X5J546_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J546, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J546_MOUSE|X5J546
PGLVQPSQSLSITCTVSGFSLTNSGVHWVRQSPGKGLEWLGVIFSGGTTDYNAAFISRLSISKDNSKSQVFFQMNSLQTNDTAIYYCARKDVTYGGYAMDYWGQGTSVTVSS
					

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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	58.3	Low	84	Confident	120 Å²	120	73.9 Å²	73.9	78%	0.779	46%	0.458	S	S	*	.				0	133.1	0	-7.4	27.4	0	0	0	109.3	T106 V108	P1-T106 HydrophobicContact CB-CG2 3.25Å; P1-T106 HydrophobicContact CG-CG2 3.2Å; P1-V108 HydrophobicContact CB-CG2 4.31Å
2	G	72.8	Confident	85	Confident	43 Å²	43	68.5 Å²	68.5	44%	0.443	42%	0.423	S	S	.	.			trans	-151.5	-159.1	-160.9	0	0	0	0	0	112.8	V4	G2-V4 PolarHBondContact O-N 3.47Å
3	L	79.9	Confident	85.9	Confident	126 Å²	126	68.5 Å²	68.5	66%	0.66	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	124.8	178.5	-166.1	66.4	0	0	0	110.4	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.45Å; L3-T109 HydrophobicContact CD1-CG2 3.82Å; L3-S111 WeakPolarHBondContact CD1-OG 3.43Å
4	V	84.2	Confident	86.5	Confident	22 Å²	22	64.4 Å²	64.4	13%	0.133	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.8	177.9	-81.1	0	0	0	0	109	G2 L77 V108 T109 V110 S111	G2-V4 PolarHBondContact O-N 3.47Å; V4-L77 HydrophobicContact CB-CD1 3.94Å; V4-L77 HydrophobicContact CG1-CD1 4.45Å; V4-L77 HydrophobicContact CG2-CD1 3.77Å; V4-V108 HydrophobicContact CG2-CG1 3.65Å; V4-T109 VanDerWaalsContact CG2-O 3.29Å; V4-T109 WeakPolarHBondContact CG2-O 3.17Å; V4-T109 PolarHBondContact N-O 2.59Å; V4-V110 HydrophobicContact CG2-CB 4.42Å; V4-V110 HydrophobicContact CG2-CG2 3.77Å; V4-V110 VanDerWaalsContact O-CA 3.27Å; V4-V110 WeakPolarHBondContact O-CA 3.39Å; V4-S111 PolarHBondContact O-N 3.49Å; V4-S111 VanDerWaalsContact O-N 3.15Å
5	Q	85.6	Confident	87.1	Confident	101 Å²	101	66.2 Å²	66.2	47%	0.472	41%	0.409	S	S	.	.			trans	-85.6	154.8	177.7	-72.2	-169.3	-26.1	0	0	111.2	Q8	Q5-Q8 HydrophobicContact CB-CG 4.21Å; Q5-Q8 WeakPolarHBondContact O-CB 3.33Å; Q5-Q8 PolarHBondContact O-N 3Å
6	P	87.1	Confident	87.3	Confident	53 Å²	53	62.9 Å²	62.9	34%	0.344	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	151.2	170.2	-24.9	34.2	0	0	0	112	Q8 L77 T79 V110	P6-Q8 PolarHBondContact O-N 3.31Å; P6-Q8 VanDerWaalsContact O-N 3.09Å; P6-L77 WeakPolarHBondContact CA-O 3.25Å; P6-T79 HydrophobicContact CG-CG2 4.41Å; P6-V110 HydrophobicContact CG-CG1 4.22Å
7	S	87.5	Confident	87.4	Confident	102 Å²	102	65.3 Å²	65.3	71%	0.713	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	-7.5	-177.5	-50.6	0	0	0	0	116	L77	S7-L77 PolarHBondContact N-O 2.03Å
8	Q	90.5	Very high	87.2	Confident	90 Å²	90	65.9 Å²	65.9	42%	0.421	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-74.4	169.2	169.8	-64.3	-173.8	-26	0	0	111.4	Q5 P6 S76 L77	Q5-Q8 HydrophobicContact CB-CG 4.21Å; Q5-Q8 WeakPolarHBondContact O-CB 3.33Å; Q5-Q8 PolarHBondContact O-N 3Å; P6-Q8 PolarHBondContact O-N 3.31Å; P6-Q8 VanDerWaalsContact O-N 3.09Å; Q8-S76 PolarHBondContact O-N 3.25Å; Q8-L77 VanDerWaalsContact O-CG 3.26Å; Q8-L77 WeakPolarHBondContact O-CG 3Å; Q8-L77 PolarHBondContact O-N 3.29Å
9	S	91.8	Very high	87.1	Confident	64 Å²	64	64.5 Å²	64.5	45%	0.448	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-103.5	139.8	173	-62.1	0	0	0	0	110.8	M74 N75	S9-M74 CarbonylContact C-O 3.44Å; S9-M74 VanDerWaalsContact CA-O 3.28Å; S9-M74 WeakPolarHBondContact CA-O 3.03Å; S9-N75 WeakPolarHBondContact CB-OD1 3.35Å; S9-N75 PolarHBondContact OG-OD1 3Å
10	L	91.9	Very high	87.2	Confident	12 Å²	12	63.8 Å²	63.8	6%	0.063	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.3	171.3	173.9	66.7	0	0	0	108.9	I12 Q73 M74 L77 Y85 V108	L10-I12 HydrophobicContact CD1-CG1 4.02Å; L10-I12 HydrophobicContact CD2-CD1 3.87Å; L10-I12 HydrophobicContact CD2-CG1 4.04Å; L10-I12 HydrophobicContact CG-CD1 4.24Å; L10-I12 HydrophobicContact CG-CG1 3.83Å; L10-Q73 CarbonylContact O-C 3.55Å; L10-Q73 VanDerWaalsContact O-CA 3.27Å; L10-Q73 WeakPolarHBondContact O-CA 3.26Å; L10-M74 PolarHBondContact N-O 2.83Å; L10-M74 PolarHBondContact O-N 3.3Å; L10-L77 HydrophobicContact CB-CD1 3.81Å; L10-L77 HydrophobicContact CB-CD2 3.94Å; L10-L77 HydrophobicContact CB-CG 4.27Å; L10-L77 HydrophobicContact CD2-CD2 4.4Å; L10-Y85 HydrophobicContact CD2-CE2 4.31Å; L10-V108 HydrophobicContact CD1-CG1 4.18Å; L10-V108 HydrophobicContact CD1-CG2 3.95Å; L10-V108 HydrophobicContact CD2-CB 4.46Å; L10-V108 HydrophobicContact CD2-CG1 4.03Å; L10-V108 HydrophobicContact CD2-CG2 3.97Å
11	S	94.4	Very high	87.5	Confident	80 Å²	80	60.8 Å²	60.8	56%	0.559	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.9	167.4	-174.2	0	0	0	0	109.5	F72	S11-F72 CarbonylContact C-O 3.59Å; S11-F72 WeakPolarHBondContact CA-O 3.38Å
12	I	95.4	Very high	89	Confident	9 Å²	9	59.4 Å²	59.4	5%	0.046	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.1	178.5	-46.3	177	0	0	0	108.3	L10 W28 F71 F72 Y85 T106	L10-I12 HydrophobicContact CD1-CG1 4.02Å; L10-I12 HydrophobicContact CD2-CD1 3.87Å; L10-I12 HydrophobicContact CD2-CG1 4.04Å; L10-I12 HydrophobicContact CG-CD1 4.24Å; L10-I12 HydrophobicContact CG-CG1 3.83Å; I12-W28 HydrophobicContact CB-CH2 4.01Å; I12-W28 HydrophobicContact CB-CZ3 4.04Å; I12-W28 HydrophobicContact CD1-CZ3 4.4Å; I12-W28 HydrophobicContact CG2-CH2 3.85Å; I12-W28 HydrophobicContact CG2-CZ3 3.82Å; I12-F71 WeakPolarHBondContact O-CA 3.16Å; I12-F72 HydrophobicContact CB-CB 4.44Å; I12-F72 HydrophobicContact CB-CD1 4.43Å; I12-F72 HydrophobicContact CD1-CD1 3.88Å; I12-F72 HydrophobicContact CD1-CE1 4.29Å; I12-F72 HydrophobicContact CG1-CD1 4.1Å; I12-F72 PolarHBondContact N-O 3.34Å; I12-F72 PolarHBondContact O-N 2.94Å; I12-Y85 VanDerWaalsContact CD1-CB 3.44Å; I12-Y85 HydrophobicContact CD1-CD1 3.96Å; I12-Y85 HydrophobicContact CD1-CD2 4.2Å; I12-Y85 HydrophobicContact CD1-CG 3.6Å; I12-T106 HydrophobicContact CD1-CG2 3.96Å; I12-T106 HydrophobicContact CG1-CG2 4.28Å; I12-T106 HydrophobicContact CG2-CG2 4.06Å
13	T	96.7	Very high	89.7	Confident	68 Å²	68	62.8 Å²	62.8	42%	0.417	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.1	173.5	-55.2	0	0	0	0	109.6	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.13Å; T13-Q69 HydrophobicContact CG2-CG 3.86Å; T13-F71 HydrophobicContact CG2-CD1 3.97Å; T13-F71 HydrophobicContact CG2-CE1 3.67Å; T13-F71 HydrophobicContact CG2-CZ 4.48Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.08Å
14	C	95.3	Very high	90.2	Very high	12 Å²	12	57.1 Å²	57.1	8%	0.081	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.4	167.9	178	0	0	0	0	109	W28 Q69 V70 C87	C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 3.8Å; C14-Q69 WeakPolarHBondContact O-CA 3.42Å; C14-V70 HydrophobicContact CB-CB 4.44Å; C14-V70 PolarHBondContact N-O 2.8Å; C14-V70 PolarHBondContact O-N 3.49Å; C14-C87 HydrophobicContact CB-CB 3.5Å; C14-C87 VanDerWaalsContact CB-CB 3.5Å; C14-C87 WeakPolarHBondContact CB-SG 3.46Å; C14-C87 WeakPolarHBondContact SG-CB 3.26Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.03Å
15	T	95.3	Very high	90.5	Very high	91 Å²	91	56.3 Å²	56.3	56%	0.558	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	121.2	171.1	-54.3	0	0	0	0	108.4	Q69	T15-Q69 HydrophobicContact CG2-CG 4.37Å; T15-Q69 PolarHBondContact OG1-NE2 3.47Å
16	V	90.8	Very high	91	Very high	13 Å²	13	51.6 Å²	51.6	8%	0.079	34%	0.336	C	S	.	.			trans	-94.4	142.2	-179.4	-55.6	0	0	0	0	110.9	F19 L21 V26 S68	V16-F19 HydrophobicContact CB-CD1 4.46Å; V16-F19 HydrophobicContact CB-CE1 3.78Å; V16-F19 HydrophobicContact CB-CE2 3.98Å; V16-F19 HydrophobicContact CB-CZ 3.52Å; V16-F19 HydrophobicContact CG1-CE1 4.05Å; V16-F19 HydrophobicContact CG1-CE2 3.95Å; V16-F19 HydrophobicContact CG1-CZ 3.39Å; V16-F19 HydrophobicContact CG2-CD2 4.49Å; V16-F19 HydrophobicContact CG2-CE2 4.08Å; V16-F19 HydrophobicContact CG2-CZ 4.15Å; V16-L21 HydrophobicContact CB-CD2 4.48Å; V16-L21 HydrophobicContact CG1-CD2 4.02Å; V16-L21 HydrophobicContact CG2-CD1 4.09Å; V16-L21 HydrophobicContact CG2-CD2 3.7Å; V16-L21 HydrophobicContact CG2-CG 3.65Å; V16-V26 HydrophobicContact CG1-CG2 4.43Å; V16-S68 WeakPolarHBondContact CG2-O 3.28Å; V16-S68 PolarHBondContact N-O 2.95Å
17	S	88.4	Confident	91.4	Very high	104 Å²	104	50 Å²	50	73%	0.727	32%	0.324	S	S	*	.			trans	-137.5	145.8	173.6	59	0	0	0	0	108.8
18	G	84.6	Confident	91.8	Very high	77 Å²	77	45.3 Å²	45.3	79%	0.794	29%	0.29	S	S	*	.	S	Bend	trans	86.3	-2	-177.8	0	0	0	0	0	115.9
19	F	85.3	Confident	92	Very high	38 Å²	38	41.2 Å²	41.2	17%	0.167	27%	0.271	C	S	.	.	S	Bend	trans	-153.4	166.7	170.5	65.9	-86.9	0	0	0	111.7	V16 L21 V26 R89	V16-F19 HydrophobicContact CB-CD1 4.46Å; V16-F19 HydrophobicContact CB-CE1 3.78Å; V16-F19 HydrophobicContact CB-CE2 3.98Å; V16-F19 HydrophobicContact CB-CZ 3.52Å; V16-F19 HydrophobicContact CG1-CE1 4.05Å; V16-F19 HydrophobicContact CG1-CE2 3.95Å; V16-F19 HydrophobicContact CG1-CZ 3.39Å; V16-F19 HydrophobicContact CG2-CD2 4.49Å; V16-F19 HydrophobicContact CG2-CE2 4.08Å; V16-F19 HydrophobicContact CG2-CZ 4.15Å; F19-L21 HydrophobicContact CE2-CD2 3.94Å; F19-V26 HydrophobicContact CE2-CG2 4.28Å; F19-V26 HydrophobicContact CZ-CG2 4.39Å; F19-R89 HydrophobicContact CD1-CG 4.39Å; F19-R89 HydrophobicContact CD2-CG 4.06Å; F19-R89 HydrophobicContact CE1-CB 4.05Å; F19-R89 HydrophobicContact CE1-CG 4.16Å; F19-R89 HydrophobicContact CE2-CB 4.3Å; F19-R89 HydrophobicContact CE2-CG 3.81Å; F19-R89 VanDerWaalsContact CG-CD 3.45Å; F19-R89 HydrophobicContact CG-CG 4.33Å; F19-R89 HydrophobicContact CZ-CB 3.83Å; F19-R89 HydrophobicContact CZ-CG 3.84Å
20	S	89.4	Confident	92.2	Very high	50 Å²	50	38.7 Å²	38.7	35%	0.35	25%	0.252	S	S	.	.			trans	-102.9	139.3	177.6	174.1	0	0	0	0	112.1	T22 N23 S24	S20-T22 PolarHBondContact O-N 2.96Å; S20-T22 PolarHBondContact OG-N 3.48Å; S20-T22 PolarHBondContact OG-OG1 3.25Å; S20-N23 VanDerWaalsContact CB-OD1 3.26Å; S20-N23 WeakPolarHBondContact CB-OD1 3.49Å; S20-N23 PolarHBondContact O-OD1 3.29Å; S20-S24 VanDerWaalsContact O-CB 3.25Å; S20-S24 WeakPolarHBondContact O-CB 3.2Å; S20-S24 PolarHBondContact O-N 3.49Å; S20-S24 VanDerWaalsContact O-N 3.12Å; S20-S24 PolarHBondContact O-OG 2.97Å
21	L	91.8	Very high	92.5	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.2	175.2	-64.7	-180	0	0	0	113.2	V16 F19 V26 K63 N65 Q69 V70	V16-L21 HydrophobicContact CB-CD2 4.48Å; V16-L21 HydrophobicContact CG1-CD2 4.02Å; V16-L21 HydrophobicContact CG2-CD1 4.09Å; V16-L21 HydrophobicContact CG2-CD2 3.7Å; V16-L21 HydrophobicContact CG2-CG 3.65Å; F19-L21 HydrophobicContact CE2-CD2 3.94Å; L21-V26 HydrophobicContact CD2-CG2 3.65Å; L21-K63 HydrophobicContact CB-CD 4.49Å; L21-K63 HydrophobicContact CD1-CB 4.45Å; L21-K63 PolarHBondContact O-NZ 3.49Å; L21-N65 VanDerWaalsContact CB-OD1 3.28Å; L21-N65 WeakPolarHBondContact CB-OD1 3.44Å; L21-Q69 WeakPolarHBondContact CD1-O 3.39Å; L21-V70 HydrophobicContact CD1-CG2 3.74Å; L21-V70 HydrophobicContact CD2-CG2 3.71Å; L21-V70 HydrophobicContact CG-CG2 4.41Å
22	T	90.4	Very high	92.5	Very high	91 Å²	91	38.1 Å²	38.1	56%	0.558	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-33.3	177.2	-55.8	0	0	0	0	111.6	S20 N65	S20-T22 PolarHBondContact O-N 2.96Å; S20-T22 PolarHBondContact OG-N 3.48Å; S20-T22 PolarHBondContact OG-OG1 3.25Å; T22-N65 PolarHBondContact OG1-ND2 2.82Å
23	N	88.1	Confident	92.4	Very high	114 Å²	114	42.8 Å²	42.8	61%	0.61	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-8.6	-178	50.5	-5.7	0	0	0	113.6	S20	S20-N23 VanDerWaalsContact CB-OD1 3.26Å; S20-N23 WeakPolarHBondContact CB-OD1 3.49Å; S20-N23 PolarHBondContact O-OD1 3.29Å
24	S	89.2	Confident	92.3	Very high	7 Å²	7	44 Å²	44	5%	0.049	30%	0.298	C	S	.	.			trans	-115.3	148.8	178.3	-45.9	0	0	0	0	112.2	S20 S45	S20-S24 VanDerWaalsContact O-CB 3.25Å; S20-S24 WeakPolarHBondContact O-CB 3.2Å; S20-S24 PolarHBondContact O-N 3.49Å; S20-S24 VanDerWaalsContact O-N 3.12Å; S20-S24 PolarHBondContact O-OG 2.97Å; S24-S45 WeakPolarHBondContact O-CA 3.4Å
25	G	92.1	Very high	92.2	Very high	4 Å²	4	49.1 Å²	49.1	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	170.7	166.2	0	0	0	0	0	111.6	I43 K90	G25-I43 CarbonylContact C-O 3.59Å; G25-I43 WeakPolarHBondContact CA-O 3.27Å; G25-K90 PolarHBondContact N-O 2.81Å; G25-K90 VanDerWaalsContact N-O 3.16Å; G25-K90 PolarHBondContact O-N 2.99Å
26	V	94.6	Very high	92.2	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	122.3	174.5	177.7	0	0	0	0	110	V16 F19 L21 V42 I43 V70 C87 A88	V16-V26 HydrophobicContact CG1-CG2 4.43Å; F19-V26 HydrophobicContact CE2-CG2 4.28Å; F19-V26 HydrophobicContact CZ-CG2 4.39Å; L21-V26 HydrophobicContact CD2-CG2 3.65Å; V26-V42 WeakPolarHBondContact O-CA 3.49Å; V26-V42 WeakPolarHBondContact O-CG2 3.42Å; V26-I43 HydrophobicContact CB-CG2 4.3Å; V26-I43 PolarHBondContact N-O 3.44Å; V26-I43 PolarHBondContact O-N 2.85Å; V26-V70 HydrophobicContact CB-CG1 4.3Å; V26-V70 HydrophobicContact CB-CG2 3.98Å; V26-V70 HydrophobicContact CG1-CB 4.4Å; V26-V70 HydrophobicContact CG1-CG1 4.26Å; V26-V70 HydrophobicContact CG1-CG2 4.3Å; V26-V70 HydrophobicContact CG2-CG2 3.74Å; V26-C87 HydrophobicContact CG1-CB 3.87Å; V26-A88 CarbonylContact C-O 3.55Å; V26-A88 WeakPolarHBondContact CA-O 3.39Å
27	H	95	Very high	92.4	Very high	21 Å²	21	51.4 Å²	51.4	10%	0.097	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	147.3	171.3	-68.7	-87.5	0	0	0	110.7	W39 G41 C87 A88 K90 M99	H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-CD1 3.73Å; H27-W39 AromaticContact ND1-NE1 3.08Å; H27-W39 PolarHBondContact ND1-NE1 2.66Å; H27-G41 WeakPolarHBondContact CA-O 3.5Å; H27-C87 CarbonylContact O-C 3.6Å; H27-C87 VanDerWaalsContact O-CA 3.27Å; H27-C87 WeakPolarHBondContact O-CA 3.49Å; H27-A88 HydrophobicContact CB-CB 4.45Å; H27-A88 PolarHBondContact N-O 2.83Å; H27-A88 PolarHBondContact O-N 2.87Å; H27-K90 WeakPolarHBondContact NE2-CB 3.48Å; H27-K90 WeakPolarHBondContact NE2-CG 3.46Å; H27-M99 HydrophobicContact CB-CE 4.07Å; H27-M99 HydrophobicContact CB-SD 4.35Å
28	W	96.1	Very high	92.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.9	165.4	-71.8	93.2	0	0	0	109.3	I12 C14 L40 G41 I61 V70 F72 Y86 C87	I12-W28 HydrophobicContact CB-CH2 4.01Å; I12-W28 HydrophobicContact CB-CZ3 4.04Å; I12-W28 HydrophobicContact CD1-CZ3 4.4Å; I12-W28 HydrophobicContact CG2-CH2 3.85Å; I12-W28 HydrophobicContact CG2-CZ3 3.82Å; C14-W28 HydrophobicContact CB-CH2 3.7Å; C14-W28 HydrophobicContact CB-CZ2 3.8Å; W28-L40 HydrophobicContact CB-CB 4.25Å; W28-L40 WeakPolarHBondContact O-CB 3.36Å; W28-L40 PolarHBondContact O-N 2.82Å; W28-G41 PolarHBondContact N-O 3.31Å; W28-G41 PolarHBondContact O-N 3.15Å; W28-I61 HydrophobicContact CG-CD1 4.46Å; W28-V70 HydrophobicContact CZ2-CB 4.44Å; W28-V70 HydrophobicContact CZ2-CG1 4.08Å; W28-F72 HydrophobicContact CB-CD2 3.94Å; W28-F72 HydrophobicContact CB-CE2 4.2Å; W28-F72 HydrophobicContact CD2-CB 3.55Å; W28-F72 AromaticContact CD2-CD2 3.83Å; W28-F72 HydrophobicContact CD2-CD2 3.83Å; W28-F72 AromaticContact CD2-CG 3.88Å; W28-F72 HydrophobicContact CD2-CG 3.88Å; W28-F72 HydrophobicContact CE3-CB 3.79Å; W28-F72 HydrophobicContact CE3-CD2 4.23Å; W28-F72 AromaticContact CE3-CG 3.99Å; W28-F72 HydrophobicContact CE3-CG 3.99Å; W28-F72 HydrophobicContact CG-CB 4.18Å; W28-F72 AromaticContact CG-CD2 3.67Å; W28-F72 HydrophobicContact CG-CD2 3.67Å; W28-F72 HydrophobicContact CG-CE2 4.4Å; W28-F72 HydrophobicContact CG-CG 4.23Å; W28-F72 HydrophobicContact CH2-CB 3.66Å; W28-F72 HydrophobicContact CZ2-CB 3.44Å; W28-F72 VanDerWaalsContact CZ2-CB 3.44Å; W28-F72 HydrophobicContact CZ3-CB 3.85Å; W28-F72 HydrophobicContact CZ3-CG 4.36Å; W28-Y86 WeakPolarHBondContact CA-O 3.41Å; W28-C87 HydrophobicContact CD2-CB 4.41Å; W28-C87 HydrophobicContact CE3-CB 4.26Å; W28-C87 HydrophobicContact CH2-CB 4.18Å; W28-C87 HydrophobicContact CZ2-CB 4.28Å; W28-C87 HydrophobicContact CZ3-CB 4.15Å
29	V	95.9	Very high	93.2	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.4	-176.7	-178.9	0	0	0	0	107.5	L37 E38 Y85 Y86 W102	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; V29-E38 CarbonylContact C-O 3.43Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.29Å; V29-Y85 CarbonylContact O-C 3.54Å; V29-Y86 PolarHBondContact N-O 2.89Å; V29-Y86 PolarHBondContact O-N 3.34Å; V29-W102 HydrophobicContact CB-CH2 4.18Å; V29-W102 HydrophobicContact CB-CZ3 3.94Å; V29-W102 HydrophobicContact CG1-CH2 4.11Å; V29-W102 HydrophobicContact CG1-CZ3 4.06Å; V29-W102 HydrophobicContact CG2-CH2 3.92Å; V29-W102 HydrophobicContact CG2-CZ3 4.1Å
30	R	95.9	Very high	93.7	Very high	11 Å²	11	46.9 Å²	46.9	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	158.9	170.3	70.2	175	-170	178.2	13.3	112	E38 L40 F55 D81 A83 I84 Y85	R30-E38 HydrophobicContact CG-CB 4.01Å; R30-E38 IonicContact CZ-OE2 2.7Å; R30-E38 PolarHBondContact N-O 3.09Å; R30-E38 IonicContact NE-OE2 2.94Å; R30-E38 PolarHBondContact NE-OE2 2.93Å; R30-E38 IonicContact NH2-OE2 3.89Å; R30-E38 PolarHBondContact NH2-OE2 2.85Å; R30-E38 PolarHBondContact O-N 2.93Å; R30-L40 HydrophobicContact CB-CD1 3.9Å; R30-L40 HydrophobicContact CB-CG 4.43Å; R30-L40 HydrophobicContact CG-CD1 4.01Å; R30-L40 HydrophobicContact CG-CD2 3.97Å; R30-L40 HydrophobicContact CG-CG 4.09Å; R30-F55 VanDerWaalsContact CZ-CZ 3.45Å; R30-F55 VanDerWaalsContact NH2-CE1 3.32Å; R30-D81 IonicContact CZ-OD1 3.36Å; R30-D81 IonicContact NH1-OD1 2.97Å; R30-D81 PolarHBondContact NH1-OD1 3.15Å; R30-A83 HydrophobicContact CB-CB 3.93Å; R30-A83 HydrophobicContact CG-CB 4.35Å; R30-I84 CarbonylContact C-O 3.46Å; R30-I84 WeakPolarHBondContact CA-O 3.36Å; R30-Y85 HydrophobicContact CB-CD1 3.96Å; R30-Y85 HydrophobicContact CB-CE1 3.98Å; R30-Y85 HydrophobicContact CB-CG 4.33Å
31	Q	96.9	Very high	93.9	Very high	70 Å²	70	44.5 Å²	44.5	33%	0.327	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	108.7	173.1	-168.3	178	21.8	0	0	109.6	K35 L37 A83 I84 Y86	Q31-K35 WeakPolarHBondContact CG-O 3.34Å; Q31-K35 PolarHBondContact NE2-O 3.12Å; Q31-L37 HydrophobicContact CB-CD2 4.1Å; Q31-L37 HydrophobicContact CG-CD2 4.45Å; Q31-A83 WeakPolarHBondContact O-CA 3.1Å; Q31-A83 WeakPolarHBondContact O-CB 3.42Å; Q31-I84 PolarHBondContact N-O 3.4Å; Q31-I84 PolarHBondContact O-N 2.99Å; Q31-Y86 HydrophobicContact CB-CE2 3.86Å; Q31-Y86 PolarHBondContact OE1-OH 2.87Å
32	S	95.4	Very high	94.1	Very high	11 Å²	11	44.5 Å²	44.5	8%	0.077	27%	0.267	C	S	.	.			trans	-74.9	153.6	171.5	-61.1	0	0	0	0	110.7	G34 K35 T82	S32-G34 PolarHBondContact O-N 2.83Å; S32-K35 PolarHBondContact O-N 2.82Å; S32-T82 PolarHBondContact OG-O 3.39Å
33	P	93.6	Very high	94.4	Very high	106 Å²	106	40.5 Å²	40.5	69%	0.688	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	127.1	175.4	-25.8	34.6	0	0	0	111.9	K35	P33-K35 PolarHBondContact O-N 2.97Å
34	G	94.1	Very high	94.6	Very high	94 Å²	94	37.5 Å²	37.5	97%	0.969	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	7.6	-179.6	0	0	0	0	0	115.6	S32	S32-G34 PolarHBondContact O-N 2.83Å
35	K	94	Very high	94.8	Very high	120 Å²	120	39.7 Å²	39.7	52%	0.522	24%	0.239	S	C	.	.			trans	-114.4	162.2	177.1	-61	-163.9	-178.1	179.7	0	112.6	Q31 S32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.34Å; Q31-K35 PolarHBondContact NE2-O 3.12Å; S32-K35 PolarHBondContact O-N 2.82Å; P33-K35 PolarHBondContact O-N 2.97Å
36	G	94.2	Very high	94.7	Very high	51 Å²	51	43 Å²	43	53%	0.526	27%	0.272	S	S	.	.			trans	-71.1	-179.2	170	0	0	0	0	0	112.9
37	L	94.6	Very high	94.6	Very high	100 Å²	100	44.6 Å²	44.6	52%	0.524	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.7	174.3	-66.6	171.1	0	0	0	110.3	V29 Q31 Y86 W102	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; Q31-L37 HydrophobicContact CB-CD2 4.1Å; Q31-L37 HydrophobicContact CG-CD2 4.45Å; L37-Y86 HydrophobicContact CD2-CD2 4.39Å; L37-Y86 HydrophobicContact CD2-CE2 4.28Å; L37-W102 HydrophobicContact CD1-CH2 3.95Å; L37-W102 HydrophobicContact CD1-CZ3 4.4Å; L37-W102 HydrophobicContact CD2-CZ3 4.42Å
38	E	95.1	Very high	94.6	Very high	51 Å²	51	48 Å²	48	24%	0.238	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.4	176.1	-67	-179.7	171.4	0	0	109.2	V29 R30	V29-E38 CarbonylContact C-O 3.43Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.29Å; R30-E38 HydrophobicContact CG-CB 4.01Å; R30-E38 IonicContact CZ-OE2 2.7Å; R30-E38 PolarHBondContact N-O 3.09Å; R30-E38 IonicContact NE-OE2 2.94Å; R30-E38 PolarHBondContact NE-OE2 2.93Å; R30-E38 IonicContact NH2-OE2 3.89Å; R30-E38 PolarHBondContact NH2-OE2 2.85Å; R30-E38 PolarHBondContact O-N 2.93Å
39	W	94.8	Very high	94.6	Very high	74 Å²	74	50.5 Å²	50.5	28%	0.28	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.9	174.6	179.2	72.9	0	0	0	110.7	H27 G41 V42 D50 N52	H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-CD1 3.73Å; H27-W39 AromaticContact ND1-NE1 3.08Å; H27-W39 PolarHBondContact ND1-NE1 2.66Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 3.15Å; W39-V42 HydrophobicContact CZ2-CB 4.06Å; W39-V42 HydrophobicContact CZ2-CG1 3.9Å; W39-D50 HydrophobicContact CH2-CB 4.4Å; W39-N52 HydrophobicContact CE3-CB 3.86Å; W39-N52 HydrophobicContact CZ3-CB 3.96Å; W39-N52 WeakPolarHBondContact O-CB 3.41Å; W39-N52 PolarHBondContact O-ND2 2.75Å
40	L	95.7	Very high	94.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-39.9	-177	-65.2	174.9	0	0	0	112.8	W28 R30 N52 F55 L59 F72 Y85	W28-L40 HydrophobicContact CB-CB 4.25Å; W28-L40 WeakPolarHBondContact O-CB 3.36Å; W28-L40 PolarHBondContact O-N 2.82Å; R30-L40 HydrophobicContact CB-CD1 3.9Å; R30-L40 HydrophobicContact CB-CG 4.43Å; R30-L40 HydrophobicContact CG-CD1 4.01Å; R30-L40 HydrophobicContact CG-CD2 3.97Å; R30-L40 HydrophobicContact CG-CG 4.09Å; L40-N52 PolarHBondContact O-N 2.92Å; L40-F55 HydrophobicContact CD2-CD1 4.24Å; L40-F55 HydrophobicContact CD2-CD2 3.79Å; L40-F55 HydrophobicContact CD2-CE1 4.36Å; L40-F55 HydrophobicContact CD2-CE2 3.89Å; L40-F55 HydrophobicContact CD2-CG 3.98Å; L40-F55 HydrophobicContact CD2-CZ 4.19Å; L40-L59 HydrophobicContact CB-CD1 4.06Å; L40-L59 WeakPolarHBondContact O-CD1 3.38Å; L40-F72 HydrophobicContact CB-CE2 4.3Å; L40-F72 HydrophobicContact CD1-CE2 3.88Å; L40-F72 HydrophobicContact CD1-CZ 3.71Å; L40-Y85 HydrophobicContact CD1-CD1 3.8Å; L40-Y85 HydrophobicContact CD1-CE1 3.73Å
41	G	95.3	Very high	94.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	177.1	-176.2	0	0	0	0	0	112.5	H27 W28 W39 D50	H27-G41 WeakPolarHBondContact CA-O 3.5Å; W28-G41 PolarHBondContact N-O 3.31Å; W28-G41 PolarHBondContact O-N 3.15Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 3.15Å; G41-D50 CarbonylContact C-O 3.57Å; G41-D50 WeakPolarHBondContact CA-O 3.43Å
42	V	95.2	Very high	94.4	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.012	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	145.4	177	66.2	0	0	0	0	109.6	V26 W39 F44 T49 D50 K90	V26-V42 WeakPolarHBondContact O-CA 3.49Å; V26-V42 WeakPolarHBondContact O-CG2 3.42Å; W39-V42 HydrophobicContact CZ2-CB 4.06Å; W39-V42 HydrophobicContact CZ2-CG1 3.9Å; V42-F44 HydrophobicContact CG1-CD1 4.36Å; V42-F44 HydrophobicContact CG1-CD2 4.42Å; V42-F44 HydrophobicContact CG1-CE1 3.68Å; V42-F44 HydrophobicContact CG1-CE2 3.79Å; V42-F44 HydrophobicContact CG1-CZ 3.39Å; V42-F44 HydrophobicContact CG2-CD1 4.3Å; V42-F44 HydrophobicContact CG2-CE1 4.17Å; V42-T49 VanDerWaalsContact O-CA 3.26Å; V42-T49 WeakPolarHBondContact O-CA 3.42Å; V42-D50 HydrophobicContact CG1-CB 3.91Å; V42-D50 PolarHBondContact N-O 2.7Å; V42-D50 PolarHBondContact O-N 3.18Å; V42-K90 HydrophobicContact CG2-CD 4.38Å
43	I	95.8	Very high	94.3	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.031	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.1	160.5	-171.3	161.5	0	0	0	109	G25 V26 T48 T49 I61 K63 V70	G25-I43 CarbonylContact C-O 3.59Å; G25-I43 WeakPolarHBondContact CA-O 3.27Å; V26-I43 HydrophobicContact CB-CG2 4.3Å; V26-I43 PolarHBondContact N-O 3.44Å; V26-I43 PolarHBondContact O-N 2.85Å; I43-T48 WeakPolarHBondContact CA-O 3.37Å; I43-T49 HydrophobicContact CB-CG2 4.01Å; I43-T49 HydrophobicContact CD1-CG2 4.07Å; I43-T49 HydrophobicContact CG1-CG2 3.9Å; I43-I61 HydrophobicContact CB-CG2 3.71Å; I43-I61 HydrophobicContact CD1-CG2 4.45Å; I43-I61 HydrophobicContact CG2-CG2 3.76Å; I43-K63 HydrophobicContact CD1-CB 3.99Å; I43-K63 HydrophobicContact CD1-CD 3.94Å; I43-K63 HydrophobicContact CD1-CG 3.71Å; I43-K63 HydrophobicContact CG1-CD 4.14Å; I43-K63 HydrophobicContact CG1-CG 4.46Å; I43-V70 HydrophobicContact CG2-CG1 3.81Å
44	F	93.8	Very high	94.1	Very high	52 Å²	52	56.8 Å²	56.8	23%	0.228	38%	0.377	C	S	.	.			trans	-79.9	166.9	-179.3	-60.3	-70	0	0	0	111.5	V42 G46 G47 T48 D50 K63 K90	V42-F44 HydrophobicContact CG1-CD1 4.36Å; V42-F44 HydrophobicContact CG1-CD2 4.42Å; V42-F44 HydrophobicContact CG1-CE1 3.68Å; V42-F44 HydrophobicContact CG1-CE2 3.79Å; V42-F44 HydrophobicContact CG1-CZ 3.39Å; V42-F44 HydrophobicContact CG2-CD1 4.3Å; V42-F44 HydrophobicContact CG2-CE1 4.17Å; F44-G46 PolarHBondContact O-N 3.08Å; F44-G47 PolarHBondContact O-N 2.89Å; F44-T48 WeakPolarHBondContact CD2-O 3.45Å; F44-T48 WeakPolarHBondContact CD2-OG1 3.34Å; F44-T48 PolarHBondContact N-O 2.91Å; F44-D50 HydrophobicContact CE2-CB 4Å; F44-D50 HydrophobicContact CZ-CB 4.28Å; F44-K63 PolarHBondContact O-NZ 3.35Å; F44-K90 HydrophobicContact CD1-CD 3.84Å; F44-K90 VanDerWaalsContact CD1-NZ 3.28Å; F44-K90 HydrophobicContact CE1-CD 3.93Å
45	S	91.9	Very high	93.8	Very high	53 Å²	53	53.2 Å²	53.2	37%	0.371	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36	175.6	53.1	0	0	0	0	112.3	S24 G47 K63	S24-S45 WeakPolarHBondContact O-CA 3.4Å; S45-G47 PolarHBondContact O-N 2.84Å; S45-K63 VanDerWaalsContact C-NZ 3.28Å; S45-K63 PolarHBondContact O-NZ 2.64Å
46	G	91.5	Very high	93.6	Very high	72 Å²	72	52.1 Å²	52.1	74%	0.742	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-4.5	173.5	0	0	0	0	0	115.7	F44 T48	F44-G46 PolarHBondContact O-N 3.08Å; G46-T48 VanDerWaalsContact C-N 3.35Å
47	G	92.7	Very high	93.5	Very high	36 Å²	36	55 Å²	55	37%	0.371	35%	0.345	S	S	.	.	S	Bend	trans	87.8	-5.9	178.8	0	0	0	0	0	115.2	F44 S45	F44-G47 PolarHBondContact O-N 2.89Å; S45-G47 PolarHBondContact O-N 2.84Å
48	T	94.6	Very high	93.4	Very high	92 Å²	92	51.6 Å²	51.6	56%	0.564	33%	0.326	S	S	*	.			trans	-65.6	151.1	169.3	49.5	0	0	0	0	110.8	I43 F44 G46	I43-T48 WeakPolarHBondContact CA-O 3.37Å; F44-T48 WeakPolarHBondContact CD2-O 3.45Å; F44-T48 WeakPolarHBondContact CD2-OG1 3.34Å; F44-T48 PolarHBondContact N-O 2.91Å; G46-T48 VanDerWaalsContact C-N 3.35Å
49	T	96	Very high	93.4	Very high	56 Å²	56	49.9 Å²	49.9	34%	0.344	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.8	-179.6	49.3	0	0	0	0	111.1	V42 I43 Y51 I61	V42-T49 VanDerWaalsContact O-CA 3.26Å; V42-T49 WeakPolarHBondContact O-CA 3.42Å; I43-T49 HydrophobicContact CB-CG2 4.01Å; I43-T49 HydrophobicContact CD1-CG2 4.07Å; I43-T49 HydrophobicContact CG1-CG2 3.9Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.42Å; T49-Y51 PolarHBondContact OG1-OH 2.94Å; T49-I61 HydrophobicContact CG2-CB 4.24Å
50	D	95.1	Very high	93.5	Very high	85 Å²	85	48.8 Å²	48.8	46%	0.455	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.7	168.3	-173.7	17.8	0	0	0	108.7	W39 G41 V42 F44	W39-D50 HydrophobicContact CH2-CB 4.4Å; G41-D50 CarbonylContact C-O 3.57Å; G41-D50 WeakPolarHBondContact CA-O 3.43Å; V42-D50 HydrophobicContact CG1-CB 3.91Å; V42-D50 PolarHBondContact N-O 2.7Å; V42-D50 PolarHBondContact O-N 3.18Å; F44-D50 HydrophobicContact CE2-CB 4Å; F44-D50 HydrophobicContact CZ-CB 4.28Å
51	Y	95.4	Very high	93.5	Very high	42 Å²	42	49.1 Å²	49.1	17%	0.165	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.3	-169.9	-60.5	-81	0	0	0	110.6	T49 A53 I56 L59 I61	T49-Y51 WeakPolarHBondContact OG1-CE2 3.42Å; T49-Y51 PolarHBondContact OG1-OH 2.94Å; Y51-A53 PolarHBondContact O-N 2.83Å; Y51-I56 HydrophobicContact CD2-CD1 4.37Å; Y51-I56 HydrophobicContact CD2-CG1 4.09Å; Y51-I56 HydrophobicContact CG-CG1 4.18Å; Y51-L59 HydrophobicContact CD1-CB 3.76Å; Y51-L59 HydrophobicContact CD1-CD1 4.2Å; Y51-L59 HydrophobicContact CE1-CB 3.89Å; Y51-I61 HydrophobicContact CD1-CD1 4.11Å; Y51-I61 HydrophobicContact CE1-CB 4.33Å; Y51-I61 HydrophobicContact CE1-CD1 3.73Å; Y51-I61 HydrophobicContact CE1-CG1 3.88Å; Y51-I61 PolarHBondContact OH-N 2.94Å
52	N	94	Very high	93.6	Very high	48 Å²	48	51.9 Å²	51.9	26%	0.257	34%	0.343	S	S	.	.			trans	-66.5	127.2	166.3	-177.1	-31.4	0	0	0	109.5	W39 L40 A54 F55 I56	W39-N52 HydrophobicContact CE3-CB 3.86Å; W39-N52 HydrophobicContact CZ3-CB 3.96Å; W39-N52 WeakPolarHBondContact O-CB 3.41Å; W39-N52 PolarHBondContact O-ND2 2.75Å; L40-N52 PolarHBondContact O-N 2.92Å; N52-A54 PolarHBondContact O-N 3.03Å; N52-A54 WeakPolarHBondContact OD1-CB 3.48Å; N52-A54 PolarHBondContact OD1-N 3.07Å; N52-F55 HydrophobicContact CB-CD2 3.95Å; N52-F55 PolarHBondContact O-N 3.46Å; N52-I56 PolarHBondContact O-N 3.09Å
53	A	92.8	Very high	93.7	Very high	86 Å²	86	53.9 Å²	53.9	71%	0.711	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.6	-177.9	0	0	0	0	0	113.5	Y51 F55	Y51-A53 PolarHBondContact O-N 2.83Å; A53-F55 PolarHBondContact O-N 3.05Å
54	A	89.4	Confident	93.7	Very high	73 Å²	73	55.6 Å²	55.6	60%	0.603	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.6	177.1	0	0	0	0	0	113.8	N52	N52-A54 PolarHBondContact O-N 3.03Å; N52-A54 WeakPolarHBondContact OD1-CB 3.48Å; N52-A54 PolarHBondContact OD1-N 3.07Å
55	F	87.2	Confident	93.7	Very high	19 Å²	19	56.1 Å²	56.1	8%	0.083	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-8.7	-173.1	-56.9	-82.7	0	0	0	114	R30 L40 N52 A53 S57 R58 L59 M74	R30-F55 VanDerWaalsContact CZ-CZ 3.45Å; R30-F55 VanDerWaalsContact NH2-CE1 3.32Å; L40-F55 HydrophobicContact CD2-CD1 4.24Å; L40-F55 HydrophobicContact CD2-CD2 3.79Å; L40-F55 HydrophobicContact CD2-CE1 4.36Å; L40-F55 HydrophobicContact CD2-CE2 3.89Å; L40-F55 HydrophobicContact CD2-CG 3.98Å; L40-F55 HydrophobicContact CD2-CZ 4.19Å; N52-F55 HydrophobicContact CB-CD2 3.95Å; N52-F55 PolarHBondContact O-N 3.46Å; A53-F55 PolarHBondContact O-N 3.05Å; F55-S57 PolarHBondContact O-N 2.89Å; F55-R58 PolarHBondContact O-N 2.9Å; F55-L59 HydrophobicContact CB-CD1 3.4Å; F55-L59 VanDerWaalsContact CB-CD1 3.4Å; F55-L59 HydrophobicContact CB-CG 3.74Å; F55-L59 HydrophobicContact CG-CD1 4.37Å; F55-L59 WeakPolarHBondContact O-CG 3.12Å; F55-L59 PolarHBondContact O-N 3.24Å; F55-M74 HydrophobicContact CD1-CE 4.21Å
56	I	89.7	Confident	93.8	Very high	97 Å²	97	58.6 Å²	58.6	50%	0.497	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.8	-170.7	-167	166.3	0	0	0	114.4	Y51 N52 R58	Y51-I56 HydrophobicContact CD2-CD1 4.37Å; Y51-I56 HydrophobicContact CD2-CG1 4.09Å; Y51-I56 HydrophobicContact CG-CG1 4.18Å; N52-I56 PolarHBondContact O-N 3.09Å; I56-R58 PolarHBondContact O-N 2.93Å
57	S	92	Very high	94	Very high	111 Å²	111	61.1 Å²	61.1	78%	0.776	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.5	-179.5	59	0	0	0	0	114.3	F55	F55-S57 PolarHBondContact O-N 2.89Å
58	R	94.4	Very high	94.1	Very high	29 Å²	29	61.5 Å²	61.5	11%	0.109	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-11.5	-173.1	-60	-168.9	-59	126.9	-1.6	113.7	F55 I56 M74 N75 S76 D81	F55-R58 PolarHBondContact O-N 2.9Å; I56-R58 PolarHBondContact O-N 2.93Å; R58-M74 HydrophobicContact CB-CG 4.49Å; R58-M74 CarbonylContact O-C 3.44Å; R58-M74 WeakPolarHBondContact O-CA 3.35Å; R58-N75 WeakPolarHBondContact CB-O 3.24Å; R58-N75 PolarHBondContact NH1-O 3.31Å; R58-N75 PolarHBondContact O-N 3.03Å; R58-S76 PolarHBondContact NH1-O 2.88Å; R58-D81 IonicContact CZ-OD1 3.58Å; R58-D81 IonicContact CZ-OD2 3.88Å; R58-D81 IonicContact NH1-OD1 3.63Å; R58-D81 IonicContact NH1-OD2 2.64Å; R58-D81 PolarHBondContact NH1-OD2 2.98Å; R58-D81 IonicContact NH2-OD1 2.96Å; R58-D81 PolarHBondContact NH2-OD1 2.97Å; R58-D81 IonicContact NH2-OD2 3.43Å; R58-D81 PolarHBondContact NH2-OD2 2.81Å
59	L	94.5	Very high	94.2	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.079	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	145.8	-174.7	-67.9	-175.2	0	0	0	112.9	L40 Y51 F55 F72 Q73 M74	L40-L59 HydrophobicContact CB-CD1 4.06Å; L40-L59 WeakPolarHBondContact O-CD1 3.38Å; Y51-L59 HydrophobicContact CD1-CB 3.76Å; Y51-L59 HydrophobicContact CD1-CD1 4.2Å; Y51-L59 HydrophobicContact CE1-CB 3.89Å; F55-L59 HydrophobicContact CB-CD1 3.4Å; F55-L59 VanDerWaalsContact CB-CD1 3.4Å; F55-L59 HydrophobicContact CB-CG 3.74Å; F55-L59 HydrophobicContact CG-CD1 4.37Å; F55-L59 WeakPolarHBondContact O-CG 3.12Å; F55-L59 PolarHBondContact O-N 3.24Å; L59-F72 HydrophobicContact CD1-CE2 4.21Å; L59-F72 HydrophobicContact CD2-CD2 4.48Å; L59-F72 HydrophobicContact CD2-CE1 4.28Å; L59-F72 HydrophobicContact CD2-CE2 3.42Å; L59-F72 VanDerWaalsContact CD2-CE2 3.42Å; L59-F72 HydrophobicContact CD2-CZ 3.3Å; L59-F72 HydrophobicContact CG-CE2 4.37Å; L59-Q73 CarbonylContact C-O 3.44Å; L59-Q73 WeakPolarHBondContact CA-O 3.43Å; L59-M74 HydrophobicContact CD2-CB 3.87Å; L59-M74 HydrophobicContact CD2-CE 3.43Å; L59-M74 VanDerWaalsContact CD2-CE 3.43Å; L59-M74 HydrophobicContact CD2-CG 3.96Å; L59-M74 HydrophobicContact CG-CE 4.45Å
60	S	96.1	Very high	94.2	Very high	50 Å²	50	56.7 Å²	56.7	35%	0.35	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	129	165.7	177.3	0	0	0	0	109	Q73	S60-Q73 PolarHBondContact N-O 3.39Å; S60-Q73 PolarHBondContact O-N 2.84Å
61	I	97.2	Very high	94.3	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.1	175.6	-58.9	161.1	0	0	0	108.3	W28 I43 T49 Y51 V70 F71 F72	W28-I61 HydrophobicContact CG-CD1 4.46Å; I43-I61 HydrophobicContact CB-CG2 3.71Å; I43-I61 HydrophobicContact CD1-CG2 4.45Å; I43-I61 HydrophobicContact CG2-CG2 3.76Å; T49-I61 HydrophobicContact CG2-CB 4.24Å; Y51-I61 HydrophobicContact CD1-CD1 4.11Å; Y51-I61 HydrophobicContact CE1-CB 4.33Å; Y51-I61 HydrophobicContact CE1-CD1 3.73Å; Y51-I61 HydrophobicContact CE1-CG1 3.88Å; Y51-I61 PolarHBondContact OH-N 2.94Å; I61-V70 HydrophobicContact CG2-CG1 4.05Å; I61-F71 WeakPolarHBondContact CA-O 3.34Å; I61-F72 HydrophobicContact CG1-CD2 4.03Å
62	S	96.9	Very high	94.4	Very high	58 Å²	58	53.2 Å²	53.2	41%	0.406	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	168.2	175	68.8	0	0	0	0	110.7	V70 F71	S62-V70 CarbonylContact O-C 3.56Å; S62-V70 WeakPolarHBondContact O-CA 3.28Å; S62-V70 WeakPolarHBondContact O-CG1 3.36Å; S62-F71 PolarHBondContact N-O 2.92Å; S62-F71 PolarHBondContact O-N 2.84Å
63	K	96	Very high	94.4	Very high	43 Å²	43	54.8 Å²	54.8	19%	0.187	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151.9	176.9	70.7	-178.2	-171.5	176.6	0	112	L21 I43 F44 S45 N65 Q69 V70	L21-K63 HydrophobicContact CB-CD 4.49Å; L21-K63 HydrophobicContact CD1-CB 4.45Å; L21-K63 PolarHBondContact O-NZ 3.49Å; I43-K63 HydrophobicContact CD1-CB 3.99Å; I43-K63 HydrophobicContact CD1-CD 3.94Å; I43-K63 HydrophobicContact CD1-CG 3.71Å; I43-K63 HydrophobicContact CG1-CD 4.14Å; I43-K63 HydrophobicContact CG1-CG 4.46Å; F44-K63 PolarHBondContact O-NZ 3.35Å; S45-K63 VanDerWaalsContact C-NZ 3.28Å; S45-K63 PolarHBondContact O-NZ 2.64Å; K63-N65 WeakPolarHBondContact CD-OD1 3.32Å; K63-N65 VanDerWaalsContact CE-OD1 3.3Å; K63-N65 WeakPolarHBondContact CE-OD1 3.45Å; K63-Q69 CarbonylContact C-O 3.5Å; K63-Q69 WeakPolarHBondContact CA-O 3.26Å; K63-V70 HydrophobicContact CB-CG2 4.03Å
64	D	95.8	Very high	94.5	Very high	42 Å²	42	50.7 Å²	50.7	23%	0.225	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	101.9	170.9	-175.9	-16.6	0	0	0	108.3	S66 K67 S68 Q69 F71	D64-S66 PolarHBondContact O-N 2.84Å; D64-S66 WeakPolarHBondContact OD1-CB 3.27Å; D64-S66 PolarHBondContact OD1-N 2.78Å; D64-S66 PolarHBondContact OD1-OG 3.02Å; D64-K67 HydrophobicContact CB-CB 4.33Å; D64-K67 PolarHBondContact O-N 3.42Å; D64-K67 PolarHBondContact OD1-N 3.32Å; D64-K67 WeakPolarHBondContact OD2-CD 3.39Å; D64-K67 VanDerWaalsContact OD2-CE 3.23Å; D64-K67 WeakPolarHBondContact OD2-CE 3.45Å; D64-K67 WeakPolarHBondContact OD2-CG 3.36Å; D64-K67 IonicContact OD2-NZ 3.18Å; D64-K67 PolarHBondContact OD2-NZ 3.21Å; D64-S68 PolarHBondContact O-N 3.43Å; D64-Q69 PolarHBondContact N-O 2.72Å; D64-Q69 PolarHBondContact O-N 2.75Å; D64-F71 HydrophobicContact CB-CE2 3.9Å
65	N	94.6	Very high	94.7	Very high	64 Å²	64	50 Å²	50	34%	0.342	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-31.2	-179.7	-67.5	1.1	0	0	0	111.7	L21 T22 K63 K67 S68	L21-N65 VanDerWaalsContact CB-OD1 3.28Å; L21-N65 WeakPolarHBondContact CB-OD1 3.44Å; T22-N65 PolarHBondContact OG1-ND2 2.82Å; K63-N65 WeakPolarHBondContact CD-OD1 3.32Å; K63-N65 VanDerWaalsContact CE-OD1 3.3Å; K63-N65 WeakPolarHBondContact CE-OD1 3.45Å; N65-K67 VanDerWaalsContact C-N 3.26Å; N65-K67 PolarHBondContact O-N 2.96Å; N65-S68 PolarHBondContact O-N 2.8Å
66	S	93.9	Very high	95	Very high	104 Å²	104	52.3 Å²	52.3	73%	0.727	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-30.4	-179.1	75.2	0	0	0	0	112.1	D64	D64-S66 PolarHBondContact O-N 2.84Å; D64-S66 WeakPolarHBondContact OD1-CB 3.27Å; D64-S66 PolarHBondContact OD1-N 2.78Å; D64-S66 PolarHBondContact OD1-OG 3.02Å
67	K	95.2	Very high	95.1	Very high	125 Å²	125	47.9 Å²	47.9	54%	0.543	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-3.2	177.6	-62.8	-179.3	-168.5	161.6	0	113.5	D64 N65 Q69	D64-K67 HydrophobicContact CB-CB 4.33Å; D64-K67 PolarHBondContact O-N 3.42Å; D64-K67 PolarHBondContact OD1-N 3.32Å; D64-K67 WeakPolarHBondContact OD2-CD 3.39Å; D64-K67 VanDerWaalsContact OD2-CE 3.23Å; D64-K67 WeakPolarHBondContact OD2-CE 3.45Å; D64-K67 WeakPolarHBondContact OD2-CG 3.36Å; D64-K67 IonicContact OD2-NZ 3.18Å; D64-K67 PolarHBondContact OD2-NZ 3.21Å; N65-K67 VanDerWaalsContact C-N 3.26Å; N65-K67 PolarHBondContact O-N 2.96Å; K67-Q69 HydrophobicContact CB-CB 4.2Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 PolarHBondContact O-N 2.86Å
68	S	94.9	Very high	95.2	Very high	45 Å²	45	46.8 Å²	46.8	32%	0.315	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	44.1	-170.7	-59.5	0	0	0	0	111.8	V16 D64 N65	V16-S68 WeakPolarHBondContact CG2-O 3.28Å; V16-S68 PolarHBondContact N-O 2.95Å; D64-S68 PolarHBondContact O-N 3.43Å; N65-S68 PolarHBondContact O-N 2.8Å
69	Q	96.9	Very high	95	Very high	47 Å²	47	49.8 Å²	49.8	22%	0.22	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.1	-176.2	-78.3	175.3	-10.6	0	0	111.9	T13 C14 T15 L21 K63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.13Å; T13-Q69 HydrophobicContact CG2-CG 3.86Å; C14-Q69 WeakPolarHBondContact O-CA 3.42Å; T15-Q69 HydrophobicContact CG2-CG 4.37Å; T15-Q69 PolarHBondContact OG1-NE2 3.47Å; L21-Q69 WeakPolarHBondContact CD1-O 3.39Å; K63-Q69 CarbonylContact C-O 3.5Å; K63-Q69 WeakPolarHBondContact CA-O 3.26Å; D64-Q69 PolarHBondContact N-O 2.72Å; D64-Q69 PolarHBondContact O-N 2.75Å; K67-Q69 HydrophobicContact CB-CB 4.2Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 PolarHBondContact O-N 2.86Å; Q69-F71 HydrophobicContact CB-CE1 4.31Å; Q69-F71 HydrophobicContact CB-CE2 3.99Å; Q69-F71 HydrophobicContact CB-CZ 3.7Å
70	V	96.9	Very high	94.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.7	169.3	-177.1	0	0	0	0	108.1	C14 L21 V26 W28 I43 I61 S62 K63	C14-V70 HydrophobicContact CB-CB 4.44Å; C14-V70 PolarHBondContact N-O 2.8Å; C14-V70 PolarHBondContact O-N 3.49Å; L21-V70 HydrophobicContact CD1-CG2 3.74Å; L21-V70 HydrophobicContact CD2-CG2 3.71Å; L21-V70 HydrophobicContact CG-CG2 4.41Å; V26-V70 HydrophobicContact CB-CG1 4.3Å; V26-V70 HydrophobicContact CB-CG2 3.98Å; V26-V70 HydrophobicContact CG1-CB 4.4Å; V26-V70 HydrophobicContact CG1-CG1 4.26Å; V26-V70 HydrophobicContact CG1-CG2 4.3Å; V26-V70 HydrophobicContact CG2-CG2 3.74Å; W28-V70 HydrophobicContact CZ2-CB 4.44Å; W28-V70 HydrophobicContact CZ2-CG1 4.08Å; I43-V70 HydrophobicContact CG2-CG1 3.81Å; I61-V70 HydrophobicContact CG2-CG1 4.05Å; S62-V70 CarbonylContact O-C 3.56Å; S62-V70 WeakPolarHBondContact O-CA 3.28Å; S62-V70 WeakPolarHBondContact O-CG1 3.36Å; K63-V70 HydrophobicContact CB-CG2 4.03Å
71	F	96.9	Very high	94.7	Very high	53 Å²	53	50.9 Å²	50.9	23%	0.232	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.4	-178.5	-52.3	-84	0	0	0	109.4	I12 T13 I61 S62 D64 Q69	I12-F71 WeakPolarHBondContact O-CA 3.16Å; T13-F71 HydrophobicContact CG2-CD1 3.97Å; T13-F71 HydrophobicContact CG2-CE1 3.67Å; T13-F71 HydrophobicContact CG2-CZ 4.48Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.08Å; I61-F71 WeakPolarHBondContact CA-O 3.34Å; S62-F71 PolarHBondContact N-O 2.92Å; S62-F71 PolarHBondContact O-N 2.84Å; D64-F71 HydrophobicContact CB-CE2 3.9Å; Q69-F71 HydrophobicContact CB-CE1 4.31Å; Q69-F71 HydrophobicContact CB-CE2 3.99Å; Q69-F71 HydrophobicContact CB-CZ 3.7Å
72	F	96.4	Very high	94.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.2	172.4	170.7	-89.9	0	0	0	108.8	S11 I12 W28 L40 L59 I61 M74 Y85	S11-F72 CarbonylContact C-O 3.59Å; S11-F72 WeakPolarHBondContact CA-O 3.38Å; I12-F72 HydrophobicContact CB-CB 4.44Å; I12-F72 HydrophobicContact CB-CD1 4.43Å; I12-F72 HydrophobicContact CD1-CD1 3.88Å; I12-F72 HydrophobicContact CD1-CE1 4.29Å; I12-F72 HydrophobicContact CG1-CD1 4.1Å; I12-F72 PolarHBondContact N-O 3.34Å; I12-F72 PolarHBondContact O-N 2.94Å; W28-F72 HydrophobicContact CB-CD2 3.94Å; W28-F72 HydrophobicContact CB-CE2 4.2Å; W28-F72 HydrophobicContact CD2-CB 3.55Å; W28-F72 AromaticContact CD2-CD2 3.83Å; W28-F72 HydrophobicContact CD2-CD2 3.83Å; W28-F72 AromaticContact CD2-CG 3.88Å; W28-F72 HydrophobicContact CD2-CG 3.88Å; W28-F72 HydrophobicContact CE3-CB 3.79Å; W28-F72 HydrophobicContact CE3-CD2 4.23Å; W28-F72 AromaticContact CE3-CG 3.99Å; W28-F72 HydrophobicContact CE3-CG 3.99Å; W28-F72 HydrophobicContact CG-CB 4.18Å; W28-F72 AromaticContact CG-CD2 3.67Å; W28-F72 HydrophobicContact CG-CD2 3.67Å; W28-F72 HydrophobicContact CG-CE2 4.4Å; W28-F72 HydrophobicContact CG-CG 4.23Å; W28-F72 HydrophobicContact CH2-CB 3.66Å; W28-F72 HydrophobicContact CZ2-CB 3.44Å; W28-F72 VanDerWaalsContact CZ2-CB 3.44Å; W28-F72 HydrophobicContact CZ3-CB 3.85Å; W28-F72 HydrophobicContact CZ3-CG 4.36Å; L40-F72 HydrophobicContact CB-CE2 4.3Å; L40-F72 HydrophobicContact CD1-CE2 3.88Å; L40-F72 HydrophobicContact CD1-CZ 3.71Å; L59-F72 HydrophobicContact CD1-CE2 4.21Å; L59-F72 HydrophobicContact CD2-CD2 4.48Å; L59-F72 HydrophobicContact CD2-CE1 4.28Å; L59-F72 HydrophobicContact CD2-CE2 3.42Å; L59-F72 VanDerWaalsContact CD2-CE2 3.42Å; L59-F72 HydrophobicContact CD2-CZ 3.3Å; L59-F72 HydrophobicContact CG-CE2 4.37Å; I61-F72 HydrophobicContact CG1-CD2 4.03Å; F72-M74 HydrophobicContact CE1-CB 3.92Å; F72-M74 HydrophobicContact CZ-CB 4.21Å; 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 4.18Å; F72-Y85 HydrophobicContact CZ-CE1 4.02Å
73	Q	95.5	Very high	94.6	Very high	81 Å²	81	49.6 Å²	49.6	38%	0.379	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.8	175.8	-173.5	170.3	7.3	0	0	109.7	L10 L59 S60 N75	L10-Q73 CarbonylContact O-C 3.55Å; L10-Q73 VanDerWaalsContact O-CA 3.27Å; L10-Q73 WeakPolarHBondContact O-CA 3.26Å; L59-Q73 CarbonylContact C-O 3.44Å; L59-Q73 WeakPolarHBondContact CA-O 3.43Å; S60-Q73 PolarHBondContact N-O 3.39Å; S60-Q73 PolarHBondContact O-N 2.84Å; Q73-N75 PolarHBondContact NE2-OD1 2.86Å
74	M	94.6	Very high	94.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.6	171	-177.3	-179.5	-78.7	0	0	108.7	S9 L10 F55 R58 L59 F72 L77 D81 Y85	S9-M74 CarbonylContact C-O 3.44Å; S9-M74 VanDerWaalsContact CA-O 3.28Å; S9-M74 WeakPolarHBondContact CA-O 3.03Å; L10-M74 PolarHBondContact N-O 2.83Å; L10-M74 PolarHBondContact O-N 3.3Å; F55-M74 HydrophobicContact CD1-CE 4.21Å; R58-M74 HydrophobicContact CB-CG 4.49Å; R58-M74 CarbonylContact O-C 3.44Å; R58-M74 WeakPolarHBondContact O-CA 3.35Å; L59-M74 HydrophobicContact CD2-CB 3.87Å; L59-M74 HydrophobicContact CD2-CE 3.43Å; L59-M74 VanDerWaalsContact CD2-CE 3.43Å; L59-M74 HydrophobicContact CD2-CG 3.96Å; L59-M74 HydrophobicContact CG-CE 4.45Å; F72-M74 HydrophobicContact CE1-CB 3.92Å; F72-M74 HydrophobicContact CZ-CB 4.21Å; F72-M74 HydrophobicContact CZ-CE 3.99Å; M74-L77 HydrophobicContact CB-CD2 4.27Å; M74-L77 HydrophobicContact CG-CD2 3.96Å; M74-L77 HydrophobicContact SD-CD2 3.66Å; M74-D81 HydrophobicContact SD-CB 4.03Å; M74-D81 VanDerWaalsContact SD-CG 3.55Å; M74-Y85 HydrophobicContact CE-CE1 4.4Å
75	N	94	Very high	94.7	Very high	58 Å²	58	48.5 Å²	48.5	31%	0.31	27%	0.266	S	S	.	.			trans	-96	159.5	177.4	-62.3	-43.6	0	0	0	111	S9 R58 Q73 L77	S9-N75 WeakPolarHBondContact CB-OD1 3.35Å; S9-N75 PolarHBondContact OG-OD1 3Å; R58-N75 WeakPolarHBondContact CB-O 3.24Å; R58-N75 PolarHBondContact NH1-O 3.31Å; R58-N75 PolarHBondContact O-N 3.03Å; Q73-N75 PolarHBondContact NE2-OD1 2.86Å; N75-L77 PolarHBondContact O-N 2.71Å
76	S	92.4	Very high	94.8	Very high	69 Å²	69	47.3 Å²	47.3	48%	0.483	26%	0.256	S	S	.	.	S	Bend	trans	52.2	57.9	175.8	-54	0	0	0	0	111.8	Q8 R58	Q8-S76 PolarHBondContact O-N 3.25Å; R58-S76 PolarHBondContact NH1-O 2.88Å
77	L	92.4	Very high	94.8	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.227	C	C	.	.			trans	-58.1	141.5	-179.4	-70.7	168	0	0	0	111.6	V4 P6 S7 Q8 L10 M74 N75 D81 V110	V4-L77 HydrophobicContact CB-CD1 3.94Å; V4-L77 HydrophobicContact CG1-CD1 4.45Å; V4-L77 HydrophobicContact CG2-CD1 3.77Å; P6-L77 WeakPolarHBondContact CA-O 3.25Å; S7-L77 PolarHBondContact N-O 2.03Å; Q8-L77 VanDerWaalsContact O-CG 3.26Å; Q8-L77 WeakPolarHBondContact O-CG 3Å; Q8-L77 PolarHBondContact O-N 3.29Å; L10-L77 HydrophobicContact CB-CD1 3.81Å; L10-L77 HydrophobicContact CB-CD2 3.94Å; L10-L77 HydrophobicContact CB-CG 4.27Å; L10-L77 HydrophobicContact CD2-CD2 4.4Å; M74-L77 HydrophobicContact CB-CD2 4.27Å; M74-L77 HydrophobicContact CG-CD2 3.96Å; M74-L77 HydrophobicContact SD-CD2 3.66Å; N75-L77 PolarHBondContact O-N 2.71Å; L77-D81 HydrophobicContact CD2-CB 4.12Å; L77-V110 HydrophobicContact CB-CG1 4.19Å; L77-V110 HydrophobicContact CB-CG2 4.2Å; L77-V110 HydrophobicContact CD1-CG2 4.41Å; L77-V110 HydrophobicContact CD2-CG2 4.42Å
78	Q	92.8	Very high	94.8	Very high	89 Å²	89	37.2 Å²	37.2	42%	0.416	20%	0.202	S	C	.	.			trans	-115.8	157	176.2	-63.9	175.2	8	0	0	109.1	N80 D81 V110	Q78-N80 WeakPolarHBondContact CB-OD1 3.34Å; Q78-N80 PolarHBondContact O-N 2.86Å; Q78-N80 VanDerWaalsContact O-N 3.15Å; Q78-N80 PolarHBondContact OE1-ND2 2.82Å; Q78-N80 VanDerWaalsContact OE1-ND2 3.09Å; Q78-N80 PolarHBondContact OE1-OD1 3.16Å; Q78-D81 PolarHBondContact N-OD2 2.84Å; Q78-D81 VanDerWaalsContact O-CB 3.28Å; Q78-D81 WeakPolarHBondContact O-CB 3.46Å; Q78-D81 PolarHBondContact O-N 2.87Å; Q78-V110 WeakPolarHBondContact O-CB 3.3Å; Q78-V110 WeakPolarHBondContact O-CG1 3.37Å; Q78-V110 WeakPolarHBondContact O-CG2 3.23Å
79	T	91.3	Very high	94.6	Very high	92 Å²	92	36.3 Å²	36.3	56%	0.564	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-57.4	-31.9	178.3	48.5	0	0	0	0	112.6	P6 D81 T82	P6-T79 HydrophobicContact CG-CG2 4.41Å; T79-D81 PolarHBondContact O-N 2.8Å; T79-T82 WeakPolarHBondContact O-CB 3.07Å; T79-T82 PolarHBondContact O-N 3.2Å; T79-T82 PolarHBondContact O-OG1 2.72Å
80	N	90.8	Very high	94	Very high	87 Å²	87	35.3 Å²	35.3	47%	0.465	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-70	-9.9	175.4	69.5	9.3	0	0	0	114.3	Q78 T82	Q78-N80 WeakPolarHBondContact CB-OD1 3.34Å; Q78-N80 PolarHBondContact O-N 2.86Å; Q78-N80 VanDerWaalsContact O-N 3.15Å; Q78-N80 PolarHBondContact OE1-ND2 2.82Å; Q78-N80 VanDerWaalsContact OE1-ND2 3.09Å; Q78-N80 PolarHBondContact OE1-OD1 3.16Å; N80-T82 PolarHBondContact O-N 3.35Å
81	D	93.7	Very high	92.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-83	0.2	174.7	-62.4	-44.1	0	0	0	111.9	R30 R58 M74 L77 Q78 T79 A83 Y85 V110	R30-D81 IonicContact CZ-OD1 3.36Å; R30-D81 IonicContact NH1-OD1 2.97Å; R30-D81 PolarHBondContact NH1-OD1 3.15Å; R58-D81 IonicContact CZ-OD1 3.58Å; R58-D81 IonicContact CZ-OD2 3.88Å; R58-D81 IonicContact NH1-OD1 3.63Å; R58-D81 IonicContact NH1-OD2 2.64Å; R58-D81 PolarHBondContact NH1-OD2 2.98Å; R58-D81 IonicContact NH2-OD1 2.96Å; R58-D81 PolarHBondContact NH2-OD1 2.97Å; R58-D81 IonicContact NH2-OD2 3.43Å; R58-D81 PolarHBondContact NH2-OD2 2.81Å; M74-D81 HydrophobicContact SD-CB 4.03Å; M74-D81 VanDerWaalsContact SD-CG 3.55Å; L77-D81 HydrophobicContact CD2-CB 4.12Å; Q78-D81 PolarHBondContact N-OD2 2.84Å; Q78-D81 VanDerWaalsContact O-CB 3.28Å; Q78-D81 WeakPolarHBondContact O-CB 3.46Å; Q78-D81 PolarHBondContact O-N 2.87Å; T79-D81 PolarHBondContact O-N 2.8Å; D81-A83 PolarHBondContact O-N 3Å; D81-A83 VanDerWaalsContact O-N 3.15Å; D81-Y85 WeakPolarHBondContact O-CE2 3.27Å; D81-Y85 PolarHBondContact O-OH 3.35Å; D81-V110 HydrophobicContact CB-CG2 4.27Å
82	T	95.5	Very high	91.2	Very high	35 Å²	35	39.7 Å²	39.7	22%	0.215	22%	0.216	C	C	.	.			trans	-60.5	113.5	168.5	-63	0	0	0	0	110.2	S32 T79 N80 V108 T109 V110	S32-T82 PolarHBondContact OG-O 3.39Å; T79-T82 WeakPolarHBondContact O-CB 3.07Å; T79-T82 PolarHBondContact O-N 3.2Å; T79-T82 PolarHBondContact O-OG1 2.72Å; N80-T82 PolarHBondContact O-N 3.35Å; T82-V108 WeakPolarHBondContact CA-O 3.33Å; T82-T109 HydrophobicContact CG2-CG2 4.49Å; T82-V110 PolarHBondContact OG1-N 2.87Å; T82-V110 PolarHBondContact OG1-O 3.47Å
83	A	96.3	Very high	89.4	Confident	4 Å²	4	42.9 Å²	42.9	3%	0.033	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	168.8	-175.1	0	0	0	0	0	111	R30 Q31 D81 Y85 V108	R30-A83 HydrophobicContact CB-CB 3.93Å; R30-A83 HydrophobicContact CG-CB 4.35Å; Q31-A83 WeakPolarHBondContact O-CA 3.1Å; Q31-A83 WeakPolarHBondContact O-CB 3.42Å; D81-A83 PolarHBondContact O-N 3Å; D81-A83 VanDerWaalsContact O-N 3.15Å; A83-Y85 HydrophobicContact CB-CD2 4.34Å; A83-Y85 HydrophobicContact CB-CE2 3.85Å; A83-Y85 WeakPolarHBondContact O-CD2 3.37Å; A83-V108 PolarHBondContact N-O 2.94Å; A83-V108 VanDerWaalsContact N-O 3.12Å; A83-V108 PolarHBondContact O-N 2.82Å
84	I	96.9	Very high	87.4	Confident	60 Å²	60	51.3 Å²	51.3	31%	0.308	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.8	160.8	-53.6	173.6	0	0	0	107.9	R30 Q31 Y86 T106	R30-I84 CarbonylContact C-O 3.46Å; R30-I84 WeakPolarHBondContact CA-O 3.36Å; Q31-I84 PolarHBondContact N-O 3.4Å; Q31-I84 PolarHBondContact O-N 2.99Å; I84-Y86 HydrophobicContact CB-CE2 3.87Å; I84-Y86 HydrophobicContact CG2-CD1 4.35Å; I84-Y86 HydrophobicContact CG2-CD2 4.39Å; I84-Y86 HydrophobicContact CG2-CE1 3.65Å; I84-Y86 HydrophobicContact CG2-CE2 3.71Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.34Å; I84-Y86 WeakPolarHBondContact O-CE2 3.34Å; I84-T106 CarbonylContact C-O 3.53Å; I84-T106 WeakPolarHBondContact CA-O 3.35Å
85	Y	96.9	Very high	85.5	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.5	180	-70.2	-100.9	0	0	0	110.4	L10 I12 V29 R30 L40 F72 M74 D81 A83 G105 T106 V108	L10-Y85 HydrophobicContact CD2-CE2 4.31Å; I12-Y85 VanDerWaalsContact CD1-CB 3.44Å; I12-Y85 HydrophobicContact CD1-CD1 3.96Å; I12-Y85 HydrophobicContact CD1-CD2 4.2Å; I12-Y85 HydrophobicContact CD1-CG 3.6Å; V29-Y85 CarbonylContact O-C 3.54Å; R30-Y85 HydrophobicContact CB-CD1 3.96Å; R30-Y85 HydrophobicContact CB-CE1 3.98Å; R30-Y85 HydrophobicContact CB-CG 4.33Å; L40-Y85 HydrophobicContact CD1-CD1 3.8Å; L40-Y85 HydrophobicContact CD1-CE1 3.73Å; 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 4.18Å; F72-Y85 HydrophobicContact CZ-CE1 4.02Å; M74-Y85 HydrophobicContact CE-CE1 4.4Å; D81-Y85 WeakPolarHBondContact O-CE2 3.27Å; D81-Y85 PolarHBondContact O-OH 3.35Å; A83-Y85 HydrophobicContact CB-CD2 4.34Å; A83-Y85 HydrophobicContact CB-CE2 3.85Å; A83-Y85 WeakPolarHBondContact O-CD2 3.37Å; Y85-G105 CarbonylContact O-C 3.59Å; Y85-G105 VanDerWaalsContact O-CA 3.24Å; Y85-G105 WeakPolarHBondContact O-CA 3.28Å; Y85-T106 PolarHBondContact N-O 3.12Å; Y85-T106 PolarHBondContact O-N 3.45Å; Y85-V108 HydrophobicContact CD2-CB 4.02Å; Y85-V108 HydrophobicContact CD2-CG2 3.79Å; Y85-V108 HydrophobicContact CE2-CB 3.87Å; Y85-V108 HydrophobicContact CE2-CG2 4.08Å
86	Y	96.4	Very high	83.7	Confident	39 Å²	39	54.2 Å²	54.2	15%	0.153	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.5	-178.6	-53.4	-86.4	0	0	0	110	W28 V29 Q31 L37 I84 W102	W28-Y86 WeakPolarHBondContact CA-O 3.41Å; V29-Y86 PolarHBondContact N-O 2.89Å; V29-Y86 PolarHBondContact O-N 3.34Å; Q31-Y86 HydrophobicContact CB-CE2 3.86Å; Q31-Y86 PolarHBondContact OE1-OH 2.87Å; L37-Y86 HydrophobicContact CD2-CD2 4.39Å; L37-Y86 HydrophobicContact CD2-CE2 4.28Å; I84-Y86 HydrophobicContact CB-CE2 3.87Å; I84-Y86 HydrophobicContact CG2-CD1 4.35Å; I84-Y86 HydrophobicContact CG2-CD2 4.39Å; I84-Y86 HydrophobicContact CG2-CE1 3.65Å; I84-Y86 HydrophobicContact CG2-CE2 3.71Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.34Å; I84-Y86 WeakPolarHBondContact O-CE2 3.34Å; Y86-W102 HydrophobicContact CG-CE3 4.19Å; Y86-W102 HydrophobicContact CG-CZ3 4.32Å
87	C	95.1	Very high	82.3	Confident	16 Å²	16	59.7 Å²	59.7	11%	0.108	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141	160	57.4	0	0	0	0	109	C14 V26 H27 W28 G103	C14-C87 HydrophobicContact CB-CB 3.5Å; C14-C87 VanDerWaalsContact CB-CB 3.5Å; C14-C87 WeakPolarHBondContact CB-SG 3.46Å; C14-C87 WeakPolarHBondContact SG-CB 3.26Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.03Å; V26-C87 HydrophobicContact CG1-CB 3.87Å; H27-C87 CarbonylContact O-C 3.6Å; H27-C87 VanDerWaalsContact O-CA 3.27Å; H27-C87 WeakPolarHBondContact O-CA 3.49Å; W28-C87 HydrophobicContact CD2-CB 4.41Å; W28-C87 HydrophobicContact CE3-CB 4.26Å; W28-C87 HydrophobicContact CH2-CB 4.18Å; W28-C87 HydrophobicContact CZ2-CB 4.28Å; W28-C87 HydrophobicContact CZ3-CB 4.15Å; C87-G103 PolarHBondContact O-N 3.31Å
88	A	93.9	Very high	81.1	Confident	2 Å²	2	61 Å²	61	2%	0.017	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.3	177	0	0	0	0	0	111.1	V26 H27 M99 Y101 W102	V26-A88 CarbonylContact C-O 3.55Å; V26-A88 WeakPolarHBondContact CA-O 3.39Å; H27-A88 HydrophobicContact CB-CB 4.45Å; H27-A88 PolarHBondContact N-O 2.83Å; H27-A88 PolarHBondContact O-N 2.87Å; A88-M99 HydrophobicContact CB-CB 4.29Å; A88-M99 HydrophobicContact CB-CG 4.44Å; A88-M99 HydrophobicContact CB-SD 4.23Å; A88-Y101 CarbonylContact C-O 3.59Å; A88-Y101 WeakPolarHBondContact CA-O 3.5Å; A88-W102 HydrophobicContact CB-CD2 3.78Å; A88-W102 HydrophobicContact CB-CE3 4.06Å; A88-W102 HydrophobicContact CB-CG 4.18Å; A88-W102 HydrophobicContact CB-CH2 4.41Å; A88-W102 HydrophobicContact CB-CZ2 4.16Å; A88-W102 HydrophobicContact CB-CZ3 4.37Å
89	R	91.8	Very high	80.3	Confident	25 Å²	25	60.3 Å²	60.3	9%	0.094	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	138.6	176.5	-174.3	174	82.3	164.6	15.7	110	F19 D91 M99 D100 Y101	F19-R89 HydrophobicContact CD1-CG 4.39Å; F19-R89 HydrophobicContact CD2-CG 4.06Å; F19-R89 HydrophobicContact CE1-CB 4.05Å; F19-R89 HydrophobicContact CE1-CG 4.16Å; F19-R89 HydrophobicContact CE2-CB 4.3Å; F19-R89 HydrophobicContact CE2-CG 3.81Å; F19-R89 VanDerWaalsContact CG-CD 3.45Å; F19-R89 HydrophobicContact CG-CG 4.33Å; F19-R89 HydrophobicContact CZ-CB 3.83Å; F19-R89 HydrophobicContact CZ-CG 3.84Å; R89-D91 IonicContact CZ-OD2 3.98Å; R89-D91 IonicContact NE-OD2 3.49Å; R89-D91 IonicContact NH2-OD2 3.4Å; R89-D91 PolarHBondContact NH2-OD2 2.69Å; R89-M99 WeakPolarHBondContact O-CA 3.43Å; R89-D100 IonicContact CZ-OD1 2.85Å; R89-D100 IonicContact CZ-OD2 3.36Å; R89-D100 IonicContact NE-OD1 3.86Å; R89-D100 PolarHBondContact NE-OD1 3.27Å; R89-D100 IonicContact NE-OD2 2.71Å; R89-D100 IonicContact NH2-OD1 2.82Å; R89-D100 IonicContact NH2-OD2 3.58Å; R89-D100 PolarHBondContact NH2-OD2 3.06Å; R89-Y101 HydrophobicContact CB-CD2 4.46Å; R89-Y101 PolarHBondContact N-O 3.4Å; R89-Y101 VanDerWaalsContact NH2-CE2 3.28Å
90	K	84.4	Confident	79.6	Confident	26 Å²	26	59.3 Å²	59.3	11%	0.113	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	107.9	161.1	-172.2	-165.9	179.5	-159.5	0	107.7	G25 H27 V42 F44 Y97	G25-K90 PolarHBondContact N-O 2.81Å; G25-K90 VanDerWaalsContact N-O 3.16Å; G25-K90 PolarHBondContact O-N 2.99Å; H27-K90 WeakPolarHBondContact NE2-CB 3.48Å; H27-K90 WeakPolarHBondContact NE2-CG 3.46Å; V42-K90 HydrophobicContact CG2-CD 4.38Å; F44-K90 HydrophobicContact CD1-CD 3.84Å; F44-K90 VanDerWaalsContact CD1-NZ 3.28Å; F44-K90 HydrophobicContact CE1-CD 3.93Å; K90-Y97 VanDerWaalsContact CE-CE1 3.42Å
91	D	71	Confident	79.4	Confident	42 Å²	42	61 Å²	61	23%	0.225	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.4	167.4	-152.2	-18.4	0	0	0	110.5	R89 T93 A98	R89-D91 IonicContact CZ-OD2 3.98Å; R89-D91 IonicContact NE-OD2 3.49Å; R89-D91 IonicContact NH2-OD2 3.4Å; R89-D91 PolarHBondContact NH2-OD2 2.69Å; D91-T93 HydrophobicContact CB-CG2 4.37Å; D91-A98 PolarHBondContact N-O 3.23Å; D91-A98 PolarHBondContact O-N 3.43Å
92	V	62.5	Low	79.3	Confident	104 Å²	104	65.9 Å²	65.9	63%	0.63	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	88.9	171.6	-177	0	0	0	0	106.2
93	T	60.4	Low	79.1	Confident	67 Å²	67	65.5 Å²	65.5	41%	0.411	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	159.2	173	59.7	0	0	0	0	109.9	D91 G95 G96	D91-T93 HydrophobicContact CB-CG2 4.37Å; T93-G95 PolarHBondContact O-N 3.3Å; T93-G96 PolarHBondContact N-O 3.27Å; T93-G96 PolarHBondContact O-N 2.92Å; T93-G96 PolarHBondContact OG1-O 2.81Å
94	Y	53	Low	78.9	Confident	258 Å²	258	74.4 Å²	74.4	100%	1.012	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	18.3	-175.4	-84.9	-89.2	0	0	0	116.1
95	G	53.8	Low	78.8	Confident	81 Å²	81	72.9 Å²	72.9	84%	0.835	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159.8	5.9	177.9	0	0	0	0	0	116.3	T93	T93-G95 PolarHBondContact O-N 3.3Å
96	G	56.9	Low	78.7	Confident	37 Å²	37	74.2 Å²	74.2	38%	0.381	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	165.7	176.8	177.9	0	0	0	0	0	115.8	T93	T93-G96 PolarHBondContact N-O 3.27Å; T93-G96 PolarHBondContact O-N 2.92Å; T93-G96 PolarHBondContact OG1-O 2.81Å
97	Y	63.6	Low	78.7	Confident	184 Å²	184	75.8 Å²	75.8	72%	0.722	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	114.8	171.9	-58.7	-63.1	0	0	0	109.6	K90	K90-Y97 VanDerWaalsContact CE-CE1 3.42Å
98	A	65.7	Low	78.6	Confident	30 Å²	30	75 Å²	75	25%	0.248	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.7	175.6	0	0	0	0	0	111	D91 D100	D91-A98 PolarHBondContact N-O 3.23Å; D91-A98 PolarHBondContact O-N 3.43Å; A98-D100 HydrophobicContact CB-CB 4.46Å
99	M	77	Confident	78.7	Confident	75 Å²	75	77.8 Å²	77.8	37%	0.369	42%	0.42	S	S	.	.			trans	-104.7	71.1	165.2	-65.6	-169.3	-164.9	0	0	109	H27 A88 R89 W102	H27-M99 HydrophobicContact CB-CE 4.07Å; H27-M99 HydrophobicContact CB-SD 4.35Å; A88-M99 HydrophobicContact CB-CB 4.29Å; A88-M99 HydrophobicContact CB-CG 4.44Å; A88-M99 HydrophobicContact CB-SD 4.23Å; R89-M99 WeakPolarHBondContact O-CA 3.43Å; M99-W102 HydrophobicContact CB-CZ2 4Å; M99-W102 PolarHBondContact O-NE1 3.3Å; M99-W102 HydrophobicContact SD-CH2 4.13Å; M99-W102 HydrophobicContact SD-CZ2 3.72Å
100	D	76.3	Confident	78.7	Confident	71 Å²	71	76.9 Å²	76.9	38%	0.38	42%	0.416	S	S	.	.			trans	-86.5	-22.1	-169.2	52.6	-10.1	0	0	0	114	R89 A98	R89-D100 IonicContact CZ-OD1 2.85Å; R89-D100 IonicContact CZ-OD2 3.36Å; R89-D100 IonicContact NE-OD1 3.86Å; R89-D100 PolarHBondContact NE-OD1 3.27Å; R89-D100 IonicContact NE-OD2 2.71Å; R89-D100 IonicContact NH2-OD1 2.82Å; R89-D100 IonicContact NH2-OD2 3.58Å; R89-D100 PolarHBondContact NH2-OD2 3.06Å; A98-D100 HydrophobicContact CB-CB 4.46Å
101	Y	86	Confident	78.8	Confident	122 Å²	122	77.7 Å²	77.7	48%	0.478	43%	0.426	S	S	.	.			trans	-120.1	127.2	174.6	-67.1	-93.6	0	0	0	111.1	A88 R89	A88-Y101 CarbonylContact C-O 3.59Å; A88-Y101 WeakPolarHBondContact CA-O 3.5Å; R89-Y101 HydrophobicContact CB-CD2 4.46Å; R89-Y101 PolarHBondContact N-O 3.4Å; R89-Y101 VanDerWaalsContact NH2-CE2 3.28Å
102	W	91.9	Very high	79.2	Confident	103 Å²	103	82.7 Å²	82.7	39%	0.39	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-119.5	137.9	177.8	-70.6	71.9	0	0	0	110.7	V29 L37 Y86 A88 M99	V29-W102 HydrophobicContact CB-CH2 4.18Å; V29-W102 HydrophobicContact CB-CZ3 3.94Å; V29-W102 HydrophobicContact CG1-CH2 4.11Å; V29-W102 HydrophobicContact CG1-CZ3 4.06Å; V29-W102 HydrophobicContact CG2-CH2 3.92Å; V29-W102 HydrophobicContact CG2-CZ3 4.1Å; L37-W102 HydrophobicContact CD1-CH2 3.95Å; L37-W102 HydrophobicContact CD1-CZ3 4.4Å; L37-W102 HydrophobicContact CD2-CZ3 4.42Å; Y86-W102 HydrophobicContact CG-CE3 4.19Å; Y86-W102 HydrophobicContact CG-CZ3 4.32Å; A88-W102 HydrophobicContact CB-CD2 3.78Å; A88-W102 HydrophobicContact CB-CE3 4.06Å; A88-W102 HydrophobicContact CB-CG 4.18Å; A88-W102 HydrophobicContact CB-CH2 4.41Å; A88-W102 HydrophobicContact CB-CZ2 4.16Å; A88-W102 HydrophobicContact CB-CZ3 4.37Å; M99-W102 HydrophobicContact CB-CZ2 4Å; M99-W102 PolarHBondContact O-NE1 3.3Å; M99-W102 HydrophobicContact SD-CH2 4.13Å; M99-W102 HydrophobicContact SD-CZ2 3.72Å
103	G	91.5	Very high	80	Confident	27 Å²	27	81.6 Å²	81.6	28%	0.278	46%	0.455	S	S	.	.			trans	-68.6	159.3	166.3	0	0	0	0	0	111.4	C87 G105	C87-G103 PolarHBondContact O-N 3.31Å; G103-G105 PolarHBondContact O-N 3.37Å
104	Q	92.6	Very high	81	Confident	191 Å²	191	82.4 Å²	82.4	89%	0.893	46%	0.458	S	S	*	.			trans	-62.9	-12.1	180	-66.1	-63	-39	0	0	114.3
105	G	93.6	Very high	82.6	Confident	28 Å²	28	72.6 Å²	72.6	29%	0.289	43%	0.427	S	S	.	.			trans	88.2	154.2	-177	0	0	0	0	0	112.7	Y85 G103	Y85-G105 CarbonylContact O-C 3.59Å; Y85-G105 VanDerWaalsContact O-CA 3.24Å; Y85-G105 WeakPolarHBondContact O-CA 3.28Å; G103-G105 PolarHBondContact O-N 3.37Å
106	T	95.6	Very high	84.3	Confident	30 Å²	30	72.1 Å²	72.1	18%	0.184	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	111.1	179.4	-86.7	0	0	0	0	107.7	P1 I12 I84 Y85 V108	P1-T106 HydrophobicContact CB-CG2 3.25Å; P1-T106 HydrophobicContact CG-CG2 3.2Å; I12-T106 HydrophobicContact CD1-CG2 3.96Å; I12-T106 HydrophobicContact CG1-CG2 4.28Å; I12-T106 HydrophobicContact CG2-CG2 4.06Å; I84-T106 CarbonylContact C-O 3.53Å; I84-T106 WeakPolarHBondContact CA-O 3.35Å; Y85-T106 PolarHBondContact N-O 3.12Å; Y85-T106 PolarHBondContact O-N 3.45Å; T106-V108 HydrophobicContact CG2-CG2 3.74Å
107	S	95.4	Very high	86	Confident	72 Å²	72	74.3 Å²	74.3	50%	0.503	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.6	175.3	-171.6	0	0	0	0	110.3
108	V	94.8	Very high	87.5	Confident	1 Å²	1	67 Å²	67	1%	0.006	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.7	177.5	179.7	0	0	0	0	108.7	P1 V4 L10 T82 A83 Y85 T106 V110	P1-V108 HydrophobicContact CB-CG2 4.31Å; V4-V108 HydrophobicContact CG2-CG1 3.65Å; L10-V108 HydrophobicContact CD1-CG1 4.18Å; L10-V108 HydrophobicContact CD1-CG2 3.95Å; L10-V108 HydrophobicContact CD2-CB 4.46Å; L10-V108 HydrophobicContact CD2-CG1 4.03Å; L10-V108 HydrophobicContact CD2-CG2 3.97Å; T82-V108 WeakPolarHBondContact CA-O 3.33Å; A83-V108 PolarHBondContact N-O 2.94Å; A83-V108 VanDerWaalsContact N-O 3.12Å; A83-V108 PolarHBondContact O-N 2.82Å; Y85-V108 HydrophobicContact CD2-CB 4.02Å; Y85-V108 HydrophobicContact CD2-CG2 3.79Å; Y85-V108 HydrophobicContact CE2-CB 3.87Å; Y85-V108 HydrophobicContact CE2-CG2 4.08Å; T106-V108 HydrophobicContact CG2-CG2 3.74Å; V108-V110 HydrophobicContact CG1-CG2 4.44Å
109	T	94.4	Very high	89	Confident	60 Å²	60	69.6 Å²	69.6	37%	0.368	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.8	177.4	-56.9	0	0	0	0	109	L3 V4 T82	L3-T109 WeakPolarHBondContact CA-O 3.45Å; L3-T109 HydrophobicContact CD1-CG2 3.82Å; V4-T109 VanDerWaalsContact CG2-O 3.29Å; V4-T109 WeakPolarHBondContact CG2-O 3.17Å; V4-T109 PolarHBondContact N-O 2.59Å; T82-T109 HydrophobicContact CG2-CG2 4.49Å
110	V	91.7	Very high	90	Very high	5 Å²	5	69.2 Å²	69.2	3%	0.03	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	108.3	175.3	-172.5	0	0	0	0	108.8	V4 P6 L77 Q78 D81 T82 V108	V4-V110 HydrophobicContact CG2-CB 4.42Å; V4-V110 HydrophobicContact CG2-CG2 3.77Å; V4-V110 VanDerWaalsContact O-CA 3.27Å; V4-V110 WeakPolarHBondContact O-CA 3.39Å; P6-V110 HydrophobicContact CG-CG1 4.22Å; L77-V110 HydrophobicContact CB-CG1 4.19Å; L77-V110 HydrophobicContact CB-CG2 4.2Å; L77-V110 HydrophobicContact CD1-CG2 4.41Å; L77-V110 HydrophobicContact CD2-CG2 4.42Å; Q78-V110 WeakPolarHBondContact O-CB 3.3Å; Q78-V110 WeakPolarHBondContact O-CG1 3.37Å; Q78-V110 WeakPolarHBondContact O-CG2 3.23Å; D81-V110 HydrophobicContact CB-CG2 4.27Å; T82-V110 PolarHBondContact OG1-N 2.87Å; T82-V110 PolarHBondContact OG1-O 3.47Å; V108-V110 HydrophobicContact CG1-CG2 4.44Å
111	S	88.1	Confident	91.1	Very high	44 Å²	44	69.1 Å²	69.1	31%	0.308	40%	0.396	S	S	.	.			trans	-143	154.6	176.5	73.2	0	0	0	0	111.7	L3 V4	L3-S111 WeakPolarHBondContact CD1-OG 3.43Å; V4-S111 PolarHBondContact O-N 3.49Å; V4-S111 VanDerWaalsContact O-N 3.15Å
112	S	77.5	Confident	91.6	Very high	146 Å²	146	64.3 Å²	64.3	100%	1.021	39%	0.388	S	S	*	.			trans	-74.6	0	172.8	57.4	0	0	0	0	111.9

Retrieved 112 of 112 residues in 31.5 ms (Link to these results)

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