Å; R5-V8 WeakPolarHBondContact O-CG2 3.36Å; P6-V8 VanDerWaalsContact C-N 3.33Å; P6-V8 PolarHBondContact O-N 2.85Å; V8-V10 HydrophobicContact CG2-CG2 4.38Å; V8-R77 PolarHBondContact O-N 2.95Å; V8-M78 WeakPolarHBondContact O-CB 3.33Å; V8-M78 VanDerWaalsContact O-CG 3.29Å; V8-M78 WeakPolarHBondContact O-CG 3.19Å; V8-M78 PolarHBondContact O-N 3.37Å
9	S	96.3	Very high	92.4	Very high	62 Å²	62	75.3 Å²	75.3	43%	0.434	44%	0.441	S	S	.	.			trans	-91.6	145.9	167.5	-60.3	0	0	0	0	110.3	L75	S9-L75 CarbonylContact C-O 3.5Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å
10	V	96.4	Very high	92.4	Very high	2 Å²	2	75.6 Å²	75.6	1%	0.012	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.1	177.4	173	0	0	0	0	109.6	E2 V4 V8 I12 E74 L75 M78 V108	E2-V10 WeakPolarHBondContact OE2-CG1 3.38Å; V4-V10 HydrophobicContact CB-CG2 4.21Å; V4-V10 HydrophobicContact CG1-CG2 3.71Å; V4-V10 HydrophobicContact CG2-CG2 4Å; V8-V10 HydrophobicContact CG2-CG2 4.38Å; V10-I12 HydrophobicContact CG1-CG1 4.11Å; V10-E74 CarbonylContact O-C 3.59Å; V10-E74 VanDerWaalsContact O-CA 3.3Å; V10-E74 WeakPolarHBondContact O-CA 3.2Å; V10-L75 PolarHBondContact N-O 2.95Å; V10-L75 PolarHBondContact O-N 2.88Å; V10-M78 HydrophobicContact CB-CG 4.3Å; V10-M78 HydrophobicContact CG2-CG 3.84Å; V10-V108 HydrophobicContact CG1-CG1 4.48Å; V10-V108 HydrophobicContact CG1-CG2 4.39Å; V10-V108 HydrophobicContact CG2-CG1 4.47Å
11	K	97.2	Very high	92.4	Very high	122 Å²	122	72.2 Å²	72.2	53%	0.53	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.8	178.4	-173.4	176.8	-178.6	177.2	0	110.5	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.4Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.35Å; K11-M73 WeakPolarHBondContact CA-O 3.06Å
12	I	97.2	Very high	93.3	Very high	8 Å²	8	67.4 Å²	67.4	4%	0.041	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.9	179.6	-51.3	-176.2	0	0	0	108.9	V10 W28 Y72 M73 L75 Y86 T106 V108	V10-I12 HydrophobicContact CG1-CG1 4.11Å; I12-W28 HydrophobicContact CB-CH2 4.33Å; I12-W28 HydrophobicContact CB-CZ3 4.06Å; I12-W28 HydrophobicContact CG2-CH2 4.11Å; I12-W28 HydrophobicContact CG2-CZ3 3.71Å; I12-W28 WeakPolarHBondContact O-CH2 3.46Å; I12-Y72 CarbonylContact O-C 3.6Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.23Å; I12-M73 HydrophobicContact CD1-CE 3.78Å; I12-M73 HydrophobicContact CG1-CE 4.43Å; I12-M73 PolarHBondContact N-O 3.02Å; I12-M73 PolarHBondContact O-N 3.12Å; I12-L75 HydrophobicContact CD1-CD1 4.37Å; I12-Y86 HydrophobicContact CD1-CD1 4.48Å; I12-Y86 HydrophobicContact CD1-CD2 3.77Å; I12-Y86 HydrophobicContact CD1-CG 3.67Å; I12-T106 HydrophobicContact CG2-CG2 4.49Å; I12-V108 HydrophobicContact CD1-CG2 4.02Å
13	S	97.2	Very high	93.5	Very high	75 Å²	75	68 Å²	68	52%	0.524	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.7	178.6	63.6	0	0	0	0	112.1	A71 Y72	S13-A71 CarbonylContact C-O 3.53Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å
14	C	96.6	Very high	93.4	Very high	14 Å²	14	64 Å²	64	10%	0.095	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	110.9	172.3	-178.5	0	0	0	0	109.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-T70 WeakPolarHBondContact O-CA 3.27Å; C14-A71 PolarHBondContact N-O 3.13Å; C14-A71 PolarHBondContact O-N 2.91Å; C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.32Å
15	K	95.9	Very high	93.4	Very high	154 Å²	154	63.4 Å²	63.4	67%	0.67	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.8	-178.7	-171.9	174.3	-177.5	177.4	0	110.6	S68 S69	K15-S68 WeakPolarHBondContact CE-O 3.17Å; K15-S69 WeakPolarHBondContact CA-O 3.49Å
16	G	92.3	Very high	93.5	Very high	9 Å²	9	54.1 Å²	54.1	9%	0.093	34%	0.335	C	S	.	.			trans	-76.3	141.8	170.1	0	0	0	0	0	111.7	Y19 S69	G16-Y19 WeakPolarHBondContact CA-OH 3.49Å; G16-S69 PolarHBondContact N-O 2.91Å
17	S	89.9	Confident	93.6	Very high	100 Å²	100	52 Å²	52	70%	0.699	32%	0.319	S	S	*	.			trans	-146.2	138.3	177.9	60.7	0	0	0	0	111.3	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.44Å
18	G	88.9	Confident	93.8	Very high	90 Å²	90	49.6 Å²	49.6	93%	0.928	29%	0.294	S	S	*	.	S	Bend	trans	79.8	19.1	174.9	0	0	0	0	0	115
19	Y	87.1	Confident	93.8	Very high	55 Å²	55	46.9 Å²	46.9	22%	0.216	28%	0.278	C	S	.	.	S	Bend	trans	-157.5	163.9	175.3	62.3	-83.7	0	0	0	110.7	G16 S17 F21 Y24 R90	G16-Y19 WeakPolarHBondContact CA-OH 3.49Å; S17-Y19 WeakPolarHBondContact O-CD1 3.44Å; Y19-F21 HydrophobicContact CE2-CB 4.39Å; Y19-F21 HydrophobicContact CE2-CD2 4.02Å; Y19-F21 PolarHBondContact O-N 3.42Å; Y19-Y24 AromaticContact CD2-CD2 3.38Å; Y19-Y24 HydrophobicContact CD2-CD2 3.38Å; Y19-Y24 AromaticContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CG 4.48Å; Y19-Y24 AromaticContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CE2 4.27Å; Y19-Y24 HydrophobicContact CE2-CG 4.46Å; Y19-Y24 HydrophobicContact CG-CD2 4.44Å; Y19-Y24 HydrophobicContact CG-CE2 4.22Å; Y19-R90 VanDerWaalsContact CE2-CD 3.42Å; Y19-R90 HydrophobicContact CE2-CG 4.32Å
20	T	91.8	Very high	93.8	Very high	80 Å²	80	44.6 Å²	44.6	49%	0.491	26%	0.26	S	S	.	.			trans	-68.5	100.2	170.2	-52.9	0	0	0	0	109.1	T22 D23 Y24	T20-T22 PolarHBondContact O-N 2.82Å; T20-T22 VanDerWaalsContact O-N 3.17Å; T20-D23 WeakPolarHBondContact CB-OD2 3.29Å; T20-D23 HydrophobicContact CG2-CB 4.43Å; T20-D23 VanDerWaalsContact CG2-CG 3.47Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.1Å; T20-D23 VanDerWaalsContact CG2-OD2 3.29Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.35Å; T20-D23 PolarHBondContact O-N 2.87Å; T20-D23 VanDerWaalsContact O-N 3.1Å; T20-Y24 WeakPolarHBondContact O-CD2 3.42Å
21	F	92.3	Very high	93.7	Very high	6 Å²	6	47 Å²	47	3%	0.026	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-53.9	-41.7	-170.6	177.9	-114.4	0	0	0	113	Y19 D23 M26 T45 V64 S69 A71	Y19-F21 HydrophobicContact CE2-CB 4.39Å; Y19-F21 HydrophobicContact CE2-CD2 4.02Å; Y19-F21 PolarHBondContact O-N 3.42Å; F21-D23 PolarHBondContact O-N 3.39Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; F21-T45 HydrophobicContact CD1-CG2 4.37Å; F21-T45 HydrophobicContact CD2-CG2 4.34Å; F21-T45 HydrophobicContact CE1-CG2 3.85Å; F21-T45 HydrophobicContact CE2-CG2 3.79Å; F21-T45 HydrophobicContact CZ-CG2 3.52Å; F21-T45 PolarHBondContact O-OG1 2.93Å; F21-V64 HydrophobicContact CE1-CG2 3.47Å; F21-V64 VanDerWaalsContact CE1-CG2 3.47Å; F21-V64 HydrophobicContact CZ-CG2 3.94Å; F21-S69 VanDerWaalsContact CD1-CA 3.5Å; F21-A71 HydrophobicContact CZ-CB 4.17Å
22	T	92.9	Very high	93.3	Very high	44 Å²	44	42.3 Å²	42.3	27%	0.27	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-67.7	-14.7	-176.9	50.2	0	0	0	0	115	T20 Y24 T45 Y46 K66	T20-T22 PolarHBondContact O-N 2.82Å; T20-T22 VanDerWaalsContact O-N 3.17Å; T22-Y24 PolarHBondContact O-N 3.41Å; T22-T45 WeakPolarHBondContact CA-OG1 3.49Å; T22-T45 PolarHBondContact O-OG1 2.88Å; T22-Y46 WeakPolarHBondContact O-CB 3.42Å; T22-K66 HydrophobicContact CG2-CD 4.45Å; T22-K66 HydrophobicContact CG2-CG 4.36Å
23	D	90.8	Very high	92.4	Very high	90 Å²	90	49.4 Å²	49.4	48%	0.481	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-81.4	2	-176.5	-65.2	-8.1	0	0	0	112.6	T20 F21 Y93	T20-D23 WeakPolarHBondContact CB-OD2 3.29Å; T20-D23 HydrophobicContact CG2-CB 4.43Å; T20-D23 VanDerWaalsContact CG2-CG 3.47Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.1Å; T20-D23 VanDerWaalsContact CG2-OD2 3.29Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.35Å; T20-D23 PolarHBondContact O-N 2.87Å; T20-D23 VanDerWaalsContact O-N 3.1Å; F21-D23 PolarHBondContact O-N 3.39Å; D23-Y93 WeakPolarHBondContact O-CD2 3.42Å; D23-Y93 WeakPolarHBondContact O-CE2 3.34Å
24	Y	90.1	Very high	91.1	Very high	42 Å²	42	50 Å²	50	17%	0.165	30%	0.296	C	S	.	.	S	Bend	trans	-132.5	174	-170.6	-61.3	-75.2	0	0	0	112.9	Y19 T20 T22 T45 R90 E91 I92 Y93	Y19-Y24 AromaticContact CD2-CD2 3.38Å; Y19-Y24 HydrophobicContact CD2-CD2 3.38Å; Y19-Y24 AromaticContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CG 4.48Å; Y19-Y24 AromaticContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CE2 4.27Å; Y19-Y24 HydrophobicContact CE2-CG 4.46Å; Y19-Y24 HydrophobicContact CG-CD2 4.44Å; Y19-Y24 HydrophobicContact CG-CE2 4.22Å; T20-Y24 WeakPolarHBondContact O-CD2 3.42Å; T22-Y24 PolarHBondContact O-N 3.41Å; Y24-T45 WeakPolarHBondContact O-CB 3.21Å; Y24-T45 WeakPolarHBondContact O-CG2 3.47Å; Y24-T45 PolarHBondContact O-N 2.8Å; Y24-T45 VanDerWaalsContact O-N 3.13Å; Y24-T45 PolarHBondContact O-OG1 2.66Å; Y24-R90 HydrophobicContact CD1-CG 4.46Å; Y24-R90 HydrophobicContact CG-CG 4.09Å; Y24-E91 WeakPolarHBondContact CD1-O 3.29Å; Y24-I92 HydrophobicContact CE1-CB 4.42Å; Y24-I92 HydrophobicContact CE1-CG1 4.16Å; Y24-I92 HydrophobicContact CE1-CG2 4.37Å; Y24-Y93 HydrophobicContact CD1-CD2 4.44Å
25	A	92.6	Very high	89.7	Confident	2 Å²	2	57.8 Å²	57.8	2%	0.017	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155.2	165.4	0	0	0	0	0	111.1	I42 I43 E91	A25-I42 HydrophobicContact CB-CD1 3.5Å; A25-I42 VanDerWaalsContact CB-CD1 3.5Å; A25-I42 HydrophobicContact CB-CG1 3.73Å; A25-I43 WeakPolarHBondContact CA-O 3.49Å; A25-E91 HydrophobicContact CB-CB 4.13Å; A25-E91 WeakPolarHBondContact CB-OE2 3.23Å; A25-E91 PolarHBondContact O-N 3.28Å
26	M	95.3	Very high	89.2	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.1	176.7	-168.6	66.9	68.1	0	0	109.5	F21 I42 I43 T45 A71 C88	F21-M26 HydrophobicContact CE2-CE 3.91Å; M26-I42 CarbonylContact O-C 3.51Å; M26-I42 WeakPolarHBondContact O-CA 3.49Å; M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 2.73Å; M26-I43 PolarHBondContact O-N 3.42Å; M26-T45 HydrophobicContact CB-CG2 4.32Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.86Å; M26-C88 HydrophobicContact CG-CB 4.15Å; M26-C88 HydrophobicContact SD-CB 3.74Å
27	H	96.3	Very high	89.2	Confident	20 Å²	20	57.6 Å²	57.6	9%	0.093	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	153.3	171.9	-61.6	-112.3	0	0	0	111.3	W39 G41 I42 C88 A89 E91 F99	H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-NE1 3.19Å; H27-W39 PolarHBondContact ND1-NE1 2.88Å; H27-W39 VanDerWaalsContact ND1-NE1 3.19Å; H27-G41 CarbonylContact C-O 3.59Å; H27-G41 WeakPolarHBondContact CA-O 3.47Å; H27-I42 WeakPolarHBondContact CE1-CD1 3.45Å; H27-I42 VanDerWaalsContact NE2-CD1 3.35Å; H27-I42 WeakPolarHBondContact NE2-CD1 3.38Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 VanDerWaalsContact O-CA 3.22Å; H27-C88 WeakPolarHBondContact O-CA 3.33Å; H27-A89 PolarHBondContact N-O 3.31Å; H27-A89 PolarHBondContact O-N 2.89Å; H27-E91 IonicContact NE2-OE2 3.98Å; H27-F99 HydrophobicContact CB-CD1 4.06Å; H27-F99 HydrophobicContact CB-CE1 3.48Å; H27-F99 VanDerWaalsContact CB-CE1 3.48Å; H27-F99 AromaticContact CD2-CD1 3.86Å; H27-F99 AromaticContact CD2-CE1 3.6Å; H27-F99 AromaticContact CE1-CE1 3.79Å; H27-F99 AromaticContact CG-CD1 4Å; H27-F99 AromaticContact CG-CE1 3.34Å; H27-F99 AromaticContact ND1-CE1 3.47Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.3Å; H27-F99 AromaticContact NE2-CE1 3.87Å
28	W	97.4	Very high	89.4	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.4	176	-68.1	90.1	0	0	0	110.2	I12 C14 I40 G41 L62 A71 M73 Y87 C88	I12-W28 HydrophobicContact CB-CH2 4.33Å; I12-W28 HydrophobicContact CB-CZ3 4.06Å; I12-W28 HydrophobicContact CG2-CH2 4.11Å; I12-W28 HydrophobicContact CG2-CZ3 3.71Å; I12-W28 WeakPolarHBondContact O-CH2 3.46Å; C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-I40 HydrophobicContact CB-CB 4.12Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3.49Å; W28-I40 PolarHBondContact O-N 2.87Å; W28-G41 PolarHBondContact N-O 2.96Å; W28-L62 HydrophobicContact CB-CD2 4.49Å; W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 3.95Å; W28-A71 HydrophobicContact CZ2-CB 4.24Å; W28-M73 HydrophobicContact CB-SD 3.83Å; W28-M73 HydrophobicContact CD2-CB 3.58Å; W28-M73 HydrophobicContact CD2-CE 4.38Å; W28-M73 HydrophobicContact CD2-CG 4.36Å; W28-M73 HydrophobicContact CD2-SD 4.02Å; W28-M73 HydrophobicContact CE3-CB 3.73Å; W28-M73 HydrophobicContact CE3-CE 3.7Å; W28-M73 HydrophobicContact CE3-CG 4.47Å; W28-M73 HydrophobicContact CE3-SD 3.94Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 3.97Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 3.92Å; W28-M73 HydrophobicContact CZ3-CE 4.16Å; W28-Y87 WeakPolarHBondContact CA-O 3.46Å; W28-C88 HydrophobicContact CD2-CB 4.4Å; W28-C88 HydrophobicContact CE3-CB 4.17Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.1Å
29	V	96.3	Very high	89.7	Confident	4 Å²	4	54 Å²	54	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.9	-173.2	-175.9	0	0	0	0	109.7	L37 E38 Y86 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.93Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.46Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.05Å; V29-Y86 WeakPolarHBondContact O-CA 3.17Å; V29-Y87 PolarHBondContact N-O 3.39Å; V29-Y87 PolarHBondContact O-N 3.13Å; V29-W102 HydrophobicContact CB-CH2 4.08Å; V29-W102 HydrophobicContact CB-CZ3 3.86Å; V29-W102 HydrophobicContact CG1-CH2 4.06Å; V29-W102 HydrophobicContact CG1-CZ3 4.08Å; V29-W102 HydrophobicContact CG2-CH2 3.73Å; V29-W102 HydrophobicContact CG2-CZ3 3.9Å
30	K	95.6	Very high	90.2	Very high	14 Å²	14	51.4 Å²	51.4	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.7	172	-176.8	-177.1	179.6	-174.8	0	109.2	S32 E38 I40 F56 E81 D82 A84 Y86	K30-S32 WeakPolarHBondContact CE-OG 3.21Å; K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 3.08Å; K30-E38 PolarHBondContact O-N 3.24Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.19Å; K30-F56 HydrophobicContact CB-CZ 4.33Å; K30-F56 HydrophobicContact CD-CE1 4.09Å; K30-F56 HydrophobicContact CD-CZ 4.07Å; K30-E81 PolarHBondContact NZ-O 3.07Å; K30-D82 IonicContact NZ-OD1 3.88Å; K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.52Å; K30-Y86 HydrophobicContact CB-CD1 4.15Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 4.15Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å
31	Q	94.9	Very high	90.4	Very high	54 Å²	54	47.6 Å²	47.6	25%	0.252	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	101.2	167	-170.2	-179.7	45.3	0	0	109.4	L37 A84 I85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 3.89Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.29Å; Q31-I85 HydrophobicContact CB-CB 4.43Å; Q31-I85 PolarHBondContact N-O 3.43Å; Q31-I85 PolarHBondContact O-N 3.17Å; Q31-I85 VanDerWaalsContact O-N 3.13Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 2.88Å
32	S	88.5	Confident	90.6	Very high	22 Å²	22	48.7 Å²	48.7	15%	0.154	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	159	177.2	-60.1	0	0	0	0	110.7	K30 A34 K35 E38	K30-S32 WeakPolarHBondContact CE-OG 3.21Å; S32-A34 PolarHBondContact O-N 2.93Å; S32-K35 PolarHBondContact O-N 3.17Å; S32-E38 PolarHBondContact OG-OE2 2.81Å
33	H	77.1	Confident	90.8	Very high	157 Å²	157	46.7 Å²	46.7	73%	0.727	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-21.1	-178.5	-66.9	146	0	0	0	114.8	K35	H33-K35 PolarHBondContact O-N 2.88Å
34	A	70.8	Confident	91	Very high	88 Å²	88	43.5 Å²	43.5	73%	0.727	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	12	173.9	0	0	0	0	0	114.8	S32 S36	S32-A34 PolarHBondContact O-N 2.93Å; A34-S36 PolarHBondContact O-N 2.81Å; A34-S36 VanDerWaalsContact O-N 3.1Å
35	K	67.4	Low	91.3	Very high	178 Å²	178	41.6 Å²	41.6	77%	0.774	22%	0.218	S	C	*	.			trans	64	0.5	178.4	-59.5	-176.3	-179.9	179.7	0	117.1	S32 H33	S32-K35 PolarHBondContact O-N 3.17Å; H33-K35 PolarHBondContact O-N 2.88Å
36	S	85.3	Confident	91.4	Very high	61 Å²	61	49.3 Å²	49.3	43%	0.427	25%	0.248	S	C	.	.			trans	-73	129	171.8	60.1	0	0	0	0	110.8	A34	A34-S36 PolarHBondContact O-N 2.81Å; A34-S36 VanDerWaalsContact O-N 3.1Å
37	L	91.8	Very high	91.4	Very high	97 Å²	97	52 Å²	52	51%	0.508	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.7	168.8	-66.4	174.9	0	0	0	109.1	V29 Q31 W102	V29-L37 HydrophobicContact CG1-CB 3.93Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.46Å; Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 3.89Å; L37-W102 HydrophobicContact CD1-CH2 4.26Å
38	E	94.3	Very high	91.4	Very high	40 Å²	40	52.3 Å²	52.3	19%	0.187	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115	176.4	-65.9	-174.5	92.6	0	0	109.2	V29 K30 S32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.05Å; K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 3.08Å; K30-E38 PolarHBondContact O-N 3.24Å; S32-E38 PolarHBondContact OG-OE2 2.81Å; E38-I40 PolarHBondContact O-N 3.13Å; E38-K55 IonicContact OE1-NZ 2.86Å; E38-K55 PolarHBondContact OE1-NZ 3.08Å; E38-F56 HydrophobicContact CB-CE2 4.25Å; E38-F56 HydrophobicContact CB-CZ 4.27Å
39	W	95.1	Very high	91.3	Very high	76 Å²	76	57.7 Å²	57.7	29%	0.288	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	126.1	174.5	-179.7	72.5	0	0	0	110.3	H27 G41 I42 N53	H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-NE1 3.19Å; H27-W39 PolarHBondContact ND1-NE1 2.88Å; H27-W39 VanDerWaalsContact ND1-NE1 3.19Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 3.34Å; W39-I42 HydrophobicContact CH2-CG2 4.4Å; W39-I42 HydrophobicContact CZ2-CB 3.86Å; W39-I42 HydrophobicContact CZ2-CG2 3.79Å; W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 4.01Å; W39-N53 WeakPolarHBondContact O-CB 2.99Å; W39-N53 PolarHBondContact O-ND2 3.27Å
40	I	97.2	Very high	91.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-49.8	-177.9	-61.4	173.5	0	0	0	110	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.12Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3.49Å; W28-I40 PolarHBondContact O-N 2.87Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.19Å; E38-I40 PolarHBondContact O-N 3.13Å; I40-N53 PolarHBondContact O-N 2.91Å; I40-F56 HydrophobicContact CB-CD2 4.25Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.11Å; I40-F56 HydrophobicContact CG1-CD2 4.16Å; I40-F56 HydrophobicContact CG1-CE1 4.03Å; I40-F56 HydrophobicContact CG1-CE2 4.07Å; I40-F56 HydrophobicContact CG1-CG 4.18Å; I40-F56 HydrophobicContact CG1-CZ 4Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.84Å; I40-A60 HydrophobicContact CG2-CB 3.65Å; I40-M73 HydrophobicContact CD1-CE 4.04Å; I40-M73 HydrophobicContact CD1-SD 3.52Å; I40-M73 VanDerWaalsContact CD1-SD 3.52Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; I40-Y86 HydrophobicContact CD1-CD1 3.82Å; I40-Y86 HydrophobicContact CD1-CE1 3.97Å
41	G	96.9	Very high	91.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.1	179.2	-172.8	0	0	0	0	0	112.8	H27 W28 W39 N51	H27-G41 CarbonylContact C-O 3.59Å; H27-G41 WeakPolarHBondContact CA-O 3.47Å; W28-G41 PolarHBondContact N-O 2.96Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 3.34Å; G41-N51 CarbonylContact C-O 3.45Å; G41-N51 WeakPolarHBondContact CA-O 3.28Å
42	I	96.5	Very high	91.6	Very high	29 Å²	29	64.5 Å²	64.5	15%	0.149	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.5	177.5	-170.8	-176.1	0	0	0	108.9	A25 M26 H27 W39 T50 N51	A25-I42 HydrophobicContact CB-CD1 3.5Å; A25-I42 VanDerWaalsContact CB-CD1 3.5Å; A25-I42 HydrophobicContact CB-CG1 3.73Å; M26-I42 CarbonylContact O-C 3.51Å; M26-I42 WeakPolarHBondContact O-CA 3.49Å; H27-I42 WeakPolarHBondContact CE1-CD1 3.45Å; H27-I42 VanDerWaalsContact NE2-CD1 3.35Å; H27-I42 WeakPolarHBondContact NE2-CD1 3.38Å; W39-I42 HydrophobicContact CH2-CG2 4.4Å; W39-I42 HydrophobicContact CZ2-CB 3.86Å; W39-I42 HydrophobicContact CZ2-CG2 3.79Å; I42-T50 CarbonylContact O-C 3.57Å; I42-T50 VanDerWaalsContact O-CA 3.26Å; I42-T50 WeakPolarHBondContact O-CA 3.34Å; I42-N51 HydrophobicContact CG2-CB 3.77Å; I42-N51 PolarHBondContact N-O 2.8Å; I42-N51 PolarHBondContact O-N 3.49Å
43	I	97	Very high	91.9	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129	169	-175.6	166.2	0	0	0	110	A25 M26 T45 N49 T50 L62 V64 A71	A25-I43 WeakPolarHBondContact CA-O 3.49Å; M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 2.73Å; M26-I43 PolarHBondContact O-N 3.42Å; I43-T45 PolarHBondContact O-N 2.87Å; I43-N49 WeakPolarHBondContact CA-O 3.32Å; I43-T50 HydrophobicContact CB-CG2 4.11Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.91Å; I43-L62 HydrophobicContact CB-CB 4.1Å; I43-L62 HydrophobicContact CB-CD1 4.28Å; I43-L62 HydrophobicContact CD1-CB 4.18Å; I43-L62 HydrophobicContact CG2-CB 4.38Å; I43-V64 HydrophobicContact CD1-CB 4.01Å; I43-V64 HydrophobicContact CD1-CG1 4.09Å; I43-A71 HydrophobicContact CG2-CB 4.48Å
44	S	95.5	Very high	92.8	Very high	23 Å²	23	66.7 Å²	66.7	16%	0.161	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	123	167.4	175.6	0	0	0	0	108.8	Y46 S47 G48 N49	S44-Y46 PolarHBondContact O-N 2.81Å; S44-Y46 PolarHBondContact OG-N 3.1Å; S44-S47 VanDerWaalsContact CB-OG 3.26Å; S44-S47 WeakPolarHBondContact CB-OG 3.43Å; S44-S47 PolarHBondContact OG-N 2.82Å; S44-S47 PolarHBondContact OG-OG 3.25Å; S44-G48 WeakPolarHBondContact O-CA 3.45Å; S44-G48 PolarHBondContact O-N 2.89Å; S44-N49 PolarHBondContact N-O 3.1Å
45	T	95.1	Very high	93.9	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.006	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-19.1	178.7	67.3	0	0	0	0	112.1	F21 T22 Y24 M26 I43 K66	F21-T45 HydrophobicContact CD1-CG2 4.37Å; F21-T45 HydrophobicContact CD2-CG2 4.34Å; F21-T45 HydrophobicContact CE1-CG2 3.85Å; F21-T45 HydrophobicContact CE2-CG2 3.79Å; F21-T45 HydrophobicContact CZ-CG2 3.52Å; F21-T45 PolarHBondContact O-OG1 2.93Å; T22-T45 WeakPolarHBondContact CA-OG1 3.49Å; T22-T45 PolarHBondContact O-OG1 2.88Å; Y24-T45 WeakPolarHBondContact O-CB 3.21Å; Y24-T45 WeakPolarHBondContact O-CG2 3.47Å; Y24-T45 PolarHBondContact O-N 2.8Å; Y24-T45 VanDerWaalsContact O-N 3.13Å; Y24-T45 PolarHBondContact O-OG1 2.66Å; M26-T45 HydrophobicContact CB-CG2 4.32Å; I43-T45 PolarHBondContact O-N 2.87Å; T45-K66 WeakPolarHBondContact O-CE 3.38Å
46	Y	94.4	Very high	95.2	Very high	165 Å²	165	61.6 Å²	61.6	65%	0.647	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-59.8	172.3	-176.1	-112.2	0	0	0	112.5	T22 S44 K66	T22-Y46 WeakPolarHBondContact O-CB 3.42Å; S44-Y46 PolarHBondContact O-N 2.81Å; S44-Y46 PolarHBondContact OG-N 3.1Å; Y46-K66 WeakPolarHBondContact O-CE 3.39Å; Y46-K66 PolarHBondContact O-NZ 2.9Å
47	S	95.5	Very high	95.6	Very high	58 Å²	58	66.5 Å²	66.5	41%	0.406	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-19.3	-172	62	0	0	0	0	113.7	S44 N49	S44-S47 VanDerWaalsContact CB-OG 3.26Å; S44-S47 WeakPolarHBondContact CB-OG 3.43Å; S44-S47 PolarHBondContact OG-N 2.82Å; S44-S47 PolarHBondContact OG-OG 3.25Å; S47-N49 PolarHBondContact O-N 2.78Å; S47-N49 WeakPolarHBondContact OG-CB 3.4Å; S47-N49 PolarHBondContact OG-N 3.17Å; S47-N49 PolarHBondContact OG-ND2 3.27Å
48	G	95.9	Very high	95.7	Very high	27 Å²	27	65.6 Å²	65.6	28%	0.278	34%	0.341	S	S	.	.			trans	76.7	2	-170.1	0	0	0	0	0	113.6	S44 T50	S44-G48 WeakPolarHBondContact O-CA 3.45Å; S44-G48 PolarHBondContact O-N 2.89Å; G48-T50 PolarHBondContact O-N 2.79Å
49	N	96.6	Very high	95.8	Very high	116 Å²	116	65.6 Å²	65.6	62%	0.62	34%	0.341	S	S	*	.			trans	-65.1	135.4	178.5	-70.8	-11.7	0	0	0	110.7	I43 S44 S47	I43-N49 WeakPolarHBondContact CA-O 3.32Å; S44-N49 PolarHBondContact N-O 3.1Å; S47-N49 PolarHBondContact O-N 2.78Å; S47-N49 WeakPolarHBondContact OG-CB 3.4Å; S47-N49 PolarHBondContact OG-N 3.17Å; S47-N49 PolarHBondContact OG-ND2 3.27Å
50	T	97.6	Very high	95.9	Very high	59 Å²	59	62.2 Å²	62.2	36%	0.362	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.8	-176.8	58.4	0	0	0	0	111.8	I42 I43 G48 Y52 L62	I42-T50 CarbonylContact O-C 3.57Å; I42-T50 VanDerWaalsContact O-CA 3.26Å; I42-T50 WeakPolarHBondContact O-CA 3.34Å; I43-T50 HydrophobicContact CB-CG2 4.11Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.91Å; G48-T50 PolarHBondContact O-N 2.79Å; T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 VanDerWaalsContact OG1-CE2 3.27Å; T50-Y52 WeakPolarHBondContact OG1-CE2 2.99Å; T50-L62 HydrophobicContact CG2-CB 3.9Å
51	N	96.8	Very high	96	Very high	104 Å²	104	65.5 Å²	65.5	56%	0.556	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.7	164.7	-169.5	10.7	0	0	0	109.4	G41 I42	G41-N51 CarbonylContact C-O 3.45Å; G41-N51 WeakPolarHBondContact CA-O 3.28Å; I42-N51 HydrophobicContact CG2-CB 3.77Å; I42-N51 PolarHBondContact N-O 2.8Å; I42-N51 PolarHBondContact O-N 3.49Å
52	Y	97.5	Very high	96.1	Very high	52 Å²	52	65.9 Å²	65.9	20%	0.204	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.3	-171.4	-65	-89.1	0	0	0	111.2	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 VanDerWaalsContact OG1-CE2 3.27Å; T50-Y52 WeakPolarHBondContact OG1-CE2 2.99Å; Y52-A60 HydrophobicContact CE1-CB 4.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.22Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.02Å
53	N	96.1	Very high	96.1	Very high	47 Å²	47	67.4 Å²	67.4	25%	0.251	36%	0.362	S	S	.	.			trans	-68.3	137.5	158.1	-178.4	-28	0	0	0	109.3	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 4.01Å; W39-N53 WeakPolarHBondContact O-CB 2.99Å; W39-N53 PolarHBondContact O-ND2 3.27Å; I40-N53 PolarHBondContact O-N 2.91Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 VanDerWaalsContact O-N 3.13Å; N53-K55 PolarHBondContact OD1-N 3.46Å; N53-K55 VanDerWaalsContact OD1-N 3.07Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.81Å; N53-K57 PolarHBondContact O-N 2.85Å
54	Q	95.7	Very high	96.2	Very high	177 Å²	177	69.1 Å²	69.1	83%	0.827	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-53.7	-35	-178.4	-170	173.4	4.7	0	0	113	F56 K57	Q54-F56 PolarHBondContact O-N 2.78Å; Q54-K57 PolarHBondContact O-N 2.92Å
55	K	92.9	Very high	96.3	Very high	148 Å²	148	70.8 Å²	70.8	64%	0.643	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-60.2	-31.4	177.1	-68.3	-170.8	-175	-176	0	113.8	E38 N53	E38-K55 IonicContact OE1-NZ 2.86Å; E38-K55 PolarHBondContact OE1-NZ 3.08Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 VanDerWaalsContact O-N 3.13Å; N53-K55 PolarHBondContact OD1-N 3.46Å; N53-K55 VanDerWaalsContact OD1-N 3.07Å
56	F	95.1	Very high	96.3	Very high	12 Å²	12	75.8 Å²	75.8	5%	0.053	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-104.4	-1.8	-174.1	-63.8	-83.2	0	0	0	112.9	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.33Å; K30-F56 HydrophobicContact CD-CE1 4.09Å; K30-F56 HydrophobicContact CD-CZ 4.07Å; E38-F56 HydrophobicContact CB-CE2 4.25Å; E38-F56 HydrophobicContact CB-CZ 4.27Å; I40-F56 HydrophobicContact CB-CD2 4.25Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.11Å; I40-F56 HydrophobicContact CG1-CD2 4.16Å; I40-F56 HydrophobicContact CG1-CE1 4.03Å; I40-F56 HydrophobicContact CG1-CE2 4.07Å; I40-F56 HydrophobicContact CG1-CG 4.18Å; I40-F56 HydrophobicContact CG1-CZ 4Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.84Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.81Å; Q54-F56 PolarHBondContact O-N 2.78Å; F56-G58 PolarHBondContact O-N 2.8Å; F56-K59 WeakPolarHBondContact O-CB 3.47Å; F56-K59 PolarHBondContact O-N 2.84Å; F56-A60 HydrophobicContact CB-CB 4.31Å; F56-A60 PolarHBondContact O-N 3.38Å
57	K	94.5	Very high	96.3	Very high	163 Å²	163	73.2 Å²	73.2	71%	0.709	41%	0.407	S	S	*	.	B	Isolated β-bridge	trans	-63.5	123	176.6	-165.2	173.1	-175.5	176.8	0	109.6	N53 Q54 K59	N53-K57 PolarHBondContact O-N 2.85Å; Q54-K57 PolarHBondContact O-N 2.92Å; K57-K59 PolarHBondContact O-N 2.94Å
58	G	93.7	Very high	96.4	Very high	78 Å²	78	72.1 Å²	72.1	80%	0.804	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-9.7	-174.6	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 2.8Å
59	K	96.1	Very high	96.4	Very high	41 Å²	41	72.6 Å²	72.6	18%	0.178	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-45.4	171.1	-176.6	70.7	175.9	-170.3	0	111.5	F56 K57 L75 A76 R77 D82	F56-K59 WeakPolarHBondContact O-CB 3.47Å; F56-K59 PolarHBondContact O-N 2.84Å; K57-K59 PolarHBondContact O-N 2.94Å; K59-L75 HydrophobicContact CG-CD2 4.48Å; K59-L75 WeakPolarHBondContact O-CA 3.35Å; K59-A76 WeakPolarHBondContact CD-O 3.14Å; K59-A76 WeakPolarHBondContact CE-O 3.08Å; K59-A76 PolarHBondContact NZ-O 2.91Å; K59-A76 PolarHBondContact O-N 2.85Å; K59-R77 PolarHBondContact NZ-O 3.24Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD1 3.93Å; K59-D82 IonicContact NZ-OD2 2.66Å; K59-D82 PolarHBondContact NZ-OD2 2.97Å
60	A	97.8	Very high	96.5	Very high	4 Å²	4	67.5 Å²	67.5	3%	0.033	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.2	-179.1	0	0	0	0	0	111	I40 Y52 F56 M73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.65Å; Y52-A60 HydrophobicContact CE1-CB 4.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.22Å; F56-A60 HydrophobicContact CB-CB 4.31Å; F56-A60 PolarHBondContact O-N 3.38Å; A60-M73 HydrophobicContact CB-CG 4.45Å; A60-E74 CarbonylContact C-O 3.51Å; A60-E74 WeakPolarHBondContact CA-O 3.25Å; A60-L75 HydrophobicContact CB-CD2 3.98Å
61	T	98.4	Very high	96.5	Very high	69 Å²	69	64.7 Å²	64.7	42%	0.423	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	119.2	169.5	-60.4	0	0	0	0	108.8	T63 M73 E74	T61-T63 HydrophobicContact CG2-CG2 4.31Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; T61-E74 PolarHBondContact N-O 3.03Å; T61-E74 PolarHBondContact O-N 3.26Å
62	L	98.5	Very high	96.5	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.1	178.3	-51.9	-176.8	0	0	0	110.3	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CB-CD2 4.49Å; W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 3.95Å; I43-L62 HydrophobicContact CB-CB 4.1Å; I43-L62 HydrophobicContact CB-CD1 4.28Å; I43-L62 HydrophobicContact CD1-CB 4.18Å; I43-L62 HydrophobicContact CG2-CB 4.38Å; T50-L62 HydrophobicContact CG2-CB 3.9Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.02Å; L62-Y72 WeakPolarHBondContact CA-O 3.36Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.3Å
63	T	98.3	Very high	96.6	Very high	62 Å²	62	59.7 Å²	59.7	38%	0.38	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163.3	176.4	57.6	0	0	0	0	110.8	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.31Å; T63-Y72 PolarHBondContact N-O 2.83Å; T63-Y72 PolarHBondContact O-N 2.8Å
64	V	98	Very high	96.7	Very high	37 Å²	37	61.4 Å²	61.4	22%	0.224	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134	179.3	65.5	0	0	0	0	110.8	F21 I43	F21-V64 HydrophobicContact CE1-CG2 3.47Å; F21-V64 VanDerWaalsContact CE1-CG2 3.47Å; F21-V64 HydrophobicContact CZ-CG2 3.94Å; I43-V64 HydrophobicContact CD1-CB 4.01Å; I43-V64 HydrophobicContact CD1-CG1 4.09Å
65	D	97.4	Very high	96.7	Very high	58 Å²	58	53 Å²	53	31%	0.31	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	106	166.5	-178.2	-6.9	0	0	0	108.7	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.41Å; D65-S67 PolarHBondContact OD1-N 2.83Å; D65-S67 PolarHBondContact OD1-OG 3.4Å; D65-S68 PolarHBondContact OD1-N 2.86Å; D65-S68 PolarHBondContact OD2-OG 3.47Å; D65-S69 PolarHBondContact O-N 3.28Å; D65-S69 VanDerWaalsContact O-N 3.13Å; D65-T70 PolarHBondContact N-O 2.96Å; D65-T70 PolarHBondContact O-N 2.85Å; D65-Y72 HydrophobicContact CB-CE2 3.86Å
66	K	95.4	Very high	96.9	Very high	107 Å²	107	47.2 Å²	47.2	47%	0.465	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-31.8	-179.3	-61.9	175.8	-177.8	175.7	0	111.9	T22 T45 Y46 S68 S69	T22-K66 HydrophobicContact CG2-CD 4.45Å; T22-K66 HydrophobicContact CG2-CG 4.36Å; T45-K66 WeakPolarHBondContact O-CE 3.38Å; Y46-K66 WeakPolarHBondContact O-CE 3.39Å; Y46-K66 PolarHBondContact O-NZ 2.9Å; K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 3.45Å; K66-S69 PolarHBondContact O-N 2.86Å
67	S	94.9	Very high	97	Very high	111 Å²	111	56 Å²	56	78%	0.776	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-38.2	-177	73.9	0	0	0	0	111.4	D65	D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.41Å; D65-S67 PolarHBondContact OD1-N 2.83Å; D65-S67 PolarHBondContact OD1-OG 3.4Å
68	S	96.6	Very high	97	Very high	34 Å²	34	48.3 Å²	48.3	24%	0.238	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.5	177.3	77.1	0	0	0	0	113.7	K15 D65 K66 T70	K15-S68 WeakPolarHBondContact CE-O 3.17Å; D65-S68 PolarHBondContact OD1-N 2.86Å; D65-S68 PolarHBondContact OD2-OG 3.47Å; K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 3.45Å; S68-T70 VanDerWaalsContact C-N 3.31Å; S68-T70 PolarHBondContact O-N 2.86Å; S68-T70 PolarHBondContact O-OG1 3.27Å; S68-T70 WeakPolarHBondContact OG-CB 3.39Å; S68-T70 PolarHBondContact OG-N 3.33Å; S68-T70 PolarHBondContact OG-OG1 2.63Å
69	S	96.7	Very high	97	Very high	38 Å²	38	47.3 Å²	47.3	27%	0.266	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	44.5	-170.1	-62.1	0	0	0	0	112.9	K15 G16 F21 D65 K66	K15-S69 WeakPolarHBondContact CA-O 3.49Å; G16-S69 PolarHBondContact N-O 2.91Å; F21-S69 VanDerWaalsContact CD1-CA 3.5Å; D65-S69 PolarHBondContact O-N 3.28Å; D65-S69 VanDerWaalsContact O-N 3.13Å; K66-S69 PolarHBondContact O-N 2.86Å
70	T	97.8	Very high	96.8	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.8	-175.7	-50.2	0	0	0	0	111.3	C14 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.27Å; D65-T70 PolarHBondContact N-O 2.96Å; D65-T70 PolarHBondContact O-N 2.85Å; S68-T70 VanDerWaalsContact C-N 3.31Å; S68-T70 PolarHBondContact O-N 2.86Å; S68-T70 PolarHBondContact O-OG1 3.27Å; S68-T70 WeakPolarHBondContact OG-CB 3.39Å; S68-T70 PolarHBondContact OG-N 3.33Å; S68-T70 PolarHBondContact OG-OG1 2.63Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å
71	A	97.8	Very high	96.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	146.8	165	0	0	0	0	0	109.8	S13 C14 F21 M26 W28 I43	S13-A71 CarbonylContact C-O 3.53Å; C14-A71 PolarHBondContact N-O 3.13Å; C14-A71 PolarHBondContact O-N 2.91Å; F21-A71 HydrophobicContact CZ-CB 4.17Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.86Å; W28-A71 HydrophobicContact CZ2-CB 4.24Å; I43-A71 HydrophobicContact CG2-CB 4.48Å
72	Y	98.3	Very high	96.2	Very high	51 Å²	51	54 Å²	54	20%	0.2	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.6	176.2	-54.5	-91.1	0	0	0	111.1	K11 I12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.4Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.35Å; I12-Y72 CarbonylContact O-C 3.6Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.23Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å; L62-Y72 WeakPolarHBondContact CA-O 3.36Å; T63-Y72 PolarHBondContact N-O 2.83Å; T63-Y72 PolarHBondContact O-N 2.8Å; D65-Y72 HydrophobicContact CB-CE2 3.86Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å
73	M	98.2	Very high	96	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.7	166.8	175.3	-179	69.3	0	0	108.5	K11 I12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.06Å; I12-M73 HydrophobicContact CD1-CE 3.78Å; I12-M73 HydrophobicContact CG1-CE 4.43Å; I12-M73 PolarHBondContact N-O 3.02Å; I12-M73 PolarHBondContact O-N 3.12Å; W28-M73 HydrophobicContact CB-SD 3.83Å; W28-M73 HydrophobicContact CD2-CB 3.58Å; W28-M73 HydrophobicContact CD2-CE 4.38Å; W28-M73 HydrophobicContact CD2-CG 4.36Å; W28-M73 HydrophobicContact CD2-SD 4.02Å; W28-M73 HydrophobicContact CE3-CB 3.73Å; W28-M73 HydrophobicContact CE3-CE 3.7Å; W28-M73 HydrophobicContact CE3-CG 4.47Å; W28-M73 HydrophobicContact CE3-SD 3.94Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 3.97Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 3.92Å; W28-M73 HydrophobicContact CZ3-CE 4.16Å; I40-M73 HydrophobicContact CD1-CE 4.04Å; I40-M73 HydrophobicContact CD1-SD 3.52Å; I40-M73 VanDerWaalsContact CD1-SD 3.52Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; A60-M73 HydrophobicContact CB-CG 4.45Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.3Å; M73-L75 HydrophobicContact CE-CD1 3.8Å; M73-L75 HydrophobicContact CE-CD2 4.37Å; M73-L75 HydrophobicContact CE-CG 4.04Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 4.15Å; M73-L75 HydrophobicContact SD-CG 4.33Å; M73-Y86 HydrophobicContact CE-CD1 3.62Å; M73-Y86 HydrophobicContact CE-CE1 4.26Å; M73-Y86 HydrophobicContact CE-CG 4.06Å
74	E	98.2	Very high	95.9	Very high	82 Å²	82	51.2 Å²	51.2	38%	0.383	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.3	169.7	-172.7	176.5	174.9	0	0	109.8	V10 A60 T61	V10-E74 CarbonylContact O-C 3.59Å; V10-E74 VanDerWaalsContact O-CA 3.3Å; V10-E74 WeakPolarHBondContact O-CA 3.2Å; A60-E74 CarbonylContact C-O 3.51Å; A60-E74 WeakPolarHBondContact CA-O 3.25Å; T61-E74 PolarHBondContact N-O 3.03Å; T61-E74 PolarHBondContact O-N 3.26Å
75	L	97.1	Very high	95.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.4	176	-67.8	165.4	0	0	0	108.8	S9 V10 I12 K59 A60 M73 M78 Y86	S9-L75 CarbonylContact C-O 3.5Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; V10-L75 PolarHBondContact N-O 2.95Å; V10-L75 PolarHBondContact O-N 2.88Å; I12-L75 HydrophobicContact CD1-CD1 4.37Å; K59-L75 HydrophobicContact CG-CD2 4.48Å; K59-L75 WeakPolarHBondContact O-CA 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.98Å; M73-L75 HydrophobicContact CE-CD1 3.8Å; M73-L75 HydrophobicContact CE-CD2 4.37Å; M73-L75 HydrophobicContact CE-CG 4.04Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 4.15Å; M73-L75 HydrophobicContact SD-CG 4.33Å; L75-M78 HydrophobicContact CB-SD 3.49Å; L75-M78 WeakPolarHBondContact CB-SD 3.39Å; L75-M78 HydrophobicContact CD1-CE 4.34Å; L75-M78 HydrophobicContact CD1-SD 4.08Å; L75-M78 HydrophobicContact CG-SD 4.42Å; L75-Y86 HydrophobicContact CD1-CD1 4.01Å; L75-Y86 HydrophobicContact CD1-CD2 4.42Å; L75-Y86 HydrophobicContact CD1-CE1 3.44Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.44Å; L75-Y86 HydrophobicContact CD1-CE2 3.92Å; L75-Y86 HydrophobicContact CD1-CG 4.44Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.44Å
76	A	96.9	Very high	95.8	Very high	28 Å²	28	49.2 Å²	49.2	23%	0.231	26%	0.26	C	S	.	.			trans	-85	147.3	-177	0	0	0	0	0	112.3	K59 M78	K59-A76 WeakPolarHBondContact CD-O 3.14Å; K59-A76 WeakPolarHBondContact CE-O 3.08Å; K59-A76 PolarHBondContact NZ-O 2.91Å; K59-A76 PolarHBondContact O-N 2.85Å; A76-M78 PolarHBondContact O-N 3.13Å
77	R	95.4	Very high	95.8	Very high	197 Å²	197	46.1 Å²	46.1	74%	0.743	25%	0.245	S	C	*	.	S	Bend	trans	51.3	56	168.6	-57.4	178.3	-178.7	168.3	0.2	112.9	V8 K59	V8-R77 PolarHBondContact O-N 2.95Å; K59-R77 PolarHBondContact NZ-O 3.24Å
78	M	95.1	Very high	95.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.			trans	-55.5	136.9	-175.9	-68	-64.7	-75.4	0	0	112.3	V4 P6 G7 V8 V10 L75 A76 D82 V108 V110	V4-M78 HydrophobicContact CG2-CB 4.5Å; P6-M78 CarbonylContact C-O 3.58Å; P6-M78 WeakPolarHBondContact CA-O 3.17Å; G7-M78 PolarHBondContact N-O 2.86Å; V8-M78 WeakPolarHBondContact O-CB 3.33Å; V8-M78 VanDerWaalsContact O-CG 3.29Å; V8-M78 WeakPolarHBondContact O-CG 3.19Å; V8-M78 PolarHBondContact O-N 3.37Å; V10-M78 HydrophobicContact CB-CG 4.3Å; V10-M78 HydrophobicContact CG2-CG 3.84Å; L75-M78 HydrophobicContact CB-SD 3.49Å; L75-M78 WeakPolarHBondContact CB-SD 3.39Å; L75-M78 HydrophobicContact CD1-CE 4.34Å; L75-M78 HydrophobicContact CD1-SD 4.08Å; L75-M78 HydrophobicContact CG-SD 4.42Å; A76-M78 PolarHBondContact O-N 3.13Å; M78-D82 HydrophobicContact CE-CB 3.54Å; M78-D82 HydrophobicContact SD-CB 3.95Å; M78-V108 HydrophobicContact CE-CG1 3.82Å; M78-V110 HydrophobicContact CB-CG1 4.49Å; M78-V110 HydrophobicContact CB-CG2 3.92Å; M78-V110 HydrophobicContact CE-CG2 3.89Å
79	T	94.4	Very high	95.8	Very high	58 Å²	58	39.9 Å²	39.9	36%	0.356	20%	0.202	S	C	.	.			trans	-119.6	168.8	174.5	68.6	0	0	0	0	110.6	E81 D82 V110	T79-E81 PolarHBondContact O-N 2.79Å; T79-D82 PolarHBondContact N-OD2 2.97Å; T79-D82 WeakPolarHBondContact O-CB 3.21Å; T79-D82 PolarHBondContact O-N 2.87Å; T79-D82 PolarHBondContact OG1-OD2 3.47Å; T79-V110 WeakPolarHBondContact O-CB 3.26Å; T79-V110 VanDerWaalsContact O-CG2 3.23Å; T79-V110 WeakPolarHBondContact O-CG2 3.33Å
80	S	92.1	Very high	95.5	Very high	80 Å²	80	39.4 Å²	39.4	56%	0.559	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-54	-35.3	176.1	50.2	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 3Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.26Å; S80-S83 PolarHBondContact O-N 3.19Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 3.13Å
81	E	90.9	Very high	94.9	Very high	160 Å²	160	41.3 Å²	41.3	75%	0.748	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-68	-18.2	177	-60.8	179	176.7	0	0	113.8	K30 T79 S83	K30-E81 PolarHBondContact NZ-O 3.07Å; T79-E81 PolarHBondContact O-N 2.79Å; E81-S83 VanDerWaalsContact C-N 3.28Å
82	D	92.9	Very high	93.8	Very high	14 Å²	14	43.3 Å²	43.3	8%	0.075	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-81.6	-7.3	173.9	-63.6	-49.7	0	0	0	112.7	K30 K59 M78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.88Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD1 3.93Å; K59-D82 IonicContact NZ-OD2 2.66Å; K59-D82 PolarHBondContact NZ-OD2 2.97Å; M78-D82 HydrophobicContact CE-CB 3.54Å; M78-D82 HydrophobicContact SD-CB 3.95Å; T79-D82 PolarHBondContact N-OD2 2.97Å; T79-D82 WeakPolarHBondContact O-CB 3.21Å; T79-D82 PolarHBondContact O-N 2.87Å; T79-D82 PolarHBondContact OG1-OD2 3.47Å; S80-D82 PolarHBondContact O-N 3Å; D82-A84 PolarHBondContact O-N 2.82Å; D82-A84 VanDerWaalsContact O-N 3.08Å; D82-Y86 PolarHBondContact O-OH 3.44Å
83	S	94.6	Very high	92.2	Very high	11 Å²	11	46.9 Å²	46.9	8%	0.077	23%	0.226	C	C	.	.			trans	-61.5	115.7	174.8	-57.4	0	0	0	0	110.6	S80 E81 V108 V110	S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.26Å; S80-S83 PolarHBondContact O-N 3.19Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 3.13Å; E81-S83 VanDerWaalsContact C-N 3.28Å; S83-V108 WeakPolarHBondContact CA-O 3.32Å; S83-V110 PolarHBondContact OG-N 3.36Å
84	A	95.4	Very high	90.2	Very high	1 Å²	1	56 Å²	56	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	171.4	-171.2	0	0	0	0	0	111.1	K30 Q31 D82 Y86 V108	K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.52Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.29Å; D82-A84 PolarHBondContact O-N 2.82Å; D82-A84 VanDerWaalsContact O-N 3.08Å; A84-Y86 HydrophobicContact CB-CE2 4.01Å; A84-V108 PolarHBondContact N-O 3.45Å; A84-V108 VanDerWaalsContact N-O 3.08Å; A84-V108 PolarHBondContact O-N 3.49Å
85	I	96.2	Very high	88	Confident	51 Å²	51	60.5 Å²	60.5	26%	0.262	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.5	163	-51.5	174.1	0	0	0	108.3	Q31 Y87 T106 L107	Q31-I85 HydrophobicContact CB-CB 4.43Å; Q31-I85 PolarHBondContact N-O 3.43Å; Q31-I85 PolarHBondContact O-N 3.17Å; Q31-I85 VanDerWaalsContact O-N 3.13Å; I85-Y87 HydrophobicContact CB-CE2 3.78Å; I85-Y87 HydrophobicContact CG2-CD2 4.16Å; I85-Y87 HydrophobicContact CG2-CE1 3.98Å; I85-Y87 HydrophobicContact CG2-CE2 3.46Å; I85-Y87 VanDerWaalsContact CG2-CE2 3.46Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.46Å; I85-T106 WeakPolarHBondContact CA-O 3.25Å; I85-L107 HydrophobicContact CG1-CB 4.37Å; I85-L107 HydrophobicContact CG1-CD1 3.98Å
86	Y	96.8	Very high	85.9	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.8	178.4	-67.6	-84.1	0	0	0	110.7	I12 V29 K30 I40 M73 L75 D82 A84 G105 T106 V108	I12-Y86 HydrophobicContact CD1-CD1 4.48Å; I12-Y86 HydrophobicContact CD1-CD2 3.77Å; I12-Y86 HydrophobicContact CD1-CG 3.67Å; V29-Y86 WeakPolarHBondContact O-CA 3.17Å; K30-Y86 HydrophobicContact CB-CD1 4.15Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 4.15Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; I40-Y86 HydrophobicContact CD1-CD1 3.82Å; I40-Y86 HydrophobicContact CD1-CE1 3.97Å; M73-Y86 HydrophobicContact CE-CD1 3.62Å; M73-Y86 HydrophobicContact CE-CE1 4.26Å; M73-Y86 HydrophobicContact CE-CG 4.06Å; L75-Y86 HydrophobicContact CD1-CD1 4.01Å; L75-Y86 HydrophobicContact CD1-CD2 4.42Å; L75-Y86 HydrophobicContact CD1-CE1 3.44Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.44Å; L75-Y86 HydrophobicContact CD1-CE2 3.92Å; L75-Y86 HydrophobicContact CD1-CG 4.44Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.44Å; D82-Y86 PolarHBondContact O-OH 3.44Å; A84-Y86 HydrophobicContact CB-CE2 4.01Å; Y86-G105 CarbonylContact O-C 3.49Å; Y86-G105 VanDerWaalsContact O-CA 3.28Å; Y86-G105 WeakPolarHBondContact O-CA 3.35Å; Y86-T106 PolarHBondContact N-O 3.41Å; Y86-T106 PolarHBondContact O-N 3.21Å; Y86-V108 HydrophobicContact CD2-CB 4.15Å; Y86-V108 HydrophobicContact CD2-CG2 3.88Å; Y86-V108 HydrophobicContact CE2-CB 4.02Å; Y86-V108 HydrophobicContact CE2-CG2 4.19Å
87	Y	96.3	Very high	83.9	Confident	41 Å²	41	70.8 Å²	70.8	16%	0.161	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	146.1	-178.7	-62.6	-85.8	0	0	0	110.7	W28 V29 Q31 I85 W102 G103 G105	W28-Y87 WeakPolarHBondContact CA-O 3.46Å; V29-Y87 PolarHBondContact N-O 3.39Å; V29-Y87 PolarHBondContact O-N 3.13Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 2.88Å; I85-Y87 HydrophobicContact CB-CE2 3.78Å; I85-Y87 HydrophobicContact CG2-CD2 4.16Å; I85-Y87 HydrophobicContact CG2-CE1 3.98Å; I85-Y87 HydrophobicContact CG2-CE2 3.46Å; I85-Y87 VanDerWaalsContact CG2-CE2 3.46Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.46Å; Y87-W102 HydrophobicContact CD1-CE3 4.27Å; Y87-W102 HydrophobicContact CD2-CZ3 4.49Å; Y87-W102 AromaticContact CG-CE3 3.97Å; Y87-W102 HydrophobicContact CG-CE3 3.97Å; Y87-W102 HydrophobicContact CG-CZ3 4.13Å; Y87-G103 WeakPolarHBondContact CD1-O 2.96Å; Y87-G105 VanDerWaalsContact CD1-CA 3.4Å; Y87-G105 VanDerWaalsContact CE1-CA 3.48Å
88	C	96	Very high	82.1	Confident	14 Å²	14	70.9 Å²	70.9	10%	0.095	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	148.2	159.4	62.4	0	0	0	0	109.5	C14 M26 H27 W28 G103	C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.32Å; M26-C88 HydrophobicContact CG-CB 4.15Å; M26-C88 HydrophobicContact SD-CB 3.74Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 VanDerWaalsContact O-CA 3.22Å; H27-C88 WeakPolarHBondContact O-CA 3.33Å; W28-C88 HydrophobicContact CD2-CB 4.4Å; W28-C88 HydrophobicContact CE3-CB 4.17Å; W28-C88 HydrophobicContact CH2-CB 4.26Å; W28-C88 HydrophobicContact CZ2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.1Å; C88-G103 PolarHBondContact O-N 2.65Å
89	A	94.3	Very high	80.6	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.008	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	134.9	177.3	0	0	0	0	0	111.5	H27 F99 Y101 W102	H27-A89 PolarHBondContact N-O 3.31Å; H27-A89 PolarHBondContact O-N 2.89Å; A89-F99 HydrophobicContact CB-CB 4.02Å; A89-F99 HydrophobicContact CB-CD1 3.59Å; A89-F99 HydrophobicContact CB-CE1 4.41Å; A89-F99 HydrophobicContact CB-CG 4.11Å; A89-Y101 CarbonylContact C-O 3.53Å; A89-Y101 VanDerWaalsContact CA-O 3.25Å; A89-Y101 WeakPolarHBondContact CA-O 3.38Å; A89-W102 HydrophobicContact CB-CD2 3.87Å; A89-W102 HydrophobicContact CB-CE3 4.2Å; A89-W102 HydrophobicContact CB-CG 4.2Å; A89-W102 HydrophobicContact CB-CZ2 4.34Å
90	R	91.2	Very high	79.4	Confident	28 Å²	28	74.1 Å²	74.1	11%	0.106	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128	179.3	-168.9	-174.7	76.5	-173.3	7	110.7	Y19 Y24 A100 Y101	Y19-R90 VanDerWaalsContact CE2-CD 3.42Å; Y19-R90 HydrophobicContact CE2-CG 4.32Å; Y24-R90 HydrophobicContact CD1-CG 4.46Å; Y24-R90 HydrophobicContact CG-CG 4.09Å; R90-A100 PolarHBondContact O-N 2.87Å; R90-A100 VanDerWaalsContact O-N 3.13Å; R90-Y101 VanDerWaalsContact CZ-CD2 3.45Å; R90-Y101 PolarHBondContact N-O 3.49Å
91	E	84.6	Confident	79	Confident	49 Å²	49	77.3 Å²	77.3	23%	0.229	35%	0.354	C	S	.	.			trans	-75	147.8	167.6	-166.8	173.1	-152	0	0	110.4	Y24 A25 H27 Y93	Y24-E91 WeakPolarHBondContact CD1-O 3.29Å; A25-E91 HydrophobicContact CB-CB 4.13Å; A25-E91 WeakPolarHBondContact CB-OE2 3.23Å; A25-E91 PolarHBondContact O-N 3.28Å; H27-E91 IonicContact NE2-OE2 3.98Å; E91-Y93 PolarHBondContact OE2-OH 3.26Å
92	I	74.9	Confident	79	Confident	42 Å²	42	74.9 Å²	74.9	22%	0.215	34%	0.338	C	S	.	.			trans	-118.8	127.6	167.4	-63.9	-174.9	0	0	0	108.7	Y24 Y94 A100 Y101	Y24-I92 HydrophobicContact CE1-CB 4.42Å; Y24-I92 HydrophobicContact CE1-CG1 4.16Å; Y24-I92 HydrophobicContact CE1-CG2 4.37Å; I92-Y94 VanDerWaalsContact C-N 3.35Å; I92-Y94 HydrophobicContact CG2-CD2 4.38Å; I92-Y94 PolarHBondContact O-N 3.1Å; I92-A100 HydrophobicContact CB-CB 4.37Å; I92-A100 HydrophobicContact CD1-CB 3.07Å; I92-A100 HydrophobicContact CG1-CB 3.46Å; I92-A100 VanDerWaalsContact CG1-CB 3.46Å; I92-Y101 HydrophobicContact CD1-CD2 4.3Å; I92-Y101 HydrophobicContact CD1-CE2 3.93Å
93	Y	65.3	Low	79	Confident	125 Å²	125	75.5 Å²	75.5	49%	0.49	35%	0.348	S	S	.	.			trans	-79.4	-6.1	-175.2	-75.1	-67	0	0	0	115.5	D23 Y24 E91 E95	D23-Y93 WeakPolarHBondContact O-CD2 3.42Å; D23-Y93 WeakPolarHBondContact O-CE2 3.34Å; Y24-Y93 HydrophobicContact CD1-CD2 4.44Å; E91-Y93 PolarHBondContact OE2-OH 3.26Å; Y93-E95 PolarHBondContact O-N 2.56Å
94	Y	56.5	Low	78.9	Confident	193 Å²	193	84.6 Å²	84.6	76%	0.757	39%	0.39	S	S	*	.	S	Bend	trans	-90.1	101.6	-178.1	-66.6	-75.4	0	0	0	111.9	I92 Y96	I92-Y94 VanDerWaalsContact C-N 3.35Å; I92-Y94 HydrophobicContact CG2-CD2 4.38Å; I92-Y94 PolarHBondContact O-N 3.1Å; Y94-Y96 VanDerWaalsContact C-N 3.26Å; Y94-Y96 PolarHBondContact O-N 2.74Å
95	E	50.5	Low	78.9	Confident	175 Å²	175	85.8 Å²	85.8	82%	0.818	40%	0.402	S	S	*	.	S	Bend	trans	56.1	-16.9	159.8	-105.3	-179.4	166.9	0	0	121.5	Y93	Y93-E95 PolarHBondContact O-N 2.56Å
96	Y	52.8	Low	78.8	Confident	185 Å²	185	85.6 Å²	85.6	73%	0.725	40%	0.403	S	S	*	.	S	Bend	trans	-141.5	92.9	174.6	-68.3	-82.1	0	0	0	110.1	Y94 W98	Y94-Y96 VanDerWaalsContact C-N 3.26Å; Y94-Y96 PolarHBondContact O-N 2.74Å; Y96-W98 VanDerWaalsContact O-CD1 3.27Å; Y96-W98 PolarHBondContact O-N 3.37Å
97	G	55.6	Low	78.8	Confident	59 Å²	59	88.6 Å²	88.6	61%	0.608	42%	0.419	S	S	*	.			trans	-57.5	101.3	-178.8	0	0	0	0	0	112.8
98	W	57.3	Low	78.7	Confident	200 Å²	200	86.6 Å²	86.6	76%	0.758	41%	0.412	S	S	*	.			trans	-144.9	144.8	168.5	-59	89.5	0	0	0	108.9	Y96 A100	Y96-W98 VanDerWaalsContact O-CD1 3.27Å; Y96-W98 PolarHBondContact O-N 3.37Å; W98-A100 VanDerWaalsContact C-N 3.33Å; W98-A100 PolarHBondContact O-N 2.94Å
99	F	63.4	Low	78.7	Confident	82 Å²	82	88.4 Å²	88.4	36%	0.36	42%	0.422	S	S	.	.			trans	-57.8	92.6	171	-60.5	-73.6	0	0	0	109.9	H27 A89 Y101 W102	H27-F99 HydrophobicContact CB-CD1 4.06Å; H27-F99 HydrophobicContact CB-CE1 3.48Å; H27-F99 VanDerWaalsContact CB-CE1 3.48Å; H27-F99 AromaticContact CD2-CD1 3.86Å; H27-F99 AromaticContact CD2-CE1 3.6Å; H27-F99 AromaticContact CE1-CE1 3.79Å; H27-F99 AromaticContact CG-CD1 4Å; H27-F99 AromaticContact CG-CE1 3.34Å; H27-F99 AromaticContact ND1-CE1 3.47Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.3Å; H27-F99 AromaticContact NE2-CE1 3.87Å; A89-F99 HydrophobicContact CB-CB 4.02Å; A89-F99 HydrophobicContact CB-CD1 3.59Å; A89-F99 HydrophobicContact CB-CE1 4.41Å; A89-F99 HydrophobicContact CB-CG 4.11Å; F99-Y101 PolarHBondContact O-N 2.98Å; F99-W102 HydrophobicContact CB-CZ2 3.93Å; F99-W102 VanDerWaalsContact CB-NE1 3.29Å; F99-W102 AromaticContact CD2-CZ2 3.82Å; F99-W102 HydrophobicContact CD2-CZ2 3.82Å; F99-W102 HydrophobicContact CE2-CZ2 4.46Å; F99-W102 AromaticContact CG-CZ2 3.86Å; F99-W102 HydrophobicContact CG-CZ2 3.86Å; F99-W102 PolarHBondContact O-NE1 2.98Å
100	A	69	Low	78.6	Confident	43 Å²	43	88.8 Å²	88.8	36%	0.355	42%	0.424	S	S	.	.			trans	-76.9	-27.5	-166.8	0	0	0	0	0	112.9	R90 I92 W98	R90-A100 PolarHBondContact O-N 2.87Å; R90-A100 VanDerWaalsContact O-N 3.13Å; I92-A100 HydrophobicContact CB-CB 4.37Å; I92-A100 HydrophobicContact CD1-CB 3.07Å; I92-A100 HydrophobicContact CG1-CB 3.46Å; I92-A100 VanDerWaalsContact CG1-CB 3.46Å; W98-A100 VanDerWaalsContact C-N 3.33Å; W98-A100 PolarHBondContact O-N 2.94Å
101	Y	84.8	Confident	78.6	Confident	148 Å²	148	89.8 Å²	89.8	58%	0.58	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	124.4	-178.2	-63.9	-87.1	0	0	0	110.2	A89 R90 I92 F99	A89-Y101 CarbonylContact C-O 3.53Å; A89-Y101 VanDerWaalsContact CA-O 3.25Å; A89-Y101 WeakPolarHBondContact CA-O 3.38Å; R90-Y101 VanDerWaalsContact CZ-CD2 3.45Å; R90-Y101 PolarHBondContact N-O 3.49Å; I92-Y101 HydrophobicContact CD1-CD2 4.3Å; I92-Y101 HydrophobicContact CD1-CE2 3.93Å; F99-Y101 PolarHBondContact O-N 2.98Å
102	W	91.6	Very high	78.1	Confident	108 Å²	108	96.4 Å²	96.4	41%	0.409	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.4	176.7	-70.1	70.8	0	0	0	110.2	V29 L37 Y87 A89 F99	V29-W102 HydrophobicContact CB-CH2 4.08Å; V29-W102 HydrophobicContact CB-CZ3 3.86Å; V29-W102 HydrophobicContact CG1-CH2 4.06Å; V29-W102 HydrophobicContact CG1-CZ3 4.08Å; V29-W102 HydrophobicContact CG2-CH2 3.73Å; V29-W102 HydrophobicContact CG2-CZ3 3.9Å; L37-W102 HydrophobicContact CD1-CH2 4.26Å; Y87-W102 HydrophobicContact CD1-CE3 4.27Å; Y87-W102 HydrophobicContact CD2-CZ3 4.49Å; Y87-W102 AromaticContact CG-CE3 3.97Å; Y87-W102 HydrophobicContact CG-CE3 3.97Å; Y87-W102 HydrophobicContact CG-CZ3 4.13Å; A89-W102 HydrophobicContact CB-CD2 3.87Å; A89-W102 HydrophobicContact CB-CE3 4.2Å; A89-W102 HydrophobicContact CB-CG 4.2Å; A89-W102 HydrophobicContact CB-CZ2 4.34Å; F99-W102 HydrophobicContact CB-CZ2 3.93Å; F99-W102 VanDerWaalsContact CB-NE1 3.29Å; F99-W102 AromaticContact CD2-CZ2 3.82Å; F99-W102 HydrophobicContact CD2-CZ2 3.82Å; F99-W102 HydrophobicContact CE2-CZ2 4.46Å; F99-W102 AromaticContact CG-CZ2 3.86Å; F99-W102 HydrophobicContact CG-CZ2 3.86Å; F99-W102 PolarHBondContact O-NE1 2.98Å
103	G	92.4	Very high	78.2	Confident	28 Å²	28	99.2 Å²	99.2	29%	0.289	49%	0.492	S	S	.	.			trans	-67.5	164.2	165.5	0	0	0	0	0	111.3	Y87 C88 G105	Y87-G103 WeakPolarHBondContact CD1-O 2.96Å; C88-G103 PolarHBondContact O-N 2.65Å; G103-G105 PolarHBondContact O-N 3.45Å; G103-G105 VanDerWaalsContact O-N 3.1Å
104	Q	92.9	Very high	78.9	Confident	201 Å²	201	97.8 Å²	97.8	94%	0.939	49%	0.492	S	S	*	.			trans	-63.3	-17.5	-179.8	-68.9	-177.7	-28.7	0	0	114
105	G	93.8	Very high	80.1	Confident	27 Å²	27	92.5 Å²	92.5	28%	0.278	48%	0.478	S	S	.	.			trans	88.3	147.9	-177	0	0	0	0	0	112.6	Y86 Y87 G103	Y86-G105 CarbonylContact O-C 3.49Å; Y86-G105 VanDerWaalsContact O-CA 3.28Å; Y86-G105 WeakPolarHBondContact O-CA 3.35Å; Y87-G105 VanDerWaalsContact CD1-CA 3.4Å; Y87-G105 VanDerWaalsContact CE1-CA 3.48Å; G103-G105 PolarHBondContact O-N 3.45Å; G103-G105 VanDerWaalsContact O-N 3.1Å
106	T	96	Very high	81.9	Confident	46 Å²	46	87.6 Å²	87.6	28%	0.282	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	111.8	175.5	-58.7	0	0	0	0	108.5	I12 I85 Y86 V108	I12-T106 HydrophobicContact CG2-CG2 4.49Å; I85-T106 WeakPolarHBondContact CA-O 3.25Å; Y86-T106 PolarHBondContact N-O 3.41Å; Y86-T106 PolarHBondContact O-N 3.21Å; T106-V108 HydrophobicContact CG2-CG2 4.09Å; T106-V108 PolarHBondContact O-N 2.83Å
107	L	95.6	Very high	83.7	Confident	65 Å²	65	81.6 Å²	81.6	34%	0.34	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	121.2	169.9	175.3	62.8	0	0	0	109.1	P1 E2 I85	P1-L107 CarbonylContact C-O 3.59Å; P1-L107 WeakPolarHBondContact CA-O 3.47Å; P1-L107 HydrophobicContact CB-CB 4.41Å; P1-L107 HydrophobicContact CB-CD2 4.29Å; E2-L107 PolarHBondContact N-O 3.2Å; I85-L107 HydrophobicContact CG1-CB 4.37Å; I85-L107 HydrophobicContact CG1-CD1 3.98Å
108	V	95.3	Very high	85.6	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.4	170.8	-176.5	0	0	0	0	108.1	E2 V4 V10 I12 M78 S83 A84 Y86 T106	E2-V108 HydrophobicContact CB-CG2 4.38Å; E2-V108 CarbonylContact O-C 3.46Å; E2-V108 WeakPolarHBondContact O-CA 3.35Å; V4-V108 HydrophobicContact CG2-CG1 4.11Å; V10-V108 HydrophobicContact CG1-CG1 4.48Å; V10-V108 HydrophobicContact CG1-CG2 4.39Å; V10-V108 HydrophobicContact CG2-CG1 4.47Å; I12-V108 HydrophobicContact CD1-CG2 4.02Å; M78-V108 HydrophobicContact CE-CG1 3.82Å; S83-V108 WeakPolarHBondContact CA-O 3.32Å; A84-V108 PolarHBondContact N-O 3.45Å; A84-V108 VanDerWaalsContact N-O 3.08Å; A84-V108 PolarHBondContact O-N 3.49Å; Y86-V108 HydrophobicContact CD2-CB 4.15Å; Y86-V108 HydrophobicContact CD2-CG2 3.88Å; Y86-V108 HydrophobicContact CE2-CB 4.02Å; Y86-V108 HydrophobicContact CE2-CG2 4.19Å; T106-V108 HydrophobicContact CG2-CG2 4.09Å; T106-V108 PolarHBondContact O-N 2.83Å
109	T	94.8	Very high	87.6	Confident	51 Å²	51	74.7 Å²	74.7	31%	0.313	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.2	179.2	-55.7	0	0	0	0	109.1	E2 L3 V4	E2-T109 PolarHBondContact O-N 2.9Å; L3-T109 WeakPolarHBondContact CA-O 3.4Å; L3-T109 HydrophobicContact CD1-CG2 4.01Å; V4-T109 PolarHBondContact N-O 3.08Å
110	V	93.1	Very high	89.5	Confident	10 Å²	10	74.2 Å²	74.2	6%	0.061	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.6	177.7	-170.3	0	0	0	0	108.1	V4 P6 M78 T79 S83	V4-V110 HydrophobicContact CG2-CB 4.32Å; V4-V110 HydrophobicContact CG2-CG1 4.41Å; V4-V110 HydrophobicContact CG2-CG2 3.75Å; V4-V110 WeakPolarHBondContact O-CA 3.29Å; P6-V110 HydrophobicContact CB-CG1 4.34Å; P6-V110 HydrophobicContact CG-CG1 4.05Å; M78-V110 HydrophobicContact CB-CG1 4.49Å; M78-V110 HydrophobicContact CB-CG2 3.92Å; M78-V110 HydrophobicContact CE-CG2 3.89Å; T79-V110 WeakPolarHBondContact O-CB 3.26Å; T79-V110 VanDerWaalsContact O-CG2 3.23Å; T79-V110 WeakPolarHBondContact O-CG2 3.33Å; S83-V110 PolarHBondContact OG-N 3.36Å
111	S	89.7	Confident	91.2	Very high	48 Å²	48	76.8 Å²	76.8	34%	0.336	41%	0.414	S	S	.	.			trans	-116.7	139.5	-178	65.4	0	0	0	0	111.3	L3 V4 P6	L3-S111 WeakPolarHBondContact CD1-OG 3.43Å; V4-S111 PolarHBondContact O-N 2.83Å; V4-S111 VanDerWaalsContact O-N 3.08Å; P6-S111 WeakPolarHBondContact CD-O 3.16Å
112	V	74.2	Confident	91.8	Very high	189 Å²	189	70.3 Å²	70.3	100%	1.145	40%	0.399	S	S	*	.			trans	-73.3	0	173.7	-152.3	0	0	0	0	110.6

Retrieved 112 of 112 residues in 23.5 ms (Link to these results)

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