X5J5F1_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5F1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J5F1_MOUSE|X5J5F1
PGLVQPSQSLSITCTVSGFSLTKSGVHWVRQSPGKGLEWLGVIFSGGTTDYNAAFISRLSISKDNSKSQVFFQMNSLRTNDTAIYYCARKDVTYGGYAMDYWGQGTSVTVSS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	58.9	Low	82.8	Confident	107 Å²	107	72.2 Å²	72.2	70%	0.695	45%	0.446	S	S	*	.				0	146.3	0	-33.5	41.9	0	0	0	108.8	T106 S107 V108	P1-T106 HydrophobicContact CB-CG2 3.4Å; P1-T106 VanDerWaalsContact CB-CG2 3.4Å; P1-T106 HydrophobicContact CG-CG2 3.28Å; P1-S107 CarbonylContact C-O 3.54Å; P1-V108 HydrophobicContact CB-CG2 4.19Å
2	G	71.8	Confident	83.8	Confident	43 Å²	43	66.6 Å²	66.6	44%	0.443	41%	0.411	S	S	.	.			trans	-144.9	-148.4	-162.3	0	0	0	0	0	112.2	V4	G2-V4 PolarHBondContact O-N 3.35Å
3	L	78.4	Confident	84.8	Confident	127 Å²	127	66.5 Å²	66.5	67%	0.665	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	125.9	178.1	-162.6	67	0	0	0	110.6	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.46Å; L3-T109 HydrophobicContact CD1-CG2 3.82Å; L3-S111 WeakPolarHBondContact CD1-OG 3.42Å
4	V	82.2	Confident	85.6	Confident	24 Å²	24	62.6 Å²	62.6	15%	0.145	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.4	177.2	-90.4	0	0	0	0	109.4	G2 L77 V108 T109 V110 S111	G2-V4 PolarHBondContact O-N 3.35Å; V4-L77 HydrophobicContact CB-CD1 3.93Å; V4-L77 HydrophobicContact CG1-CD1 4.36Å; V4-L77 HydrophobicContact CG2-CD1 3.86Å; V4-V108 HydrophobicContact CG2-CG1 3.57Å; V4-T109 WeakPolarHBondContact CG2-O 3.2Å; V4-T109 PolarHBondContact N-O 2.92Å; V4-V110 HydrophobicContact CG2-CG2 3.84Å; V4-V110 VanDerWaalsContact O-CA 3.28Å; V4-V110 WeakPolarHBondContact O-CA 3.4Å; V4-S111 PolarHBondContact O-N 2.59Å
5	Q	82.7	Confident	86.2	Confident	104 Å²	104	64.5 Å²	64.5	49%	0.486	40%	0.398	S	S	.	.			trans	-84.9	155.1	177.7	-72.8	-170.1	-22.3	0	0	111.3	Q8	Q5-Q8 HydrophobicContact CB-CG 4.22Å; Q5-Q8 VanDerWaalsContact N-OE1 3.1Å; Q5-Q8 WeakPolarHBondContact O-CB 3.3Å; Q5-Q8 PolarHBondContact O-N 3Å
6	P	84.9	Confident	86.5	Confident	50 Å²	50	61.3 Å²	61.3	33%	0.325	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	152.3	170	-24.9	34.3	0	0	0	112	Q8 L77 V110 S111	P6-Q8 PolarHBondContact O-N 3.32Å; P6-L77 WeakPolarHBondContact CA-O 3.29Å; P6-V110 HydrophobicContact CG-CG1 4.27Å; P6-S111 WeakPolarHBondContact CD-O 3.33Å
7	S	85.3	Confident	86.6	Confident	102 Å²	102	63.9 Å²	63.9	71%	0.713	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	-8.9	-178.5	-51.1	0	0	0	0	116.1	L77	S7-L77 PolarHBondContact N-O 2.8Å
8	Q	89.5	Confident	86.4	Confident	89 Å²	89	65 Å²	65	42%	0.416	43%	0.425	S	S	.	.			trans	-73.3	170.6	170.3	-64.8	-173.7	-24.4	0	0	111.7	Q5 P6 S76 L77	Q5-Q8 HydrophobicContact CB-CG 4.22Å; Q5-Q8 VanDerWaalsContact N-OE1 3.1Å; Q5-Q8 WeakPolarHBondContact O-CB 3.3Å; Q5-Q8 PolarHBondContact O-N 3Å; P6-Q8 PolarHBondContact O-N 3.32Å; Q8-S76 PolarHBondContact O-N 3.25Å; Q8-L77 VanDerWaalsContact O-CG 3.29Å; Q8-L77 WeakPolarHBondContact O-CG 3.06Å; Q8-L77 PolarHBondContact O-N 2.7Å
9	S	91.4	Very high	86.4	Confident	65 Å²	65	63.6 Å²	63.6	46%	0.455	41%	0.412	S	S	.	.			trans	-104.9	139.4	173	-63.1	0	0	0	0	110.9	M74 N75	S9-M74 CarbonylContact C-O 3.59Å; S9-M74 VanDerWaalsContact CA-O 3.29Å; S9-M74 WeakPolarHBondContact CA-O 3.4Å; S9-N75 WeakPolarHBondContact CB-OD1 3.32Å; S9-N75 PolarHBondContact OG-OD1 2.92Å
10	L	91.4	Very high	86.5	Confident	10 Å²	10	63.3 Å²	63.3	5%	0.052	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.2	171.8	170.8	68.2	0	0	0	108.8	I12 Q73 M74 L77 Y85 V108	L10-I12 HydrophobicContact CD1-CD1 4.36Å; L10-I12 HydrophobicContact CD1-CG1 3.91Å; L10-I12 HydrophobicContact CD2-CD1 3.91Å; L10-I12 HydrophobicContact CD2-CG1 4.18Å; L10-I12 HydrophobicContact CG-CD1 4.23Å; L10-I12 HydrophobicContact CG-CG1 3.93Å; L10-Q73 CarbonylContact O-C 3.55Å; L10-Q73 VanDerWaalsContact O-CA 3.27Å; L10-Q73 WeakPolarHBondContact O-CA 3.46Å; L10-M74 PolarHBondContact N-O 2.87Å; L10-M74 PolarHBondContact O-N 3.02Å; L10-L77 HydrophobicContact CB-CD1 3.83Å; L10-L77 HydrophobicContact CB-CD2 3.91Å; L10-L77 HydrophobicContact CB-CG 4.26Å; L10-L77 HydrophobicContact CD2-CD2 4.34Å; L10-Y85 HydrophobicContact CD2-CE2 4.34Å; L10-V108 HydrophobicContact CD1-CG1 4.2Å; L10-V108 HydrophobicContact CD1-CG2 3.89Å; L10-V108 HydrophobicContact CD2-CB 4.47Å; L10-V108 HydrophobicContact CD2-CG1 4.07Å; L10-V108 HydrophobicContact CD2-CG2 3.95Å
11	S	94.3	Very high	86.8	Confident	73 Å²	73	60.4 Å²	60.4	51%	0.51	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.8	166.9	-173.6	0	0	0	0	109.5	F72	S11-F72 CarbonylContact C-O 3.59Å; S11-F72 WeakPolarHBondContact CA-O 3.42Å
12	I	95.4	Very high	88.3	Confident	5 Å²	5	59 Å²	59	3%	0.026	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.3	176.1	-55.5	175.5	0	0	0	108.5	L10 W28 F71 F72 Y85 T106 V108	L10-I12 HydrophobicContact CD1-CD1 4.36Å; L10-I12 HydrophobicContact CD1-CG1 3.91Å; L10-I12 HydrophobicContact CD2-CD1 3.91Å; L10-I12 HydrophobicContact CD2-CG1 4.18Å; L10-I12 HydrophobicContact CG-CD1 4.23Å; L10-I12 HydrophobicContact CG-CG1 3.93Å; I12-W28 HydrophobicContact CB-CH2 4.06Å; I12-W28 HydrophobicContact CB-CZ3 4.07Å; I12-W28 HydrophobicContact CG2-CH2 3.75Å; I12-W28 HydrophobicContact CG2-CZ3 3.74Å; I12-F71 WeakPolarHBondContact O-CA 3.32Å; I12-F72 HydrophobicContact CD1-CD1 4.28Å; I12-F72 HydrophobicContact CG1-CD1 4.47Å; I12-F72 PolarHBondContact N-O 2.81Å; I12-F72 PolarHBondContact O-N 3.38Å; I12-Y85 VanDerWaalsContact CD1-CB 3.44Å; I12-Y85 HydrophobicContact CD1-CD1 4.15Å; I12-Y85 HydrophobicContact CD1-CD2 4.15Å; I12-Y85 HydrophobicContact CD1-CG 3.66Å; I12-T106 HydrophobicContact CD1-CG2 3.99Å; I12-T106 HydrophobicContact CG1-CG2 4.29Å; I12-T106 HydrophobicContact CG2-CG2 4.31Å; I12-V108 HydrophobicContact CD1-CG2 4.29Å
13	T	96.6	Very high	89.1	Confident	66 Å²	66	65 Å²	65	41%	0.405	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.9	173.6	-55.2	0	0	0	0	109.7	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.12Å; T13-Q69 HydrophobicContact CG2-CG 3.85Å; T13-F71 HydrophobicContact CG2-CD1 3.97Å; T13-F71 HydrophobicContact CG2-CE1 3.67Å; T13-F71 HydrophobicContact CG2-CZ 4.47Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.12Å
14	C	95.3	Very high	89.6	Confident	12 Å²	12	59.4 Å²	59.4	8%	0.081	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.6	166.8	178.9	0	0	0	0	108.8	W28 Q69 V70 C87	C14-W28 HydrophobicContact CB-CH2 3.67Å; C14-W28 HydrophobicContact CB-CZ2 3.77Å; C14-Q69 CarbonylContact O-C 3.55Å; C14-Q69 WeakPolarHBondContact O-CA 3.13Å; C14-V70 HydrophobicContact CB-CB 4.45Å; C14-V70 PolarHBondContact N-O 2.84Å; C14-V70 PolarHBondContact O-N 3.38Å; C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.35Å; C14-C87 WeakPolarHBondContact SG-CB 3.4Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.35Å
15	T	95.1	Very high	90	Very high	91 Å²	91	58.5 Å²	58.5	56%	0.558	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.3	171.8	-55.7	0	0	0	0	108.1	Q69	T15-Q69 HydrophobicContact CG2-CG 4.3Å; T15-Q69 PolarHBondContact OG1-NE2 2.92Å
16	V	90.3	Very high	90.6	Very high	12 Å²	12	53.6 Å²	53.6	7%	0.073	34%	0.34	C	S	.	.			trans	-95.8	140.4	-178.4	-55.4	0	0	0	0	110.8	F19 L21 V26 S68	V16-F19 HydrophobicContact CB-CD1 4.46Å; V16-F19 HydrophobicContact CB-CE1 3.76Å; V16-F19 HydrophobicContact CB-CE2 4.07Å; V16-F19 HydrophobicContact CB-CZ 3.55Å; V16-F19 HydrophobicContact CG1-CE1 4.04Å; V16-F19 HydrophobicContact CG1-CE2 4.05Å; V16-F19 HydrophobicContact CG1-CZ 3.43Å; V16-F19 VanDerWaalsContact CG1-CZ 3.43Å; V16-F19 HydrophobicContact CG2-CE2 4.17Å; V16-F19 HydrophobicContact CG2-CZ 4.17Å; V16-L21 HydrophobicContact CB-CD2 4.43Å; V16-L21 HydrophobicContact CG1-CD2 3.99Å; V16-L21 HydrophobicContact CG2-CD1 4.07Å; V16-L21 HydrophobicContact CG2-CD2 3.64Å; V16-L21 HydrophobicContact CG2-CG 3.62Å; V16-V26 HydrophobicContact CG1-CG2 4.4Å; V16-S68 WeakPolarHBondContact CG2-O 3.47Å; V16-S68 PolarHBondContact N-O 2.93Å
17	S	88.1	Confident	91.1	Very high	107 Å²	107	52.2 Å²	52.2	75%	0.748	33%	0.329	S	S	*	.			trans	-134.1	149.3	172.6	60	0	0	0	0	108.9	F19	S17-F19 VanDerWaalsContact C-N 3.34Å; S17-F19 PolarHBondContact O-N 3.46Å
18	G	84.6	Confident	91.6	Very high	83 Å²	83	47.5 Å²	47.5	86%	0.856	30%	0.295	S	S	*	.	S	Bend	trans	82.8	-1.1	-179.8	0	0	0	0	0	116
19	F	85.1	Confident	91.9	Very high	39 Å²	39	43.4 Å²	43.4	17%	0.171	28%	0.277	C	S	.	.	S	Bend	trans	-153.3	167.9	170.5	66.9	-86.1	0	0	0	112.2	V16 S17 L21 V26 R89	V16-F19 HydrophobicContact CB-CD1 4.46Å; V16-F19 HydrophobicContact CB-CE1 3.76Å; V16-F19 HydrophobicContact CB-CE2 4.07Å; V16-F19 HydrophobicContact CB-CZ 3.55Å; V16-F19 HydrophobicContact CG1-CE1 4.04Å; V16-F19 HydrophobicContact CG1-CE2 4.05Å; V16-F19 HydrophobicContact CG1-CZ 3.43Å; V16-F19 VanDerWaalsContact CG1-CZ 3.43Å; V16-F19 HydrophobicContact CG2-CE2 4.17Å; V16-F19 HydrophobicContact CG2-CZ 4.17Å; S17-F19 VanDerWaalsContact C-N 3.34Å; S17-F19 PolarHBondContact O-N 3.46Å; F19-L21 HydrophobicContact CE2-CD2 3.97Å; F19-V26 HydrophobicContact CE2-CG2 4.23Å; F19-V26 HydrophobicContact CZ-CG2 4.32Å; F19-R89 VanDerWaalsContact CD1-CD 3.5Å; F19-R89 HydrophobicContact CD1-CG 4.33Å; F19-R89 HydrophobicContact CD2-CG 4.05Å; F19-R89 HydrophobicContact CE1-CB 4.05Å; F19-R89 HydrophobicContact CE1-CG 4.09Å; F19-R89 HydrophobicContact CE2-CB 4.34Å; F19-R89 HydrophobicContact CE2-CG 3.78Å; F19-R89 VanDerWaalsContact CG-CD 3.44Å; F19-R89 HydrophobicContact CG-CG 4.3Å; F19-R89 HydrophobicContact CZ-CB 3.85Å; F19-R89 HydrophobicContact CZ-CG 3.79Å
20	S	89.1	Confident	92.1	Very high	56 Å²	56	40.8 Å²	40.8	39%	0.392	26%	0.257	S	S	.	.			trans	-106.2	129.6	-179.3	-170.2	0	0	0	0	112.4	T22 K23 S24	S20-T22 PolarHBondContact O-N 3.17Å; S20-T22 VanDerWaalsContact O-N 3.15Å; S20-T22 PolarHBondContact OG-OG1 2.87Å; S20-K23 PolarHBondContact O-N 3.27Å; S20-S24 PolarHBondContact O-N 2.9Å
21	L	91.6	Very high	92.4	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.2	176.3	-64.9	-179	0	0	0	114.3	V16 F19 K23 V26 K63 N65 V70	V16-L21 HydrophobicContact CB-CD2 4.43Å; V16-L21 HydrophobicContact CG1-CD2 3.99Å; V16-L21 HydrophobicContact CG2-CD1 4.07Å; V16-L21 HydrophobicContact CG2-CD2 3.64Å; V16-L21 HydrophobicContact CG2-CG 3.62Å; F19-L21 HydrophobicContact CE2-CD2 3.97Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-V26 HydrophobicContact CD2-CG2 3.65Å; L21-K63 HydrophobicContact CD1-CB 4.47Å; L21-K63 PolarHBondContact O-NZ 2.86Å; L21-N65 VanDerWaalsContact CB-OD1 3.26Å; L21-N65 WeakPolarHBondContact CB-OD1 3.28Å; L21-V70 HydrophobicContact CD1-CG2 3.82Å; L21-V70 HydrophobicContact CD2-CG2 3.69Å; L21-V70 HydrophobicContact CG-CG2 4.44Å
22	T	90.6	Very high	92.5	Very high	77 Å²	77	40.7 Å²	40.7	47%	0.472	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-19.9	173.1	59.4	0	0	0	0	112.3	S20 S45 N65	S20-T22 PolarHBondContact O-N 3.17Å; S20-T22 VanDerWaalsContact O-N 3.15Å; S20-T22 PolarHBondContact OG-OG1 2.87Å; T22-S45 WeakPolarHBondContact O-CB 3.42Å; T22-N65 HydrophobicContact CG2-CB 4.33Å
23	K	88.4	Confident	92.4	Very high	169 Å²	169	45.4 Å²	45.4	74%	0.735	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-23.5	-178	-63	-175.2	-179.4	-178.2	0	113	S20 L21	S20-K23 PolarHBondContact O-N 3.27Å; L21-K23 VanDerWaalsContact C-N 3.34Å
24	S	89	Confident	92.3	Very high	11 Å²	11	46.7 Å²	46.7	8%	0.077	31%	0.307	C	S	.	.			trans	-118.5	150.4	-177	-52	0	0	0	0	112.1	S20	S20-S24 PolarHBondContact O-N 2.9Å
25	G	91.8	Very high	92.3	Very high	4 Å²	4	51.9 Å²	51.9	4%	0.041	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	168.8	167.6	0	0	0	0	0	111.6	I43 K90	G25-I43 CarbonylContact C-O 3.52Å; G25-I43 WeakPolarHBondContact CA-O 3.33Å; G25-K90 PolarHBondContact N-O 2.8Å; G25-K90 PolarHBondContact O-N 2.8Å
26	V	94.7	Very high	92.2	Very high	2 Å²	2	50 Å²	50	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	121.4	174.6	179.1	0	0	0	0	109.7	V16 F19 L21 V42 I43 V70 C87 A88	V16-V26 HydrophobicContact CG1-CG2 4.4Å; F19-V26 HydrophobicContact CE2-CG2 4.23Å; F19-V26 HydrophobicContact CZ-CG2 4.32Å; L21-V26 HydrophobicContact CD2-CG2 3.65Å; V26-V42 WeakPolarHBondContact O-CA 3.31Å; V26-V42 WeakPolarHBondContact O-CG2 3.4Å; V26-I43 HydrophobicContact CB-CG2 4.31Å; V26-I43 PolarHBondContact N-O 2.88Å; V26-I43 PolarHBondContact O-N 2.92Å; V26-V70 HydrophobicContact CB-CG1 4.31Å; V26-V70 HydrophobicContact CB-CG2 3.98Å; V26-V70 HydrophobicContact CG1-CB 4.39Å; V26-V70 HydrophobicContact CG1-CG1 4.27Å; V26-V70 HydrophobicContact CG1-CG2 4.29Å; V26-V70 HydrophobicContact CG2-CG2 3.77Å; V26-C87 HydrophobicContact CG1-CB 3.88Å; V26-A88 CarbonylContact C-O 3.43Å; V26-A88 WeakPolarHBondContact CA-O 3.35Å
27	H	95.1	Very high	92.5	Very high	21 Å²	21	54.1 Å²	54.1	10%	0.097	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	147.9	173.3	-68.1	-94.9	0	0	0	110.7	W39 G41 C87 A88 K90 M99	H27-W39 AromaticContact CG-NE1 3.95Å; H27-W39 AromaticContact ND1-CD1 3.74Å; H27-W39 AromaticContact ND1-NE1 3.07Å; H27-W39 PolarHBondContact ND1-NE1 2.85Å; H27-G41 CarbonylContact C-O 3.43Å; H27-G41 WeakPolarHBondContact CA-O 3.33Å; H27-C87 CarbonylContact O-C 3.58Å; H27-C87 VanDerWaalsContact O-CA 3.26Å; H27-C87 WeakPolarHBondContact O-CA 3.34Å; H27-A88 HydrophobicContact CB-CB 4.46Å; H27-A88 PolarHBondContact N-O 2.87Å; H27-A88 PolarHBondContact O-N 3.01Å; H27-K90 WeakPolarHBondContact NE2-CB 3.49Å; H27-K90 WeakPolarHBondContact NE2-CG 3.44Å; H27-M99 HydrophobicContact CB-CE 4Å; H27-M99 HydrophobicContact CB-SD 4.26Å; H27-M99 VanDerWaalsContact CG-CE 3.49Å; H27-M99 WeakPolarHBondContact ND1-CE 3.42Å
28	W	96.3	Very high	92.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.008	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.4	166.2	-71.1	93.1	0	0	0	109.5	I12 C14 L40 G41 V70 F72 Y86 C87	I12-W28 HydrophobicContact CB-CH2 4.06Å; I12-W28 HydrophobicContact CB-CZ3 4.07Å; I12-W28 HydrophobicContact CG2-CH2 3.75Å; I12-W28 HydrophobicContact CG2-CZ3 3.74Å; C14-W28 HydrophobicContact CB-CH2 3.67Å; C14-W28 HydrophobicContact CB-CZ2 3.77Å; W28-L40 HydrophobicContact CB-CB 4.24Å; W28-L40 WeakPolarHBondContact O-CB 3.45Å; W28-L40 PolarHBondContact O-N 2.65Å; W28-G41 PolarHBondContact N-O 3.22Å; W28-G41 PolarHBondContact O-N 3.18Å; W28-V70 HydrophobicContact CZ2-CB 4.47Å; W28-V70 HydrophobicContact CZ2-CG1 4.11Å; W28-F72 HydrophobicContact CB-CD2 3.94Å; W28-F72 HydrophobicContact CB-CE2 4.22Å; W28-F72 HydrophobicContact CD2-CB 3.52Å; W28-F72 AromaticContact CD2-CD2 3.88Å; W28-F72 HydrophobicContact CD2-CD2 3.88Å; W28-F72 AromaticContact CD2-CG 3.87Å; W28-F72 HydrophobicContact CD2-CG 3.87Å; W28-F72 HydrophobicContact CE3-CB 3.8Å; W28-F72 HydrophobicContact CE3-CD2 4.32Å; W28-F72 HydrophobicContact CE3-CG 4.01Å; W28-F72 HydrophobicContact CG-CB 4.13Å; W28-F72 AromaticContact CG-CD2 3.67Å; W28-F72 HydrophobicContact CG-CD2 3.67Å; W28-F72 HydrophobicContact CG-CE2 4.43Å; W28-F72 HydrophobicContact CG-CG 4.18Å; W28-F72 HydrophobicContact CH2-CB 3.72Å; W28-F72 HydrophobicContact CZ2-CB 3.46Å; W28-F72 VanDerWaalsContact CZ2-CB 3.46Å; W28-F72 HydrophobicContact CZ3-CB 3.89Å; W28-F72 HydrophobicContact CZ3-CG 4.42Å; W28-Y86 WeakPolarHBondContact CA-O 3.36Å; W28-C87 HydrophobicContact CD2-CB 4.42Å; W28-C87 HydrophobicContact CE3-CB 4.26Å; W28-C87 HydrophobicContact CH2-CB 4.16Å; W28-C87 HydrophobicContact CZ2-CB 4.27Å; W28-C87 HydrophobicContact CZ3-CB 4.14Å
29	V	96.2	Very high	93.3	Very high	4 Å²	4	51 Å²	51	2%	0.024	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	145.4	-177.3	-177.7	0	0	0	0	107.4	L37 E38 Y85 Y86 W102	V29-L37 HydrophobicContact CG1-CB 3.84Å; V29-L37 HydrophobicContact CG1-CD2 4.05Å; V29-L37 HydrophobicContact CG1-CG 4.39Å; V29-E38 CarbonylContact C-O 3.42Å; V29-E38 WeakPolarHBondContact CA-O 3.2Å; V29-E38 WeakPolarHBondContact CG1-O 3.41Å; V29-Y85 CarbonylContact O-C 3.56Å; V29-Y86 PolarHBondContact N-O 2.86Å; V29-Y86 PolarHBondContact O-N 3.14Å; V29-W102 HydrophobicContact CB-CH2 4.09Å; V29-W102 HydrophobicContact CB-CZ3 3.89Å; V29-W102 HydrophobicContact CG1-CH2 4.02Å; V29-W102 HydrophobicContact CG1-CZ3 4Å; V29-W102 HydrophobicContact CG2-CH2 3.83Å; V29-W102 HydrophobicContact CG2-CZ3 4.05Å
30	R	96	Very high	93.8	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.038	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.2	170.5	69.6	175.7	-170.5	174.9	14.5	112	E38 L40 F55 D81 A83 I84 Y85	R30-E38 HydrophobicContact CG-CB 4.01Å; R30-E38 IonicContact CZ-OE2 2.92Å; R30-E38 PolarHBondContact N-O 2.89Å; R30-E38 IonicContact NE-OE2 3.44Å; R30-E38 PolarHBondContact NE-OE2 3.13Å; R30-E38 IonicContact NH2-OE2 3.81Å; R30-E38 PolarHBondContact NH2-OE2 2.92Å; R30-E38 PolarHBondContact O-N 2.96Å; R30-L40 HydrophobicContact CB-CD1 3.94Å; R30-L40 HydrophobicContact CB-CG 4.46Å; R30-L40 HydrophobicContact CG-CD1 4.03Å; R30-L40 HydrophobicContact CG-CD2 3.98Å; R30-L40 HydrophobicContact CG-CG 4.11Å; R30-F55 VanDerWaalsContact CZ-CZ 3.48Å; R30-F55 VanDerWaalsContact NH2-CE1 3.3Å; R30-D81 IonicContact NH1-OD1 3.34Å; R30-D81 PolarHBondContact NH1-OD1 3.29Å; R30-A83 HydrophobicContact CB-CB 3.92Å; R30-A83 HydrophobicContact CG-CB 4.35Å; R30-I84 CarbonylContact C-O 3.46Å; R30-I84 WeakPolarHBondContact CA-O 3.09Å; R30-Y85 HydrophobicContact CB-CD1 3.94Å; R30-Y85 HydrophobicContact CB-CE1 3.95Å; R30-Y85 HydrophobicContact CB-CG 4.31Å
31	Q	97.1	Very high	94.1	Very high	71 Å²	71	46.5 Å²	46.5	33%	0.332	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	109.1	172.1	-166.7	176.8	22	0	0	109.7	K35 L37 A83 I84 Y86	Q31-K35 WeakPolarHBondContact CG-O 3.38Å; Q31-K35 PolarHBondContact NE2-O 2.81Å; Q31-L37 HydrophobicContact CB-CD2 4.01Å; Q31-L37 HydrophobicContact CG-CD2 4.29Å; Q31-A83 VanDerWaalsContact O-CA 3.3Å; Q31-A83 WeakPolarHBondContact O-CA 3.02Å; Q31-A83 VanDerWaalsContact O-CB 3.32Å; Q31-A83 WeakPolarHBondContact O-CB 3.48Å; Q31-I84 PolarHBondContact N-O 3.15Å; Q31-I84 PolarHBondContact O-N 2.98Å; Q31-Y86 HydrophobicContact CB-CE2 3.91Å
32	S	95.8	Very high	94.3	Very high	10 Å²	10	46.5 Å²	46.5	7%	0.07	27%	0.269	C	S	.	.			trans	-76.2	153.6	171.8	-64.5	0	0	0	0	110.8	G34 K35 T82	S32-G34 PolarHBondContact O-N 3.35Å; S32-K35 PolarHBondContact O-N 2.94Å; S32-T82 PolarHBondContact OG-O 3.17Å
33	P	94.1	Very high	94.5	Very high	103 Å²	103	43.1 Å²	43.1	67%	0.669	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	127.1	176	-25.8	34.6	0	0	0	111.9	K35	P33-K35 PolarHBondContact O-N 2.84Å
34	G	94.4	Very high	94.8	Very high	94 Å²	94	37.7 Å²	37.7	97%	0.969	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	9.3	-179.7	0	0	0	0	0	115.6	S32	S32-G34 PolarHBondContact O-N 3.35Å
35	K	94.3	Very high	94.9	Very high	120 Å²	120	39.7 Å²	39.7	52%	0.522	24%	0.239	S	C	.	.			trans	-116.9	162.8	177.8	-61.4	-165.3	-178.9	-179.3	0	112.7	Q31 S32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.38Å; Q31-K35 PolarHBondContact NE2-O 2.81Å; S32-K35 PolarHBondContact O-N 2.94Å; P33-K35 PolarHBondContact O-N 2.84Å
36	G	94.3	Very high	94.9	Very high	52 Å²	52	42.8 Å²	42.8	54%	0.536	27%	0.271	S	S	.	.			trans	-71.5	179.6	170.3	0	0	0	0	0	113
37	L	95	Very high	94.8	Very high	99 Å²	99	44.4 Å²	44.4	52%	0.518	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127.9	174.2	-64.6	178.9	0	0	0	110.7	V29 Q31 Y86 W102	V29-L37 HydrophobicContact CG1-CB 3.84Å; V29-L37 HydrophobicContact CG1-CD2 4.05Å; V29-L37 HydrophobicContact CG1-CG 4.39Å; Q31-L37 HydrophobicContact CB-CD2 4.01Å; Q31-L37 HydrophobicContact CG-CD2 4.29Å; L37-Y86 HydrophobicContact CD2-CE2 4.49Å; L37-W102 HydrophobicContact CD1-CH2 3.8Å; L37-W102 HydrophobicContact CD1-CZ2 4.47Å; L37-W102 HydrophobicContact CD1-CZ3 4.24Å
38	E	95.3	Very high	94.8	Very high	50 Å²	50	47.8 Å²	47.8	23%	0.234	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.6	175.7	-67.7	-179.9	176.6	0	0	109.5	V29 R30	V29-E38 CarbonylContact C-O 3.42Å; V29-E38 WeakPolarHBondContact CA-O 3.2Å; V29-E38 WeakPolarHBondContact CG1-O 3.41Å; R30-E38 HydrophobicContact CG-CB 4.01Å; R30-E38 IonicContact CZ-OE2 2.92Å; R30-E38 PolarHBondContact N-O 2.89Å; R30-E38 IonicContact NE-OE2 3.44Å; R30-E38 PolarHBondContact NE-OE2 3.13Å; R30-E38 IonicContact NH2-OE2 3.81Å; R30-E38 PolarHBondContact NH2-OE2 2.92Å; R30-E38 PolarHBondContact O-N 2.96Å
39	W	94.9	Very high	94.8	Very high	75 Å²	75	50.4 Å²	50.4	28%	0.284	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134	174.4	179.5	73.1	0	0	0	111	H27 G41 V42 D50 N52	H27-W39 AromaticContact CG-NE1 3.95Å; H27-W39 AromaticContact ND1-CD1 3.74Å; H27-W39 AromaticContact ND1-NE1 3.07Å; H27-W39 PolarHBondContact ND1-NE1 2.85Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 2.75Å; W39-V42 HydrophobicContact CZ2-CB 4.08Å; W39-V42 HydrophobicContact CZ2-CG1 3.9Å; W39-D50 HydrophobicContact CH2-CB 4.38Å; W39-N52 HydrophobicContact CE3-CB 3.88Å; W39-N52 HydrophobicContact CZ3-CB 3.99Å; W39-N52 WeakPolarHBondContact O-CB 3.43Å; W39-N52 PolarHBondContact O-ND2 2.93Å
40	L	95.8	Very high	94.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-39.1	-176.7	-64.4	176.3	0	0	0	112.9	W28 R30 N52 F55 L59 F72 Y85	W28-L40 HydrophobicContact CB-CB 4.24Å; W28-L40 WeakPolarHBondContact O-CB 3.45Å; W28-L40 PolarHBondContact O-N 2.65Å; R30-L40 HydrophobicContact CB-CD1 3.94Å; R30-L40 HydrophobicContact CB-CG 4.46Å; R30-L40 HydrophobicContact CG-CD1 4.03Å; R30-L40 HydrophobicContact CG-CD2 3.98Å; R30-L40 HydrophobicContact CG-CG 4.11Å; L40-N52 PolarHBondContact O-N 2.93Å; L40-F55 HydrophobicContact CD2-CD1 4.26Å; L40-F55 HydrophobicContact CD2-CD2 3.85Å; L40-F55 HydrophobicContact CD2-CE1 4.39Å; L40-F55 HydrophobicContact CD2-CE2 3.97Å; L40-F55 HydrophobicContact CD2-CG 4.01Å; L40-F55 HydrophobicContact CD2-CZ 4.26Å; L40-L59 HydrophobicContact CB-CD1 4.05Å; L40-L59 WeakPolarHBondContact O-CD1 3.46Å; L40-F72 HydrophobicContact CB-CE2 4.28Å; L40-F72 HydrophobicContact CD1-CE2 3.89Å; L40-F72 HydrophobicContact CD1-CZ 3.68Å; L40-Y85 HydrophobicContact CD1-CD1 3.79Å; L40-Y85 HydrophobicContact CD1-CE1 3.71Å
41	G	95.4	Very high	94.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.2	177.8	-176.3	0	0	0	0	0	112.6	H27 W28 W39 D50	H27-G41 CarbonylContact C-O 3.43Å; H27-G41 WeakPolarHBondContact CA-O 3.33Å; W28-G41 PolarHBondContact N-O 3.22Å; W28-G41 PolarHBondContact O-N 3.18Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 2.75Å; G41-D50 CarbonylContact C-O 3.57Å; G41-D50 WeakPolarHBondContact CA-O 3.28Å
42	V	95.3	Very high	94.6	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	146.7	177.6	65.3	0	0	0	0	109.8	V26 W39 F44 T49 D50	V26-V42 WeakPolarHBondContact O-CA 3.31Å; V26-V42 WeakPolarHBondContact O-CG2 3.4Å; W39-V42 HydrophobicContact CZ2-CB 4.08Å; W39-V42 HydrophobicContact CZ2-CG1 3.9Å; V42-F44 HydrophobicContact CG1-CD1 4.43Å; V42-F44 HydrophobicContact CG1-CD2 4.41Å; V42-F44 HydrophobicContact CG1-CE1 3.72Å; V42-F44 HydrophobicContact CG1-CE2 3.75Å; V42-F44 HydrophobicContact CG1-CZ 3.37Å; V42-F44 HydrophobicContact CG2-CD1 4.27Å; V42-F44 HydrophobicContact CG2-CE1 4.1Å; V42-T49 VanDerWaalsContact O-CA 3.25Å; V42-T49 WeakPolarHBondContact O-CA 3.15Å; V42-D50 HydrophobicContact CG1-CB 3.9Å; V42-D50 PolarHBondContact N-O 3.26Å; V42-D50 PolarHBondContact O-N 3.45Å
43	I	95.8	Very high	94.4	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.036	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.6	160.3	-171	161.9	0	0	0	109.1	G25 V26 T48 T49 I61 K63 V70	G25-I43 CarbonylContact C-O 3.52Å; G25-I43 WeakPolarHBondContact CA-O 3.33Å; V26-I43 HydrophobicContact CB-CG2 4.31Å; V26-I43 PolarHBondContact N-O 2.88Å; V26-I43 PolarHBondContact O-N 2.92Å; I43-T48 WeakPolarHBondContact CA-O 3.41Å; I43-T49 HydrophobicContact CB-CG2 3.99Å; I43-T49 HydrophobicContact CD1-CG2 4.06Å; I43-T49 HydrophobicContact CG1-CG2 3.88Å; I43-I61 HydrophobicContact CB-CG2 3.69Å; I43-I61 HydrophobicContact CD1-CG2 4.44Å; I43-I61 HydrophobicContact CG2-CG2 3.73Å; I43-K63 HydrophobicContact CD1-CB 3.99Å; I43-K63 HydrophobicContact CD1-CD 3.91Å; I43-K63 HydrophobicContact CD1-CG 3.72Å; I43-K63 HydrophobicContact CG1-CD 4.15Å; I43-K63 HydrophobicContact CG1-CG 4.5Å; I43-V70 HydrophobicContact CG2-CG1 3.75Å; I43-V70 HydrophobicContact CG2-CG2 4.5Å
44	F	93.8	Very high	94.3	Very high	54 Å²	54	56.7 Å²	56.7	24%	0.237	38%	0.376	C	S	.	.			trans	-80.6	167.6	-179.1	-61.1	-69.7	0	0	0	111.7	V42 G46 G47 T48 D50 K63 K90	V42-F44 HydrophobicContact CG1-CD1 4.43Å; V42-F44 HydrophobicContact CG1-CD2 4.41Å; V42-F44 HydrophobicContact CG1-CE1 3.72Å; V42-F44 HydrophobicContact CG1-CE2 3.75Å; V42-F44 HydrophobicContact CG1-CZ 3.37Å; V42-F44 HydrophobicContact CG2-CD1 4.27Å; V42-F44 HydrophobicContact CG2-CE1 4.1Å; F44-G46 PolarHBondContact O-N 3.07Å; F44-G47 PolarHBondContact O-N 2.85Å; F44-T48 WeakPolarHBondContact CD2-O 3.39Å; F44-T48 WeakPolarHBondContact CD2-OG1 3.44Å; F44-T48 PolarHBondContact N-O 2.92Å; F44-D50 HydrophobicContact CE2-CB 4.07Å; F44-D50 HydrophobicContact CZ-CB 4.38Å; F44-K63 PolarHBondContact O-NZ 2.65Å; F44-K90 HydrophobicContact CD1-CD 4.09Å; F44-K90 HydrophobicContact CE1-CD 4.03Å; F44-K90 VanDerWaalsContact CE1-NZ 3.3Å
45	S	91.9	Very high	93.9	Very high	53 Å²	53	53.3 Å²	53.3	37%	0.371	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.6	175.7	53.1	0	0	0	0	112.3	T22 G47 K63	T22-S45 WeakPolarHBondContact O-CB 3.42Å; S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact O-N 2.83Å; S45-K63 VanDerWaalsContact C-NZ 3.31Å; S45-K63 PolarHBondContact O-NZ 2.83Å
46	G	91.7	Very high	93.7	Very high	70 Å²	70	52 Å²	52	72%	0.722	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-6	173.5	0	0	0	0	0	115.5	F44	F44-G46 PolarHBondContact O-N 3.07Å
47	G	92.9	Very high	93.6	Very high	36 Å²	36	54.8 Å²	54.8	37%	0.371	34%	0.344	S	S	.	.	S	Bend	trans	89.1	-5.9	178.8	0	0	0	0	0	115.3	F44 S45	F44-G47 PolarHBondContact O-N 2.85Å; S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact O-N 2.83Å
48	T	94.7	Very high	93.6	Very high	92 Å²	92	50.8 Å²	50.8	56%	0.564	32%	0.322	S	S	*	.			trans	-65.4	150.4	169.6	49.3	0	0	0	0	110.8	I43 F44	I43-T48 WeakPolarHBondContact CA-O 3.41Å; F44-T48 WeakPolarHBondContact CD2-O 3.39Å; F44-T48 WeakPolarHBondContact CD2-OG1 3.44Å; F44-T48 PolarHBondContact N-O 2.92Å
49	T	96.1	Very high	93.5	Very high	56 Å²	56	49.1 Å²	49.1	34%	0.344	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.5	-179.7	49.8	0	0	0	0	111.3	V42 I43 Y51 I61	V42-T49 VanDerWaalsContact O-CA 3.25Å; V42-T49 WeakPolarHBondContact O-CA 3.15Å; I43-T49 HydrophobicContact CB-CG2 3.99Å; I43-T49 HydrophobicContact CD1-CG2 4.06Å; I43-T49 HydrophobicContact CG1-CG2 3.88Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.47Å; T49-Y51 PolarHBondContact OG1-OH 2.7Å; T49-I61 HydrophobicContact CG2-CB 4.21Å
50	D	95.2	Very high	93.6	Very high	83 Å²	83	48 Å²	48	44%	0.444	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147.2	168.8	-173.2	17.1	0	0	0	108.8	W39 G41 V42 F44	W39-D50 HydrophobicContact CH2-CB 4.38Å; G41-D50 CarbonylContact C-O 3.57Å; G41-D50 WeakPolarHBondContact CA-O 3.28Å; V42-D50 HydrophobicContact CG1-CB 3.9Å; V42-D50 PolarHBondContact N-O 3.26Å; V42-D50 PolarHBondContact O-N 3.45Å; F44-D50 HydrophobicContact CE2-CB 4.07Å; F44-D50 HydrophobicContact CZ-CB 4.38Å
51	Y	95.6	Very high	93.7	Very high	41 Å²	41	48.4 Å²	48.4	16%	0.161	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.4	-169.6	-60.6	-82.2	0	0	0	110.9	T49 A53 I56 L59 I61	T49-Y51 WeakPolarHBondContact OG1-CE2 3.47Å; T49-Y51 PolarHBondContact OG1-OH 2.7Å; Y51-A53 PolarHBondContact O-N 3.06Å; Y51-I56 HydrophobicContact CD2-CD1 4.26Å; Y51-I56 HydrophobicContact CD2-CG1 4.03Å; Y51-I56 HydrophobicContact CG-CG1 4.1Å; Y51-L59 HydrophobicContact CD1-CB 3.75Å; Y51-L59 HydrophobicContact CD1-CD1 4.2Å; Y51-L59 HydrophobicContact CE1-CB 3.88Å; Y51-I61 HydrophobicContact CD1-CD1 4.13Å; Y51-I61 HydrophobicContact CE1-CB 4.36Å; Y51-I61 HydrophobicContact CE1-CD1 3.74Å; Y51-I61 HydrophobicContact CE1-CG1 3.88Å; Y51-I61 PolarHBondContact OH-N 3.21Å
52	N	94.3	Very high	93.8	Very high	48 Å²	48	51.1 Å²	51.1	26%	0.257	34%	0.339	S	S	.	.			trans	-67.1	126.4	166.3	-176.1	-35.2	0	0	0	109.6	W39 L40 A54 F55 I56	W39-N52 HydrophobicContact CE3-CB 3.88Å; W39-N52 HydrophobicContact CZ3-CB 3.99Å; W39-N52 WeakPolarHBondContact O-CB 3.43Å; W39-N52 PolarHBondContact O-ND2 2.93Å; L40-N52 PolarHBondContact O-N 2.93Å; N52-A54 PolarHBondContact O-N 3.04Å; N52-A54 VanDerWaalsContact O-N 3.08Å; N52-A54 WeakPolarHBondContact OD1-CB 3.42Å; N52-A54 PolarHBondContact OD1-N 3.36Å; N52-F55 HydrophobicContact CB-CD2 3.94Å; N52-F55 PolarHBondContact O-N 3.02Å; N52-I56 PolarHBondContact O-N 3.48Å
53	A	92.8	Very high	93.8	Very high	86 Å²	86	53.1 Å²	53.1	71%	0.711	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-30.3	-178	0	0	0	0	0	113.5	Y51 F55	Y51-A53 PolarHBondContact O-N 3.06Å; A53-F55 PolarHBondContact O-N 3.08Å
54	A	89.9	Confident	93.8	Very high	73 Å²	73	54.7 Å²	54.7	60%	0.603	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-19.2	177.4	0	0	0	0	0	113.7	N52	N52-A54 PolarHBondContact O-N 3.04Å; N52-A54 VanDerWaalsContact O-N 3.08Å; N52-A54 WeakPolarHBondContact OD1-CB 3.42Å; N52-A54 PolarHBondContact OD1-N 3.36Å
55	F	87.3	Confident	93.8	Very high	22 Å²	22	55.5 Å²	55.5	10%	0.096	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-11.8	-173.1	-57.6	-83.9	0	0	0	114.1	R30 L40 N52 A53 S57 R58 L59 M74	R30-F55 VanDerWaalsContact CZ-CZ 3.48Å; R30-F55 VanDerWaalsContact NH2-CE1 3.3Å; L40-F55 HydrophobicContact CD2-CD1 4.26Å; L40-F55 HydrophobicContact CD2-CD2 3.85Å; L40-F55 HydrophobicContact CD2-CE1 4.39Å; L40-F55 HydrophobicContact CD2-CE2 3.97Å; L40-F55 HydrophobicContact CD2-CG 4.01Å; L40-F55 HydrophobicContact CD2-CZ 4.26Å; N52-F55 HydrophobicContact CB-CD2 3.94Å; N52-F55 PolarHBondContact O-N 3.02Å; A53-F55 PolarHBondContact O-N 3.08Å; F55-S57 PolarHBondContact O-N 2.9Å; F55-R58 PolarHBondContact O-N 3.33Å; F55-L59 HydrophobicContact CB-CD1 3.43Å; F55-L59 VanDerWaalsContact CB-CD1 3.43Å; F55-L59 HydrophobicContact CB-CG 3.78Å; F55-L59 HydrophobicContact CG-CD1 4.41Å; F55-L59 WeakPolarHBondContact O-CG 3.32Å; F55-L59 PolarHBondContact O-N 2.91Å; F55-M74 HydrophobicContact CD1-CE 4.27Å
56	I	89.5	Confident	93.9	Very high	94 Å²	94	58 Å²	58	48%	0.482	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-34.1	-170.3	-167	166.6	0	0	0	114.5	Y51 N52 R58	Y51-I56 HydrophobicContact CD2-CD1 4.26Å; Y51-I56 HydrophobicContact CD2-CG1 4.03Å; Y51-I56 HydrophobicContact CG-CG1 4.1Å; N52-I56 PolarHBondContact O-N 3.48Å; I56-R58 PolarHBondContact O-N 3.01Å
57	S	92.4	Very high	94.1	Very high	110 Å²	110	60.7 Å²	60.7	77%	0.769	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.2	-179.6	59.5	0	0	0	0	114.5	F55	F55-S57 PolarHBondContact O-N 2.9Å
58	R	94.6	Very high	94.2	Very high	15 Å²	15	61.2 Å²	61.2	6%	0.057	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-8.8	-173.9	-60	-169.9	-58	128.3	-0.6	113.7	F55 I56 M74 N75 S76 D81	F55-R58 PolarHBondContact O-N 3.33Å; I56-R58 PolarHBondContact O-N 3.01Å; R58-M74 CarbonylContact O-C 3.45Å; R58-M74 WeakPolarHBondContact O-CA 3.45Å; R58-N75 WeakPolarHBondContact CB-O 3.35Å; R58-N75 PolarHBondContact O-N 2.95Å; R58-S76 PolarHBondContact NH1-O 2.7Å; R58-D81 IonicContact CZ-OD1 3.26Å; R58-D81 IonicContact CZ-OD2 2.65Å; R58-D81 IonicContact NH1-OD1 3.43Å; R58-D81 IonicContact NH1-OD2 2.94Å; R58-D81 PolarHBondContact NH1-OD2 2.97Å; R58-D81 IonicContact NH2-OD1 2.7Å; R58-D81 PolarHBondContact NH2-OD1 2.87Å; R58-D81 IonicContact NH2-OD2 3.53Å; R58-D81 PolarHBondContact NH2-OD2 2.99Å
59	L	94.7	Very high	94.3	Very high	15 Å²	15	59 Å²	59	8%	0.079	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	146.5	-173.7	-66.8	-174.3	0	0	0	112.5	L40 Y51 F55 F72 Q73 M74	L40-L59 HydrophobicContact CB-CD1 4.05Å; L40-L59 WeakPolarHBondContact O-CD1 3.46Å; Y51-L59 HydrophobicContact CD1-CB 3.75Å; Y51-L59 HydrophobicContact CD1-CD1 4.2Å; Y51-L59 HydrophobicContact CE1-CB 3.88Å; F55-L59 HydrophobicContact CB-CD1 3.43Å; F55-L59 VanDerWaalsContact CB-CD1 3.43Å; F55-L59 HydrophobicContact CB-CG 3.78Å; F55-L59 HydrophobicContact CG-CD1 4.41Å; F55-L59 WeakPolarHBondContact O-CG 3.32Å; F55-L59 PolarHBondContact O-N 2.91Å; L59-F72 HydrophobicContact CD1-CE2 4.14Å; L59-F72 HydrophobicContact CD2-CE1 4.32Å; L59-F72 HydrophobicContact CD2-CE2 3.46Å; L59-F72 VanDerWaalsContact CD2-CE2 3.46Å; L59-F72 HydrophobicContact CD2-CZ 3.31Å; L59-F72 HydrophobicContact CG-CE2 4.33Å; L59-Q73 CarbonylContact C-O 3.56Å; L59-Q73 WeakPolarHBondContact CA-O 3.39Å; L59-M74 HydrophobicContact CD2-CB 3.85Å; L59-M74 HydrophobicContact CD2-CE 3.47Å; L59-M74 VanDerWaalsContact CD2-CE 3.47Å; L59-M74 HydrophobicContact CD2-CG 3.92Å
60	S	96.3	Very high	94.3	Very high	51 Å²	51	56.4 Å²	56.4	36%	0.357	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	130.5	165.5	177.8	0	0	0	0	109	Q73	S60-Q73 PolarHBondContact N-O 2.83Å; S60-Q73 PolarHBondContact O-N 3.35Å
61	I	97.4	Very high	94.4	Very high	8 Å²	8	55 Å²	55	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.8	175.2	-58.6	161.1	0	0	0	108.4	I43 T49 Y51 V70 F71 F72	I43-I61 HydrophobicContact CB-CG2 3.69Å; I43-I61 HydrophobicContact CD1-CG2 4.44Å; I43-I61 HydrophobicContact CG2-CG2 3.73Å; T49-I61 HydrophobicContact CG2-CB 4.21Å; Y51-I61 HydrophobicContact CD1-CD1 4.13Å; Y51-I61 HydrophobicContact CE1-CB 4.36Å; Y51-I61 HydrophobicContact CE1-CD1 3.74Å; Y51-I61 HydrophobicContact CE1-CG1 3.88Å; Y51-I61 PolarHBondContact OH-N 3.21Å; I61-V70 HydrophobicContact CG2-CG1 4.02Å; I61-F71 WeakPolarHBondContact CA-O 3.26Å; I61-F72 HydrophobicContact CG1-CD2 4.03Å
62	S	97	Very high	94.5	Very high	57 Å²	57	53 Å²	53	40%	0.399	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	168.6	175.3	68.7	0	0	0	0	110.7	V70 F71	S62-V70 CarbonylContact O-C 3.59Å; S62-V70 WeakPolarHBondContact O-CA 3.36Å; S62-V70 WeakPolarHBondContact O-CG1 3.35Å; S62-F71 PolarHBondContact N-O 2.85Å; S62-F71 PolarHBondContact O-N 2.91Å
63	K	96.1	Very high	94.5	Very high	44 Å²	44	54.5 Å²	54.5	19%	0.191	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.6	177.1	70.4	-177.7	-171.5	175.8	0	112.1	L21 I43 F44 S45 N65 Q69 V70	L21-K63 HydrophobicContact CD1-CB 4.47Å; L21-K63 PolarHBondContact O-NZ 2.86Å; I43-K63 HydrophobicContact CD1-CB 3.99Å; I43-K63 HydrophobicContact CD1-CD 3.91Å; I43-K63 HydrophobicContact CD1-CG 3.72Å; I43-K63 HydrophobicContact CG1-CD 4.15Å; I43-K63 HydrophobicContact CG1-CG 4.5Å; F44-K63 PolarHBondContact O-NZ 2.65Å; S45-K63 VanDerWaalsContact C-NZ 3.31Å; S45-K63 PolarHBondContact O-NZ 2.83Å; K63-N65 WeakPolarHBondContact CE-OD1 3.41Å; K63-Q69 CarbonylContact C-O 3.52Å; K63-Q69 VanDerWaalsContact CA-O 3.32Å; K63-Q69 WeakPolarHBondContact CA-O 3.23Å; K63-V70 HydrophobicContact CB-CG2 4.03Å
64	D	95.9	Very high	94.6	Very high	41 Å²	41	50.4 Å²	50.4	22%	0.219	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	103	170.3	-176	-16.2	0	0	0	108.4	S66 K67 S68 Q69 F71	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 2.83Å; D64-S66 WeakPolarHBondContact OD1-CB 3.29Å; D64-S66 PolarHBondContact OD1-N 2.79Å; D64-S66 PolarHBondContact OD1-OG 3.02Å; D64-K67 HydrophobicContact CB-CB 4.34Å; D64-K67 PolarHBondContact O-N 3.47Å; D64-K67 PolarHBondContact OD1-N 3.41Å; D64-K67 WeakPolarHBondContact OD2-CD 3.43Å; D64-K67 WeakPolarHBondContact OD2-CE 3.45Å; D64-K67 WeakPolarHBondContact OD2-CG 3.37Å; D64-K67 IonicContact OD2-NZ 3.59Å; D64-S68 PolarHBondContact O-N 3.19Å; D64-Q69 PolarHBondContact N-O 2.73Å; D64-Q69 PolarHBondContact O-N 2.75Å; D64-F71 HydrophobicContact CB-CE2 3.86Å; D64-F71 HydrophobicContact CB-CZ 4.5Å
65	N	94.5	Very high	94.8	Very high	71 Å²	71	49.7 Å²	49.7	38%	0.38	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-31	-180	-66	-19.1	0	0	0	111.9	L21 T22 K63 K67 S68	L21-N65 VanDerWaalsContact CB-OD1 3.26Å; L21-N65 WeakPolarHBondContact CB-OD1 3.28Å; T22-N65 HydrophobicContact CG2-CB 4.33Å; K63-N65 WeakPolarHBondContact CE-OD1 3.41Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 2.94Å; N65-S68 PolarHBondContact O-N 2.8Å
66	S	93.9	Very high	95.1	Very high	105 Å²	105	51.8 Å²	51.8	73%	0.734	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-30.8	-178.6	74.7	0	0	0	0	111.9	D64	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 2.83Å; D64-S66 WeakPolarHBondContact OD1-CB 3.29Å; D64-S66 PolarHBondContact OD1-N 2.79Å; D64-S66 PolarHBondContact OD1-OG 3.02Å
67	K	95.1	Very high	95.2	Very high	127 Å²	127	47.5 Å²	47.5	55%	0.552	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.6	177.6	-63	-179.2	-169.7	161.5	0	113.5	D64 N65 Q69	D64-K67 HydrophobicContact CB-CB 4.34Å; D64-K67 PolarHBondContact O-N 3.47Å; D64-K67 PolarHBondContact OD1-N 3.41Å; D64-K67 WeakPolarHBondContact OD2-CD 3.43Å; D64-K67 WeakPolarHBondContact OD2-CE 3.45Å; D64-K67 WeakPolarHBondContact OD2-CG 3.37Å; D64-K67 IonicContact OD2-NZ 3.59Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 2.94Å; K67-Q69 HydrophobicContact CB-CB 4.24Å; K67-Q69 HydrophobicContact CB-CG 4.14Å; K67-Q69 PolarHBondContact O-N 2.85Å
68	S	94.8	Very high	95.2	Very high	46 Å²	46	48.8 Å²	48.8	32%	0.322	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	44.5	-171.3	-59.4	0	0	0	0	111.9	V16 D64 N65	V16-S68 WeakPolarHBondContact CG2-O 3.47Å; V16-S68 PolarHBondContact N-O 2.93Å; D64-S68 PolarHBondContact O-N 3.19Å; N65-S68 PolarHBondContact O-N 2.8Å
69	Q	96.9	Very high	95.1	Very high	47 Å²	47	52.4 Å²	52.4	22%	0.22	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.9	-176.1	-77.9	175.3	-11	0	0	112	T13 C14 T15 K63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.12Å; T13-Q69 HydrophobicContact CG2-CG 3.85Å; C14-Q69 CarbonylContact O-C 3.55Å; C14-Q69 WeakPolarHBondContact O-CA 3.13Å; T15-Q69 HydrophobicContact CG2-CG 4.3Å; T15-Q69 PolarHBondContact OG1-NE2 2.92Å; K63-Q69 CarbonylContact C-O 3.52Å; K63-Q69 VanDerWaalsContact CA-O 3.32Å; K63-Q69 WeakPolarHBondContact CA-O 3.23Å; D64-Q69 PolarHBondContact N-O 2.73Å; D64-Q69 PolarHBondContact O-N 2.75Å; K67-Q69 HydrophobicContact CB-CB 4.24Å; K67-Q69 HydrophobicContact CB-CG 4.14Å; K67-Q69 PolarHBondContact O-N 2.85Å; Q69-F71 HydrophobicContact CB-CE1 4.31Å; Q69-F71 HydrophobicContact CB-CE2 3.98Å; Q69-F71 HydrophobicContact CB-CZ 3.68Å
70	V	96.9	Very high	94.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.2	169.5	-178.2	0	0	0	0	108	C14 L21 V26 W28 I43 I61 S62 K63	C14-V70 HydrophobicContact CB-CB 4.45Å; C14-V70 PolarHBondContact N-O 2.84Å; C14-V70 PolarHBondContact O-N 3.38Å; L21-V70 HydrophobicContact CD1-CG2 3.82Å; L21-V70 HydrophobicContact CD2-CG2 3.69Å; L21-V70 HydrophobicContact CG-CG2 4.44Å; V26-V70 HydrophobicContact CB-CG1 4.31Å; V26-V70 HydrophobicContact CB-CG2 3.98Å; V26-V70 HydrophobicContact CG1-CB 4.39Å; V26-V70 HydrophobicContact CG1-CG1 4.27Å; V26-V70 HydrophobicContact CG1-CG2 4.29Å; V26-V70 HydrophobicContact CG2-CG2 3.77Å; W28-V70 HydrophobicContact CZ2-CB 4.47Å; W28-V70 HydrophobicContact CZ2-CG1 4.11Å; I43-V70 HydrophobicContact CG2-CG1 3.75Å; I43-V70 HydrophobicContact CG2-CG2 4.5Å; I61-V70 HydrophobicContact CG2-CG1 4.02Å; S62-V70 CarbonylContact O-C 3.59Å; S62-V70 WeakPolarHBondContact O-CA 3.36Å; S62-V70 WeakPolarHBondContact O-CG1 3.35Å; K63-V70 HydrophobicContact CB-CG2 4.03Å
71	F	97.1	Very high	94.8	Very high	53 Å²	53	53.8 Å²	53.8	23%	0.232	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.9	-178.2	-52.1	-84.9	0	0	0	109.4	I12 T13 I61 S62 D64 Q69	I12-F71 WeakPolarHBondContact O-CA 3.32Å; T13-F71 HydrophobicContact CG2-CD1 3.97Å; T13-F71 HydrophobicContact CG2-CE1 3.67Å; T13-F71 HydrophobicContact CG2-CZ 4.47Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.12Å; I61-F71 WeakPolarHBondContact CA-O 3.26Å; S62-F71 PolarHBondContact N-O 2.85Å; S62-F71 PolarHBondContact O-N 2.91Å; D64-F71 HydrophobicContact CB-CE2 3.86Å; D64-F71 HydrophobicContact CB-CZ 4.5Å; Q69-F71 HydrophobicContact CB-CE1 4.31Å; Q69-F71 HydrophobicContact CB-CE2 3.98Å; Q69-F71 HydrophobicContact CB-CZ 3.68Å
72	F	96.7	Very high	94.7	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.3	172.5	170.4	-91.4	0	0	0	108.9	S11 I12 W28 L40 L59 I61 M74 Y85	S11-F72 CarbonylContact C-O 3.59Å; S11-F72 WeakPolarHBondContact CA-O 3.42Å; I12-F72 HydrophobicContact CD1-CD1 4.28Å; I12-F72 HydrophobicContact CG1-CD1 4.47Å; I12-F72 PolarHBondContact N-O 2.81Å; I12-F72 PolarHBondContact O-N 3.38Å; W28-F72 HydrophobicContact CB-CD2 3.94Å; W28-F72 HydrophobicContact CB-CE2 4.22Å; W28-F72 HydrophobicContact CD2-CB 3.52Å; W28-F72 AromaticContact CD2-CD2 3.88Å; W28-F72 HydrophobicContact CD2-CD2 3.88Å; W28-F72 AromaticContact CD2-CG 3.87Å; W28-F72 HydrophobicContact CD2-CG 3.87Å; W28-F72 HydrophobicContact CE3-CB 3.8Å; W28-F72 HydrophobicContact CE3-CD2 4.32Å; W28-F72 HydrophobicContact CE3-CG 4.01Å; W28-F72 HydrophobicContact CG-CB 4.13Å; W28-F72 AromaticContact CG-CD2 3.67Å; W28-F72 HydrophobicContact CG-CD2 3.67Å; W28-F72 HydrophobicContact CG-CE2 4.43Å; W28-F72 HydrophobicContact CG-CG 4.18Å; W28-F72 HydrophobicContact CH2-CB 3.72Å; W28-F72 HydrophobicContact CZ2-CB 3.46Å; W28-F72 VanDerWaalsContact CZ2-CB 3.46Å; W28-F72 HydrophobicContact CZ3-CB 3.89Å; W28-F72 HydrophobicContact CZ3-CG 4.42Å; L40-F72 HydrophobicContact CB-CE2 4.28Å; L40-F72 HydrophobicContact CD1-CE2 3.89Å; L40-F72 HydrophobicContact CD1-CZ 3.68Å; L59-F72 HydrophobicContact CD1-CE2 4.14Å; L59-F72 HydrophobicContact CD2-CE1 4.32Å; L59-F72 HydrophobicContact CD2-CE2 3.46Å; L59-F72 VanDerWaalsContact CD2-CE2 3.46Å; L59-F72 HydrophobicContact CD2-CZ 3.31Å; L59-F72 HydrophobicContact CG-CE2 4.33Å; I61-F72 HydrophobicContact CG1-CD2 4.03Å; F72-M74 HydrophobicContact CE1-CB 3.94Å; F72-M74 HydrophobicContact CZ-CB 4.19Å; F72-M74 HydrophobicContact CZ-CE 3.99Å; F72-Y85 AromaticContact CE1-CD1 3.92Å; F72-Y85 HydrophobicContact CE1-CD1 3.92Å; F72-Y85 AromaticContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CZ-CD1 4.25Å; F72-Y85 HydrophobicContact CZ-CE1 4.08Å
73	Q	95.6	Very high	94.7	Very high	80 Å²	80	52.4 Å²	52.4	37%	0.374	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.8	175.9	-174.5	170.2	4.4	0	0	110	L10 L59 S60 N75	L10-Q73 CarbonylContact O-C 3.55Å; L10-Q73 VanDerWaalsContact O-CA 3.27Å; L10-Q73 WeakPolarHBondContact O-CA 3.46Å; L59-Q73 CarbonylContact C-O 3.56Å; L59-Q73 WeakPolarHBondContact CA-O 3.39Å; S60-Q73 PolarHBondContact N-O 2.83Å; S60-Q73 PolarHBondContact O-N 3.35Å; Q73-N75 PolarHBondContact NE2-OD1 2.87Å
74	M	94.8	Very high	94.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122	170.6	-177.5	-179	-77	0	0	109	S9 L10 F55 R58 L59 F72 L77 D81 Y85	S9-M74 CarbonylContact C-O 3.59Å; S9-M74 VanDerWaalsContact CA-O 3.29Å; S9-M74 WeakPolarHBondContact CA-O 3.4Å; L10-M74 PolarHBondContact N-O 2.87Å; L10-M74 PolarHBondContact O-N 3.02Å; F55-M74 HydrophobicContact CD1-CE 4.27Å; R58-M74 CarbonylContact O-C 3.45Å; R58-M74 WeakPolarHBondContact O-CA 3.45Å; L59-M74 HydrophobicContact CD2-CB 3.85Å; L59-M74 HydrophobicContact CD2-CE 3.47Å; L59-M74 VanDerWaalsContact CD2-CE 3.47Å; L59-M74 HydrophobicContact CD2-CG 3.92Å; F72-M74 HydrophobicContact CE1-CB 3.94Å; F72-M74 HydrophobicContact CZ-CB 4.19Å; F72-M74 HydrophobicContact CZ-CE 3.99Å; M74-L77 HydrophobicContact CB-CD2 4.31Å; M74-L77 HydrophobicContact CG-CD2 4.01Å; M74-L77 HydrophobicContact SD-CD2 3.7Å; M74-D81 HydrophobicContact SD-CB 3.95Å; M74-D81 VanDerWaalsContact SD-CG 3.51Å; M74-Y85 HydrophobicContact CE-CE1 4.36Å
75	N	94	Very high	94.8	Very high	57 Å²	57	51.3 Å²	51.3	31%	0.305	27%	0.273	S	S	.	.			trans	-96.2	159.2	177.4	-62	-43	0	0	0	111.1	S9 R58 Q73 L77	S9-N75 WeakPolarHBondContact CB-OD1 3.32Å; S9-N75 PolarHBondContact OG-OD1 2.92Å; R58-N75 WeakPolarHBondContact CB-O 3.35Å; R58-N75 PolarHBondContact O-N 2.95Å; Q73-N75 PolarHBondContact NE2-OD1 2.87Å; N75-L77 PolarHBondContact O-N 2.03Å
76	S	92.5	Very high	94.9	Very high	67 Å²	67	49.8 Å²	49.8	47%	0.469	26%	0.262	S	S	.	.	S	Bend	trans	52.7	57.6	177	-57.9	0	0	0	0	111.9	Q8 R58	Q8-S76 PolarHBondContact O-N 3.25Å; R58-S76 PolarHBondContact NH1-O 2.7Å
77	L	92.3	Very high	94.9	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.234	C	C	.	.			trans	-57.9	143.3	179.6	-71.3	167.7	0	0	0	111.6	V4 P6 S7 Q8 L10 M74 N75 D81 V110	V4-L77 HydrophobicContact CB-CD1 3.93Å; V4-L77 HydrophobicContact CG1-CD1 4.36Å; V4-L77 HydrophobicContact CG2-CD1 3.86Å; P6-L77 WeakPolarHBondContact CA-O 3.29Å; S7-L77 PolarHBondContact N-O 2.8Å; Q8-L77 VanDerWaalsContact O-CG 3.29Å; Q8-L77 WeakPolarHBondContact O-CG 3.06Å; Q8-L77 PolarHBondContact O-N 2.7Å; L10-L77 HydrophobicContact CB-CD1 3.83Å; L10-L77 HydrophobicContact CB-CD2 3.91Å; L10-L77 HydrophobicContact CB-CG 4.26Å; L10-L77 HydrophobicContact CD2-CD2 4.34Å; M74-L77 HydrophobicContact CB-CD2 4.31Å; M74-L77 HydrophobicContact CG-CD2 4.01Å; M74-L77 HydrophobicContact SD-CD2 3.7Å; N75-L77 PolarHBondContact O-N 2.03Å; L77-D81 HydrophobicContact CD2-CB 4.14Å; L77-V110 HydrophobicContact CB-CG1 4.21Å; L77-V110 HydrophobicContact CB-CG2 4.21Å; L77-V110 HydrophobicContact CD1-CG2 4.4Å; L77-V110 HydrophobicContact CD2-CG2 4.37Å
78	R	92.7	Very high	94.9	Very high	136 Å²	136	39.8 Å²	39.8	51%	0.513	21%	0.208	S	C	.	.			trans	-120.3	157.2	176.9	-62.4	172	-175.7	-179.5	-0.6	108.7	N80 D81 V110	R78-N80 WeakPolarHBondContact CB-OD1 3.41Å; R78-N80 PolarHBondContact O-N 2.83Å; R78-N80 VanDerWaalsContact O-N 3.14Å; R78-D81 PolarHBondContact N-OD2 2.82Å; R78-D81 VanDerWaalsContact O-CB 3.28Å; R78-D81 WeakPolarHBondContact O-CB 3.25Å; R78-D81 PolarHBondContact O-N 3.27Å; R78-V110 WeakPolarHBondContact O-CB 3.37Å; R78-V110 WeakPolarHBondContact O-CG1 3.36Å
79	T	91.5	Very high	94.7	Very high	91 Å²	91	38.8 Å²	38.8	56%	0.558	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-55.7	-33.7	177.6	49.4	0	0	0	0	112.6	D81 T82	T79-D81 PolarHBondContact O-N 2.86Å; T79-T82 WeakPolarHBondContact O-CB 3.36Å; T79-T82 PolarHBondContact O-N 2.85Å; T79-T82 PolarHBondContact O-OG1 3.34Å
80	N	91.1	Very high	94	Very high	95 Å²	95	37.9 Å²	37.9	51%	0.508	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-73.4	-3.8	175.9	74.1	-10.1	0	0	0	114.8	R78	R78-N80 WeakPolarHBondContact CB-OD1 3.41Å; R78-N80 PolarHBondContact O-N 2.83Å; R78-N80 VanDerWaalsContact O-N 3.14Å
81	D	93.8	Very high	92.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-85.6	0.7	169.9	-60.4	-45.2	0	0	0	112.1	R30 R58 M74 L77 R78 T79 A83 Y85 V110	R30-D81 IonicContact NH1-OD1 3.34Å; R30-D81 PolarHBondContact NH1-OD1 3.29Å; R58-D81 IonicContact CZ-OD1 3.26Å; R58-D81 IonicContact CZ-OD2 2.65Å; R58-D81 IonicContact NH1-OD1 3.43Å; R58-D81 IonicContact NH1-OD2 2.94Å; R58-D81 PolarHBondContact NH1-OD2 2.97Å; R58-D81 IonicContact NH2-OD1 2.7Å; R58-D81 PolarHBondContact NH2-OD1 2.87Å; R58-D81 IonicContact NH2-OD2 3.53Å; R58-D81 PolarHBondContact NH2-OD2 2.99Å; M74-D81 HydrophobicContact SD-CB 3.95Å; M74-D81 VanDerWaalsContact SD-CG 3.51Å; L77-D81 HydrophobicContact CD2-CB 4.14Å; R78-D81 PolarHBondContact N-OD2 2.82Å; R78-D81 VanDerWaalsContact O-CB 3.28Å; R78-D81 WeakPolarHBondContact O-CB 3.25Å; R78-D81 PolarHBondContact O-N 3.27Å; T79-D81 PolarHBondContact O-N 2.86Å; D81-A83 PolarHBondContact O-N 2.86Å; D81-Y85 WeakPolarHBondContact O-CE2 3.39Å; D81-Y85 PolarHBondContact O-OH 3.04Å; D81-V110 HydrophobicContact CB-CG2 4.36Å
82	T	95.6	Very high	91	Very high	33 Å²	33	42.1 Å²	42.1	20%	0.202	22%	0.221	C	C	.	.			trans	-60.8	114.9	167.8	-63.2	0	0	0	0	110.2	S32 T79 V108 T109 V110	S32-T82 PolarHBondContact OG-O 3.17Å; T79-T82 WeakPolarHBondContact O-CB 3.36Å; T79-T82 PolarHBondContact O-N 2.85Å; T79-T82 PolarHBondContact O-OG1 3.34Å; T82-V108 WeakPolarHBondContact CA-O 3.32Å; T82-T109 HydrophobicContact CG2-CG2 4.46Å; T82-V110 PolarHBondContact OG1-N 3.26Å; T82-V110 PolarHBondContact OG1-O 3.44Å
83	A	96.4	Very high	89.2	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.033	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	168.7	-175.4	0	0	0	0	0	110.9	R30 Q31 D81 Y85 V108	R30-A83 HydrophobicContact CB-CB 3.92Å; R30-A83 HydrophobicContact CG-CB 4.35Å; Q31-A83 VanDerWaalsContact O-CA 3.3Å; Q31-A83 WeakPolarHBondContact O-CA 3.02Å; Q31-A83 VanDerWaalsContact O-CB 3.32Å; Q31-A83 WeakPolarHBondContact O-CB 3.48Å; D81-A83 PolarHBondContact O-N 2.86Å; A83-Y85 HydrophobicContact CB-CD2 4.3Å; A83-Y85 HydrophobicContact CB-CE2 3.81Å; A83-Y85 WeakPolarHBondContact O-CD2 2.99Å; A83-V108 PolarHBondContact N-O 3.38Å; A83-V108 VanDerWaalsContact N-O 3.13Å; A83-V108 PolarHBondContact O-N 3.37Å
84	I	97.2	Very high	87.1	Confident	60 Å²	60	53.9 Å²	53.9	31%	0.308	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.7	160.3	-52.4	175	0	0	0	108	R30 Q31 Y86 T106	R30-I84 CarbonylContact C-O 3.46Å; R30-I84 WeakPolarHBondContact CA-O 3.09Å; Q31-I84 PolarHBondContact N-O 3.15Å; Q31-I84 PolarHBondContact O-N 2.98Å; I84-Y86 HydrophobicContact CB-CE2 3.8Å; I84-Y86 HydrophobicContact CG2-CD1 4.49Å; I84-Y86 HydrophobicContact CG2-CD2 4.39Å; I84-Y86 HydrophobicContact CG2-CE1 3.79Å; I84-Y86 HydrophobicContact CG2-CE2 3.66Å; I84-Y86 VanDerWaalsContact CG2-OH 3.31Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.27Å; I84-Y86 WeakPolarHBondContact O-CE2 3.36Å; I84-T106 CarbonylContact C-O 3.59Å; I84-T106 WeakPolarHBondContact CA-O 3.46Å
85	Y	96.9	Very high	85.2	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.4	-179.2	-71.1	-100.6	0	0	0	110.4	L10 I12 V29 R30 L40 F72 M74 D81 A83 G105 T106 V108	L10-Y85 HydrophobicContact CD2-CE2 4.34Å; I12-Y85 VanDerWaalsContact CD1-CB 3.44Å; I12-Y85 HydrophobicContact CD1-CD1 4.15Å; I12-Y85 HydrophobicContact CD1-CD2 4.15Å; I12-Y85 HydrophobicContact CD1-CG 3.66Å; V29-Y85 CarbonylContact O-C 3.56Å; R30-Y85 HydrophobicContact CB-CD1 3.94Å; R30-Y85 HydrophobicContact CB-CE1 3.95Å; R30-Y85 HydrophobicContact CB-CG 4.31Å; L40-Y85 HydrophobicContact CD1-CD1 3.79Å; L40-Y85 HydrophobicContact CD1-CE1 3.71Å; F72-Y85 AromaticContact CE1-CD1 3.92Å; F72-Y85 HydrophobicContact CE1-CD1 3.92Å; F72-Y85 AromaticContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CZ-CD1 4.25Å; F72-Y85 HydrophobicContact CZ-CE1 4.08Å; M74-Y85 HydrophobicContact CE-CE1 4.36Å; D81-Y85 WeakPolarHBondContact O-CE2 3.39Å; D81-Y85 PolarHBondContact O-OH 3.04Å; A83-Y85 HydrophobicContact CB-CD2 4.3Å; A83-Y85 HydrophobicContact CB-CE2 3.81Å; A83-Y85 WeakPolarHBondContact O-CD2 2.99Å; Y85-G105 CarbonylContact O-C 3.58Å; Y85-G105 VanDerWaalsContact O-CA 3.23Å; Y85-G105 WeakPolarHBondContact O-CA 3.26Å; Y85-T106 PolarHBondContact N-O 3.06Å; Y85-T106 PolarHBondContact O-N 3.3Å; Y85-V108 HydrophobicContact CD2-CB 4.03Å; Y85-V108 HydrophobicContact CD2-CG2 3.77Å; Y85-V108 HydrophobicContact CE2-CB 3.86Å; Y85-V108 HydrophobicContact CE2-CG2 4.04Å
86	Y	96.4	Very high	83.4	Confident	39 Å²	39	56.7 Å²	56.7	15%	0.153	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.2	-177.8	-55.5	-87.6	0	0	0	110.1	W28 V29 Q31 L37 I84 W102	W28-Y86 WeakPolarHBondContact CA-O 3.36Å; V29-Y86 PolarHBondContact N-O 2.86Å; V29-Y86 PolarHBondContact O-N 3.14Å; Q31-Y86 HydrophobicContact CB-CE2 3.91Å; L37-Y86 HydrophobicContact CD2-CE2 4.49Å; I84-Y86 HydrophobicContact CB-CE2 3.8Å; I84-Y86 HydrophobicContact CG2-CD1 4.49Å; I84-Y86 HydrophobicContact CG2-CD2 4.39Å; I84-Y86 HydrophobicContact CG2-CE1 3.79Å; I84-Y86 HydrophobicContact CG2-CE2 3.66Å; I84-Y86 VanDerWaalsContact CG2-OH 3.31Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.27Å; I84-Y86 WeakPolarHBondContact O-CE2 3.36Å; Y86-W102 HydrophobicContact CD1-CE3 4.46Å; Y86-W102 HydrophobicContact CG-CE3 4.14Å; Y86-W102 HydrophobicContact CG-CZ3 4.28Å
87	C	95.2	Very high	82	Confident	19 Å²	19	62.6 Å²	62.6	13%	0.128	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	140.5	159.3	57.9	0	0	0	0	109.2	C14 V26 H27 W28 G103	C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.35Å; C14-C87 WeakPolarHBondContact SG-CB 3.4Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.35Å; V26-C87 HydrophobicContact CG1-CB 3.88Å; H27-C87 CarbonylContact O-C 3.58Å; H27-C87 VanDerWaalsContact O-CA 3.26Å; H27-C87 WeakPolarHBondContact O-CA 3.34Å; W28-C87 HydrophobicContact CD2-CB 4.42Å; W28-C87 HydrophobicContact CE3-CB 4.26Å; W28-C87 HydrophobicContact CH2-CB 4.16Å; W28-C87 HydrophobicContact CZ2-CB 4.27Å; W28-C87 HydrophobicContact CZ3-CB 4.14Å; C87-G103 PolarHBondContact O-N 3.44Å
88	A	93.9	Very high	80.7	Confident	2 Å²	2	64 Å²	64	2%	0.017	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.7	178	0	0	0	0	0	111.2	V26 H27 M99 Y101 W102	V26-A88 CarbonylContact C-O 3.43Å; V26-A88 WeakPolarHBondContact CA-O 3.35Å; H27-A88 HydrophobicContact CB-CB 4.46Å; H27-A88 PolarHBondContact N-O 2.87Å; H27-A88 PolarHBondContact O-N 3.01Å; A88-M99 HydrophobicContact CB-CB 4.36Å; A88-M99 HydrophobicContact CB-SD 4.24Å; A88-Y101 CarbonylContact C-O 3.59Å; A88-Y101 WeakPolarHBondContact CA-O 3.49Å; A88-W102 HydrophobicContact CB-CD2 3.8Å; A88-W102 HydrophobicContact CB-CE3 4.11Å; A88-W102 HydrophobicContact CB-CG 4.18Å; A88-W102 HydrophobicContact CB-CH2 4.44Å; A88-W102 HydrophobicContact CB-CZ2 4.16Å; A88-W102 HydrophobicContact CB-CZ3 4.43Å
89	R	91.2	Very high	80	Confident	26 Å²	26	61 Å²	61	10%	0.098	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	136.7	177.4	-175.2	176.5	83.5	168.8	15.4	110.2	F19 D91 M99 D100 Y101	F19-R89 VanDerWaalsContact CD1-CD 3.5Å; F19-R89 HydrophobicContact CD1-CG 4.33Å; F19-R89 HydrophobicContact CD2-CG 4.05Å; F19-R89 HydrophobicContact CE1-CB 4.05Å; F19-R89 HydrophobicContact CE1-CG 4.09Å; F19-R89 HydrophobicContact CE2-CB 4.34Å; F19-R89 HydrophobicContact CE2-CG 3.78Å; F19-R89 VanDerWaalsContact CG-CD 3.44Å; F19-R89 HydrophobicContact CG-CG 4.3Å; F19-R89 HydrophobicContact CZ-CB 3.85Å; F19-R89 HydrophobicContact CZ-CG 3.79Å; R89-D91 IonicContact CZ-OD2 2.87Å; R89-D91 IonicContact NE-OD2 3.83Å; R89-D91 IonicContact NH2-OD2 3.85Å; R89-D91 PolarHBondContact NH2-OD2 2.82Å; R89-M99 WeakPolarHBondContact O-CA 3.37Å; R89-D100 IonicContact CZ-OD1 2.9Å; R89-D100 IonicContact CZ-OD2 3.62Å; R89-D100 IonicContact NE-OD1 2.7Å; R89-D100 PolarHBondContact NE-OD1 2.94Å; R89-D100 IonicContact NE-OD2 3.61Å; R89-D100 IonicContact NH2-OD1 2.86Å; R89-D100 IonicContact NH2-OD2 3.36Å; R89-D100 PolarHBondContact NH2-OD2 3.32Å; R89-Y101 PolarHBondContact N-O 3.06Å; R89-Y101 VanDerWaalsContact NE-CD2 3.34Å; R89-Y101 VanDerWaalsContact NH2-CE2 3.27Å
90	K	82.4	Confident	79.3	Confident	27 Å²	27	59.9 Å²	59.9	12%	0.117	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111	160.4	-169.7	-177.2	175.4	173.9	0	108.2	G25 H27 F44 Y97	G25-K90 PolarHBondContact N-O 2.8Å; G25-K90 PolarHBondContact O-N 2.8Å; H27-K90 WeakPolarHBondContact NE2-CB 3.49Å; H27-K90 WeakPolarHBondContact NE2-CG 3.44Å; F44-K90 HydrophobicContact CD1-CD 4.09Å; F44-K90 HydrophobicContact CE1-CD 4.03Å; F44-K90 VanDerWaalsContact CE1-NZ 3.3Å; K90-Y97 VanDerWaalsContact NZ-CE1 3.33Å
91	D	68.9	Low	79.1	Confident	39 Å²	39	61.8 Å²	61.8	21%	0.209	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	139.9	166	-149	-19.1	0	0	0	110.8	R89 T93 A98	R89-D91 IonicContact CZ-OD2 2.87Å; R89-D91 IonicContact NE-OD2 3.83Å; R89-D91 IonicContact NH2-OD2 3.85Å; R89-D91 PolarHBondContact NH2-OD2 2.82Å; D91-T93 HydrophobicContact CB-CG2 4.35Å; D91-A98 PolarHBondContact N-O 2.92Å
92	V	62	Low	79	Confident	103 Å²	103	66.7 Å²	66.7	62%	0.624	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	89.4	171.3	-178	0	0	0	0	105.9
93	T	59.1	Low	78.8	Confident	71 Å²	71	66.5 Å²	66.5	44%	0.436	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	160.1	172.9	59.5	0	0	0	0	109.8	D91 G95 G96	D91-T93 HydrophobicContact CB-CG2 4.35Å; T93-G95 PolarHBondContact O-N 3.35Å; T93-G96 PolarHBondContact O-N 2.69Å; T93-G96 PolarHBondContact OG1-O 3.02Å
94	Y	52.2	Low	78.6	Confident	256 Å²	256	75.4 Å²	75.4	100%	1.004	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	20.6	-175.4	-82.2	-88.6	0	0	0	115.9
95	G	54.5	Low	78.5	Confident	80 Å²	80	73.8 Å²	73.8	83%	0.825	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-164	6.2	178.5	0	0	0	0	0	116.6	T93	T93-G95 PolarHBondContact O-N 3.35Å
96	G	56.4	Low	78.4	Confident	36 Å²	36	75.1 Å²	75.1	37%	0.371	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	174.1	177.8	0	0	0	0	0	116.2	T93	T93-G96 PolarHBondContact O-N 2.69Å; T93-G96 PolarHBondContact OG1-O 3.02Å
97	Y	62.9	Low	78.4	Confident	191 Å²	191	76.5 Å²	76.5	75%	0.749	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.2	171.9	-57.9	-60.7	0	0	0	109.6	K90	K90-Y97 VanDerWaalsContact NZ-CE1 3.33Å
98	A	65.5	Low	78.3	Confident	34 Å²	34	75.7 Å²	75.7	28%	0.281	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.3	176.1	0	0	0	0	0	111.3	D91 D100	D91-A98 PolarHBondContact N-O 2.92Å; A98-D100 HydrophobicContact CB-CB 4.42Å
99	M	77.6	Confident	78.4	Confident	74 Å²	74	78.4 Å²	78.4	37%	0.365	42%	0.421	S	S	.	.			trans	-101.6	74.1	165	-66.3	-167.9	-165.9	0	0	109.2	H27 A88 R89 W102	H27-M99 HydrophobicContact CB-CE 4Å; H27-M99 HydrophobicContact CB-SD 4.26Å; H27-M99 VanDerWaalsContact CG-CE 3.49Å; H27-M99 WeakPolarHBondContact ND1-CE 3.42Å; A88-M99 HydrophobicContact CB-CB 4.36Å; A88-M99 HydrophobicContact CB-SD 4.24Å; R89-M99 WeakPolarHBondContact O-CA 3.37Å; M99-W102 HydrophobicContact CB-CZ2 4.09Å; M99-W102 PolarHBondContact O-NE1 3.27Å; M99-W102 HydrophobicContact SD-CH2 4.31Å; M99-W102 HydrophobicContact SD-CZ2 3.87Å
100	D	76.6	Confident	78.4	Confident	67 Å²	67	77.4 Å²	77.4	36%	0.358	42%	0.418	S	S	.	.			trans	-88.1	-22.1	-166.7	53	-6.7	0	0	0	114.2	R89 A98	R89-D100 IonicContact CZ-OD1 2.9Å; R89-D100 IonicContact CZ-OD2 3.62Å; R89-D100 IonicContact NE-OD1 2.7Å; R89-D100 PolarHBondContact NE-OD1 2.94Å; R89-D100 IonicContact NE-OD2 3.61Å; R89-D100 IonicContact NH2-OD1 2.86Å; R89-D100 IonicContact NH2-OD2 3.36Å; R89-D100 PolarHBondContact NH2-OD2 3.32Å; A98-D100 HydrophobicContact CB-CB 4.42Å
101	Y	85.9	Confident	78.6	Confident	135 Å²	135	78.2 Å²	78.2	53%	0.529	43%	0.427	S	S	.	.			trans	-123.2	128.4	175.2	-70.9	-92.3	0	0	0	111.4	A88 R89	A88-Y101 CarbonylContact C-O 3.59Å; A88-Y101 WeakPolarHBondContact CA-O 3.49Å; R89-Y101 PolarHBondContact N-O 3.06Å; R89-Y101 VanDerWaalsContact NE-CD2 3.34Å; R89-Y101 VanDerWaalsContact NH2-CE2 3.27Å
102	W	91.9	Very high	79	Confident	103 Å²	103	83.3 Å²	83.3	39%	0.39	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-119.2	137.5	178.8	-70.3	70.6	0	0	0	110.6	V29 L37 Y86 A88 M99	V29-W102 HydrophobicContact CB-CH2 4.09Å; V29-W102 HydrophobicContact CB-CZ3 3.89Å; V29-W102 HydrophobicContact CG1-CH2 4.02Å; V29-W102 HydrophobicContact CG1-CZ3 4Å; V29-W102 HydrophobicContact CG2-CH2 3.83Å; V29-W102 HydrophobicContact CG2-CZ3 4.05Å; L37-W102 HydrophobicContact CD1-CH2 3.8Å; L37-W102 HydrophobicContact CD1-CZ2 4.47Å; L37-W102 HydrophobicContact CD1-CZ3 4.24Å; Y86-W102 HydrophobicContact CD1-CE3 4.46Å; Y86-W102 HydrophobicContact CG-CE3 4.14Å; Y86-W102 HydrophobicContact CG-CZ3 4.28Å; A88-W102 HydrophobicContact CB-CD2 3.8Å; A88-W102 HydrophobicContact CB-CE3 4.11Å; A88-W102 HydrophobicContact CB-CG 4.18Å; A88-W102 HydrophobicContact CB-CH2 4.44Å; A88-W102 HydrophobicContact CB-CZ2 4.16Å; A88-W102 HydrophobicContact CB-CZ3 4.43Å; M99-W102 HydrophobicContact CB-CZ2 4.09Å; M99-W102 PolarHBondContact O-NE1 3.27Å; M99-W102 HydrophobicContact SD-CH2 4.31Å; M99-W102 HydrophobicContact SD-CZ2 3.87Å
103	G	91.8	Very high	79.8	Confident	28 Å²	28	82.4 Å²	82.4	29%	0.289	46%	0.458	S	S	.	.			trans	-68.5	161	166.8	0	0	0	0	0	111.4	C87 G105	C87-G103 PolarHBondContact O-N 3.44Å; G103-G105 PolarHBondContact O-N 3.35Å
104	Q	92.9	Very high	80.9	Confident	191 Å²	191	82.9 Å²	82.9	89%	0.893	46%	0.459	S	S	*	.			trans	-61.4	-14.4	179.1	-67	-63.9	-37.4	0	0	114.1
105	G	93.8	Very high	82.5	Confident	26 Å²	26	73.3 Å²	73.3	27%	0.268	43%	0.429	S	S	.	.			trans	87.3	157.5	-176.4	0	0	0	0	0	112.3	Y85 G103	Y85-G105 CarbonylContact O-C 3.58Å; Y85-G105 VanDerWaalsContact O-CA 3.23Å; Y85-G105 WeakPolarHBondContact O-CA 3.26Å; G103-G105 PolarHBondContact O-N 3.35Å
106	T	95.6	Very high	84.2	Confident	30 Å²	30	72.9 Å²	72.9	18%	0.184	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	113.3	-179.8	-75.5	0	0	0	0	108.1	P1 I12 I84 Y85 V108	P1-T106 HydrophobicContact CB-CG2 3.4Å; P1-T106 VanDerWaalsContact CB-CG2 3.4Å; P1-T106 HydrophobicContact CG-CG2 3.28Å; I12-T106 HydrophobicContact CD1-CG2 3.99Å; I12-T106 HydrophobicContact CG1-CG2 4.29Å; I12-T106 HydrophobicContact CG2-CG2 4.31Å; I84-T106 CarbonylContact C-O 3.59Å; I84-T106 WeakPolarHBondContact CA-O 3.46Å; Y85-T106 PolarHBondContact N-O 3.06Å; Y85-T106 PolarHBondContact O-N 3.3Å; T106-V108 HydrophobicContact CG2-CG2 4.06Å
107	S	95.6	Very high	85.9	Confident	69 Å²	69	75.3 Å²	75.3	48%	0.483	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.1	174.7	-172	0	0	0	0	110.4	P1	P1-S107 CarbonylContact C-O 3.54Å
108	V	94.6	Very high	87.4	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.006	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.9	174.1	-179.7	0	0	0	0	108.6	P1 V4 L10 I12 T82 A83 Y85 T106 V110	P1-V108 HydrophobicContact CB-CG2 4.19Å; V4-V108 HydrophobicContact CG2-CG1 3.57Å; L10-V108 HydrophobicContact CD1-CG1 4.2Å; L10-V108 HydrophobicContact CD1-CG2 3.89Å; L10-V108 HydrophobicContact CD2-CB 4.47Å; L10-V108 HydrophobicContact CD2-CG1 4.07Å; L10-V108 HydrophobicContact CD2-CG2 3.95Å; I12-V108 HydrophobicContact CD1-CG2 4.29Å; T82-V108 WeakPolarHBondContact CA-O 3.32Å; A83-V108 PolarHBondContact N-O 3.38Å; A83-V108 VanDerWaalsContact N-O 3.13Å; A83-V108 PolarHBondContact O-N 3.37Å; Y85-V108 HydrophobicContact CD2-CB 4.03Å; Y85-V108 HydrophobicContact CD2-CG2 3.77Å; Y85-V108 HydrophobicContact CE2-CB 3.86Å; Y85-V108 HydrophobicContact CE2-CG2 4.04Å; T106-V108 HydrophobicContact CG2-CG2 4.06Å; V108-V110 HydrophobicContact CG1-CG2 4.38Å
109	T	94.4	Very high	89	Confident	60 Å²	60	69.9 Å²	69.9	37%	0.368	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.5	177.1	-55.5	0	0	0	0	109	L3 V4 T82	L3-T109 WeakPolarHBondContact CA-O 3.46Å; L3-T109 HydrophobicContact CD1-CG2 3.82Å; V4-T109 WeakPolarHBondContact CG2-O 3.2Å; V4-T109 PolarHBondContact N-O 2.92Å; T82-T109 HydrophobicContact CG2-CG2 4.46Å
110	V	91.3	Very high	89.9	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.03	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	108.7	175.9	-172.9	0	0	0	0	108.7	V4 P6 L77 R78 D81 T82 V108	V4-V110 HydrophobicContact CG2-CG2 3.84Å; V4-V110 VanDerWaalsContact O-CA 3.28Å; V4-V110 WeakPolarHBondContact O-CA 3.4Å; P6-V110 HydrophobicContact CG-CG1 4.27Å; L77-V110 HydrophobicContact CB-CG1 4.21Å; L77-V110 HydrophobicContact CB-CG2 4.21Å; L77-V110 HydrophobicContact CD1-CG2 4.4Å; L77-V110 HydrophobicContact CD2-CG2 4.37Å; R78-V110 WeakPolarHBondContact O-CB 3.37Å; R78-V110 WeakPolarHBondContact O-CG1 3.36Å; D81-V110 HydrophobicContact CB-CG2 4.36Å; T82-V110 PolarHBondContact OG1-N 3.26Å; T82-V110 PolarHBondContact OG1-O 3.44Å; V108-V110 HydrophobicContact CG1-CG2 4.38Å
111	S	87.6	Confident	91	Very high	44 Å²	44	69.8 Å²	69.8	31%	0.308	40%	0.397	S	S	.	.			trans	-136.6	151.3	177.5	71.8	0	0	0	0	111.5	L3 V4 P6	L3-S111 WeakPolarHBondContact CD1-OG 3.42Å; V4-S111 PolarHBondContact O-N 2.59Å; P6-S111 WeakPolarHBondContact CD-O 3.33Å
112	S	76.4	Confident	91.4	Very high	146 Å²	146	63.9 Å²	63.9	100%	1.021	39%	0.385	S	S	*	.			trans	-72.6	0	171.8	56.6	0	0	0	0	111.8

Retrieved 112 of 112 residues in 35.2 ms (Link to these results)

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