A0A096NCY9_PAPAN Loading...

SH2 domain-containing protein 1A

Cytoplasmic adapter regulating receptors of the signaling lymphocytic activation molecule (SLAM) family such as SLAMF1, CD244, LY9, CD84, SLAMF6 and SLAMF7. In SLAM signaling seems to cooperate with SH2D1B/EAT-2. Initially it has been proposed that association with SLAMF1 prevents SLAMF1 binding to inhibitory effectors including INPP5D/SHIP1 and PTPN11/SHP-2. However, by simultaneous interactions, recruits FYN which subsequently phosphorylates and activates SLAMF1. Positively regulates CD244/2B4- and CD84-mediated natural killer (NK) cell functions. Can also promote CD48-, SLAMF6 -, LY9-, and SLAMF7-mediated NK cell activation. In the context of NK cell-mediated cytotoxicity enhances conjugate formation with target cells. May also regulate the activity of the neurotrophin receptors NTRK1, NTRK2 and NTRK3.

AlphaFold DB (Q71S10), UniProt , Accession A0A096NCY9, Species PAPAN (Papio anubis, Olive baboon), Gene SH2D1A, Length 128 aa.

						>A0A096NCY9_PAPAN|A0A096NCY9|SH2D1A
MDAVAVYHGKISRETGEKLLLATGLDGSYLLRDSESVPGVYCLCVLYHGYIYTYRVSQTETGSWSAETAPGVHKRYFRKIKNLISAFQKPDQGIVIPLQYPVEKKSSARSTQGTTGIREDPDVCLKAP
					

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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	M	52.6	Low	84.4	Confident	133 Å²	133	63.4 Å²	63.4	66%	0.655	35%	0.354	S	S	*	.				0	119.9	0	-82.8	167.6	170	0	0	107.6	A3 Y7 Y41	M1-A3 PolarHBondContact O-N 3.33Å; M1-A3 VanDerWaalsContact O-N 3.11Å; M1-Y7 HydrophobicContact SD-CE1 4.06Å; M1-Y41 HydrophobicContact CE-CE1 3.37Å; M1-Y41 HydrophobicContact CE-CE2 4.43Å; M1-Y41 WeakPolarHBondContact CE-OH 3.36Å
2	D	57.8	Low	85.3	Confident	71 Å²	71	60.8 Å²	60.8	38%	0.38	34%	0.343	S	S	.	.			trans	-52.7	119.7	160.5	-71.5	-98.9	0	0	0	106.6	V4 K79	D2-V4 PolarHBondContact O-N 2.97Å; D2-K79 IonicContact OD1-NZ 2.81Å; D2-K79 PolarHBondContact OD1-NZ 3.01Å; D2-K79 WeakPolarHBondContact OD2-CD 3.39Å; D2-K79 WeakPolarHBondContact OD2-CE 3.33Å; D2-K79 IonicContact OD2-NZ 3.31Å; D2-K79 PolarHBondContact OD2-NZ 3.44Å
3	A	73.4	Confident	86	Confident	105 Å²	105	65.9 Å²	65.9	87%	0.868	35%	0.354	S	S	*	.			trans	-65.7	105.9	-177.9	0	0	0	0	0	108.9	M1	M1-A3 PolarHBondContact O-N 3.33Å; M1-A3 VanDerWaalsContact O-N 3.11Å
4	V	88.9	Confident	86.7	Confident	30 Å²	30	67.3 Å²	67.3	18%	0.182	36%	0.357	C	S	.	.			trans	-91.2	129.7	172.5	-171.7	0	0	0	0	108	D2 V6 Y7 I80 I84	D2-V4 PolarHBondContact O-N 2.97Å; V4-V6 HydrophobicContact CG1-CG2 3.5Å; V4-V6 PolarHBondContact O-N 3.15Å; V4-Y7 VanDerWaalsContact O-CB 3.28Å; V4-Y7 WeakPolarHBondContact O-CB 3.43Å; V4-Y7 PolarHBondContact O-N 3Å; V4-I80 HydrophobicContact CG2-CG2 3.6Å; V4-I84 HydrophobicContact CG1-CD1 3.74Å; V4-I84 HydrophobicContact CG2-CD1 4.49Å
5	A	91.8	Very high	87.3	Confident	51 Å²	51	66.9 Å²	66.9	42%	0.421	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.2	-177.4	0	0	0	0	0	113.5	Y7 E103 K104	A5-Y7 PolarHBondContact O-N 3.27Å; A5-E103 HydrophobicContact CB-CB 4.32Å; A5-E103 HydrophobicContact CB-CG 3.75Å; A5-E103 WeakPolarHBondContact O-CA 3.17Å; A5-K104 PolarHBondContact O-N 3.28Å
6	V	94.7	Very high	87.8	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.024	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	0.4	176.4	-58.3	0	0	0	0	114.3	V4 H8 Y29 L31 I84 P101	V4-V6 HydrophobicContact CG1-CG2 3.5Å; V4-V6 PolarHBondContact O-N 3.15Å; V6-H8 PolarHBondContact O-CD2 3.28Å; V6-H8 VanDerWaalsContact O-CD2 3.3Å; V6-Y29 HydrophobicContact CB-CE2 4.3Å; V6-Y29 HydrophobicContact CG1-CD2 4.4Å; V6-Y29 HydrophobicContact CG1-CE2 3.86Å; V6-Y29 HydrophobicContact CG2-CD2 4.35Å; V6-Y29 HydrophobicContact CG2-CE2 3.92Å; V6-L31 HydrophobicContact CG2-CB 4.37Å; V6-L31 PolarHBondContact O-N 2.92Å; V6-I84 HydrophobicContact CG2-CD1 3.96Å; V6-P101 HydrophobicContact CG1-CB 3.24Å
7	Y	94.9	Very high	88.3	Confident	62 Å²	62	62.6 Å²	62.6	24%	0.243	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	111.6	178.1	175.9	-119.8	0	0	0	111	M1 V4 A5 G9 L31 D33 Y41	M1-Y7 HydrophobicContact SD-CE1 4.06Å; V4-Y7 VanDerWaalsContact O-CB 3.28Å; V4-Y7 WeakPolarHBondContact O-CB 3.43Å; V4-Y7 PolarHBondContact O-N 3Å; A5-Y7 PolarHBondContact O-N 3.27Å; Y7-G9 VanDerWaalsContact CZ-CA 3.48Å; Y7-L31 CarbonylContact C-O 3.54Å; Y7-L31 WeakPolarHBondContact CA-O 3.4Å; Y7-L31 HydrophobicContact CD2-CB 4.48Å; Y7-L31 HydrophobicContact CD2-CD2 3.92Å; Y7-L31 HydrophobicContact CD2-CG 4.22Å; Y7-D33 WeakPolarHBondContact CE2-OD1 3.48Å; Y7-D33 PolarHBondContact OH-OD1 3Å; Y7-Y41 HydrophobicContact CE2-CD1 4.14Å; Y7-Y41 HydrophobicContact CE2-CE1 4.22Å
8	H	93.9	Very high	88.7	Confident	14 Å²	14	67.3 Å²	67.3	7%	0.065	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-19	-179.2	-74.5	-107.4	0	0	0	113.2	V6 I11 L31 V102 K104	V6-H8 PolarHBondContact O-CD2 3.28Å; V6-H8 VanDerWaalsContact O-CD2 3.3Å; H8-I11 HydrophobicContact CB-CD1 3.55Å; H8-I11 HydrophobicContact CB-CG1 3.84Å; H8-I11 HydrophobicContact CB-CG2 3.93Å; H8-L31 PolarHBondContact N-O 2.83Å; H8-V102 PolarHBondContact NE2-O 3.12Å; H8-K104 PolarHBondContact O-NZ 3.12Å
9	G	92.9	Very high	89.1	Confident	7 Å²	7	66.9 Å²	66.9	7%	0.072	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.6	-141.5	-174.1	0	0	0	0	0	112.5	Y7 I11 R32 D33	Y7-G9 VanDerWaalsContact CZ-CA 3.48Å; G9-I11 PolarHBondContact O-N 2.96Å; G9-R32 WeakPolarHBondContact O-CA 3.28Å; G9-D33 PolarHBondContact O-N 2.84Å
10	K	92.4	Very high	89.5	Confident	189 Å²	189	63.6 Å²	63.6	82%	0.822	33%	0.331	S	S	*	.	S	Bend	trans	-78.8	65	-178.5	-62	-177.8	180	-173.9	0	112.1	D33	K10-D33 HydrophobicContact CG-CB 4.09Å; K10-D33 WeakPolarHBondContact CG-OD2 3.41Å
11	I	94.6	Very high	89.8	Confident	31 Å²	31	64.9 Å²	64.9	16%	0.159	34%	0.338	C	S	.	.			trans	-95.3	149.7	168.5	62.5	163.2	0	0	0	110.2	H8 G9 T15 L19 L30 R32	H8-I11 HydrophobicContact CB-CD1 3.55Å; H8-I11 HydrophobicContact CB-CG1 3.84Å; H8-I11 HydrophobicContact CB-CG2 3.93Å; G9-I11 PolarHBondContact O-N 2.96Å; I11-T15 HydrophobicContact CB-CG2 4.16Å; I11-T15 HydrophobicContact CG2-CG2 4.46Å; I11-L19 HydrophobicContact CD1-CD1 4.09Å; I11-L30 HydrophobicContact CD1-CD1 4.25Å; I11-R32 HydrophobicContact CD1-CB 4.16Å; I11-R32 HydrophobicContact CG1-CB 3.59Å; I11-R32 HydrophobicContact CG1-CG 4.44Å
12	S	95.5	Very high	91.8	Very high	33 Å²	33	62.8 Å²	62.8	23%	0.231	34%	0.342	C	S	.	.			trans	-68.9	159.9	176.7	84.4	0	0	0	0	111.6	E14 T15 G16 E35	S12-E14 VanDerWaalsContact C-N 3.3Å; S12-E14 VanDerWaalsContact CB-OE2 3.28Å; S12-E14 WeakPolarHBondContact CB-OE2 3.19Å; S12-E14 PolarHBondContact O-N 3.3Å; S12-E14 PolarHBondContact OG-N 3.24Å; S12-E14 PolarHBondContact OG-OE2 3.04Å; S12-T15 WeakPolarHBondContact O-CB 3.31Å; S12-T15 PolarHBondContact O-N 3.24Å; S12-T15 PolarHBondContact OG-N 2.84Å; S12-T15 VanDerWaalsContact OG-N 3.12Å; S12-T15 PolarHBondContact OG-OG1 2.95Å; S12-G16 PolarHBondContact O-N 3.38Å; S12-E35 VanDerWaalsContact CA-OE1 3.29Å; S12-E35 WeakPolarHBondContact CA-OE1 3.2Å; S12-E35 WeakPolarHBondContact CB-OE1 3.27Å
13	R	94.6	Very high	93.5	Very high	127 Å²	127	61.9 Å²	61.9	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-52.9	-49	171.4	-179	-178.2	60.9	-176.5	-1.9	111.3	T15 G16 E17 E35	R13-T15 PolarHBondContact O-N 2.8Å; R13-G16 PolarHBondContact O-N 2.98Å; R13-G16 VanDerWaalsContact O-N 3.14Å; R13-E17 HydrophobicContact CG-CG 4.41Å; R13-E17 WeakPolarHBondContact CG-OE1 3.47Å; R13-E17 WeakPolarHBondContact O-CG 3.47Å; R13-E17 PolarHBondContact O-N 3.21Å; R13-E35 WeakPolarHBondContact CB-OE2 3.45Å; R13-E35 PolarHBondContact N-OE1 2.99Å; R13-E35 PolarHBondContact N-OE2 2.9Å
14	E	96	Very high	94.5	Very high	85 Å²	85	59.7 Å²	59.7	40%	0.397	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-35.2	-178.1	-53.9	75.2	-155.2	0	0	111.4	S12 E17 K18	S12-E14 VanDerWaalsContact C-N 3.3Å; S12-E14 VanDerWaalsContact CB-OE2 3.28Å; S12-E14 WeakPolarHBondContact CB-OE2 3.19Å; S12-E14 PolarHBondContact O-N 3.3Å; S12-E14 PolarHBondContact OG-N 3.24Å; S12-E14 PolarHBondContact OG-OE2 3.04Å; E14-E17 PolarHBondContact O-N 3.12Å; E14-K18 WeakPolarHBondContact O-CB 3.37Å; E14-K18 VanDerWaalsContact O-CG 3.28Å; E14-K18 WeakPolarHBondContact O-CG 3.44Å; E14-K18 PolarHBondContact O-N 2.91Å
15	T	95.6	Very high	94.9	Very high	61 Å²	61	62.1 Å²	62.1	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-66	-44	176.8	-55.7	0	0	0	0	110.8	I11 S12 R13 K18 L19	I11-T15 HydrophobicContact CB-CG2 4.16Å; I11-T15 HydrophobicContact CG2-CG2 4.46Å; S12-T15 WeakPolarHBondContact O-CB 3.31Å; S12-T15 PolarHBondContact O-N 3.24Å; S12-T15 PolarHBondContact OG-N 2.84Å; S12-T15 VanDerWaalsContact OG-N 3.12Å; S12-T15 PolarHBondContact OG-OG1 2.95Å; R13-T15 PolarHBondContact O-N 2.8Å; T15-K18 PolarHBondContact O-N 3.47Å; T15-L19 HydrophobicContact CG2-CD1 4.44Å; T15-L19 WeakPolarHBondContact O-CG 3.44Å; T15-L19 PolarHBondContact O-N 3.22Å; T15-L19 VanDerWaalsContact O-N 3.11Å
16	G	95.7	Very high	95.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-43.9	175.6	0	0	0	0	0	112.5	S12 R13 L19 L20	S12-G16 PolarHBondContact O-N 3.38Å; R13-G16 PolarHBondContact O-N 2.98Å; R13-G16 VanDerWaalsContact O-N 3.14Å; G16-L19 PolarHBondContact O-N 3.09Å; G16-L20 WeakPolarHBondContact O-CG 3.4Å; G16-L20 PolarHBondContact O-N 3.08Å; G16-L20 VanDerWaalsContact O-N 3.08Å
17	E	95.7	Very high	95.2	Very high	61 Å²	61	62.3 Å²	62.3	29%	0.285	33%	0.331	S	S	.	.	H	α-helix	trans	-61	-46.1	176.7	-70.5	172	174.5	0	0	111.7	R13 E14 L19 L20 L21 I51	R13-E17 HydrophobicContact CG-CG 4.41Å; R13-E17 WeakPolarHBondContact CG-OE1 3.47Å; R13-E17 WeakPolarHBondContact O-CG 3.47Å; R13-E17 PolarHBondContact O-N 3.21Å; E14-E17 PolarHBondContact O-N 3.12Å; E17-L19 VanDerWaalsContact C-N 3.33Å; E17-L19 PolarHBondContact O-N 3.02Å; E17-L20 PolarHBondContact O-N 3.06Å; E17-L21 WeakPolarHBondContact O-CB 3.49Å; E17-L21 VanDerWaalsContact O-CG 3.27Å; E17-L21 WeakPolarHBondContact O-CG 3.3Å; E17-L21 PolarHBondContact O-N 3.41Å; E17-I51 HydrophobicContact CB-CD1 4.2Å; E17-I51 HydrophobicContact CB-CG1 4.28Å; E17-I51 HydrophobicContact CG-CB 4.13Å; E17-I51 HydrophobicContact CG-CD1 4.06Å; E17-I51 HydrophobicContact CG-CG1 3.92Å; E17-I51 HydrophobicContact CG-CG2 4.2Å
18	K	96.4	Very high	95.3	Very high	148 Å²	148	59.3 Å²	59.3	64%	0.643	32%	0.32	S	S	*	.	H	α-helix	trans	-58.4	-42.9	176.1	-75.7	174.6	-175.8	179.2	0	112.5	E14 T15 A22	E14-K18 WeakPolarHBondContact O-CB 3.37Å; E14-K18 VanDerWaalsContact O-CG 3.28Å; E14-K18 WeakPolarHBondContact O-CG 3.44Å; E14-K18 PolarHBondContact O-N 2.91Å; T15-K18 PolarHBondContact O-N 3.47Å; K18-A22 WeakPolarHBondContact O-CB 3.23Å; K18-A22 PolarHBondContact O-N 3.07Å
19	L	96	Very high	95.5	Very high	60 Å²	60	59 Å²	59	31%	0.314	32%	0.318	S	S	.	.	H	α-helix	trans	-63.2	-43.1	178.7	-72.7	169	0	0	0	111.7	I11 T15 G16 E17 L30 V102	I11-L19 HydrophobicContact CD1-CD1 4.09Å; T15-L19 HydrophobicContact CG2-CD1 4.44Å; T15-L19 WeakPolarHBondContact O-CG 3.44Å; T15-L19 PolarHBondContact O-N 3.22Å; T15-L19 VanDerWaalsContact O-N 3.11Å; G16-L19 PolarHBondContact O-N 3.09Å; E17-L19 VanDerWaalsContact C-N 3.33Å; E17-L19 PolarHBondContact O-N 3.02Å; L19-L30 HydrophobicContact CB-CD2 3.89Å; L19-L30 HydrophobicContact CD1-CD2 4.13Å; L19-V102 HydrophobicContact CB-CG1 4.34Å
20	L	96.4	Very high	95.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.9	-50.1	177.3	-71	176.1	0	0	0	111.4	G16 E17 A22 T23 L30 C44 L46 I51 V102	G16-L20 WeakPolarHBondContact O-CG 3.4Å; G16-L20 PolarHBondContact O-N 3.08Å; G16-L20 VanDerWaalsContact O-N 3.08Å; E17-L20 PolarHBondContact O-N 3.06Å; L20-A22 VanDerWaalsContact C-N 3.26Å; L20-A22 PolarHBondContact O-N 2.74Å; L20-T23 WeakPolarHBondContact O-CB 3.3Å; L20-T23 PolarHBondContact O-N 2.63Å; L20-T23 PolarHBondContact O-OG1 3.2Å; L20-L30 HydrophobicContact CD1-CD2 4.48Å; L20-L30 HydrophobicContact CD1-CG 4.34Å; L20-L30 HydrophobicContact CD2-CD2 4.09Å; L20-L30 HydrophobicContact CD2-CG 4.11Å; L20-L30 HydrophobicContact CG-CD2 3.86Å; L20-L30 HydrophobicContact CG-CG 4.12Å; L20-C44 HydrophobicContact CD1-CB 3.61Å; L20-L46 HydrophobicContact CB-CB 4.29Å; L20-L46 WeakPolarHBondContact O-CD2 3.27Å; L20-I51 HydrophobicContact CD1-CG1 4.19Å; L20-I51 HydrophobicContact CD1-CG2 3.81Å; L20-V102 HydrophobicContact CD2-CG2 3.92Å
21	L	95.8	Very high	95.9	Very high	91 Å²	91	49.9 Å²	49.9	48%	0.476	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-35.2	179	-71.2	169.4	0	0	0	112.3	E17 T23 G24 L46 I51	E17-L21 WeakPolarHBondContact O-CB 3.49Å; E17-L21 VanDerWaalsContact O-CG 3.27Å; E17-L21 WeakPolarHBondContact O-CG 3.3Å; E17-L21 PolarHBondContact O-N 3.41Å; L21-T23 PolarHBondContact O-N 3.22Å; L21-G24 PolarHBondContact O-N 3.23Å; L21-L46 HydrophobicContact CD2-CD1 4.03Å; L21-I51 HydrophobicContact CD1-CD1 4.19Å; L21-I51 HydrophobicContact CD2-CD1 4.07Å; L21-I51 HydrophobicContact CG-CD1 4.01Å
22	A	95.1	Very high	95.9	Very high	89 Å²	89	48.9 Å²	48.9	74%	0.736	27%	0.271	S	S	*	.	H	α-helix	trans	-63.4	-24.3	175.6	0	0	0	0	0	113.3	K18 L20	K18-A22 WeakPolarHBondContact O-CB 3.23Å; K18-A22 PolarHBondContact O-N 3.07Å; L20-A22 VanDerWaalsContact C-N 3.26Å; L20-A22 PolarHBondContact O-N 2.74Å
23	T	94.4	Very high	95.9	Very high	51 Å²	51	48.6 Å²	48.6	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-74.3	-36.1	172	70.6	0	0	0	0	112.1	L20 L21 L25 S28 V102	L20-T23 WeakPolarHBondContact O-CB 3.3Å; L20-T23 PolarHBondContact O-N 2.63Å; L20-T23 PolarHBondContact O-OG1 3.2Å; L21-T23 PolarHBondContact O-N 3.22Å; T23-L25 PolarHBondContact O-N 3.49Å; T23-L25 PolarHBondContact OG1-N 3.3Å; T23-S28 WeakPolarHBondContact CB-OG 3.05Å; T23-S28 VanDerWaalsContact OG1-CB 3.27Å; T23-S28 WeakPolarHBondContact OG1-CB 3.43Å; T23-S28 PolarHBondContact OG1-OG 3.24Å; T23-V102 HydrophobicContact CG2-CG2 3.68Å
24	G	93.8	Very high	95.9	Very high	59 Å²	59	43.4 Å²	43.4	61%	0.608	25%	0.25	S	C	*	.			trans	63.6	14.7	-175.4	0	0	0	0	0	114.9	L21	L21-G24 PolarHBondContact O-N 3.23Å
25	L	96.5	Very high	95.7	Very high	82 Å²	82	44.9 Å²	44.9	43%	0.429	26%	0.257	S	S	.	.			trans	-109.6	125.4	-176.7	-61	175	0	0	0	111.3	T23 G27 S28 L46 Y100	T23-L25 PolarHBondContact O-N 3.49Å; T23-L25 PolarHBondContact OG1-N 3.3Å; L25-G27 PolarHBondContact O-N 3.05Å; L25-S28 WeakPolarHBondContact O-CB 3.17Å; L25-S28 PolarHBondContact O-N 3.32Å; L25-S28 VanDerWaalsContact O-N 3.08Å; L25-S28 PolarHBondContact O-OG 3.06Å; L25-S28 VanDerWaalsContact O-OG 3.06Å; L25-L46 WeakPolarHBondContact O-CD2 3.47Å; L25-Y100 HydrophobicContact CB-CD2 3.67Å; L25-Y100 HydrophobicContact CB-CE2 3.95Å; L25-Y100 HydrophobicContact CB-CG 4.32Å; L25-Y100 HydrophobicContact CD1-CD1 4.23Å; L25-Y100 HydrophobicContact CD1-CD2 4.15Å; L25-Y100 HydrophobicContact CD1-CE1 4.48Å; L25-Y100 HydrophobicContact CD1-CE2 4.4Å; L25-Y100 HydrophobicContact CD1-CG 4.05Å
26	D	96.9	Very high	95.5	Very high	58 Å²	58	46.8 Å²	46.8	31%	0.31	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	132.8	172.9	-75.7	-20.5	0	0	0	110.6	Y47 H48 I96 Y100	D26-Y47 HydrophobicContact CB-CD2 4.19Å; D26-Y47 VanDerWaalsContact OD1-CA 3.3Å; D26-Y47 WeakPolarHBondContact OD1-CA 3.44Å; D26-H48 PolarHBondContact OD1-N 2.91Å; D26-H48 IonicContact OD2-CD2 3.52Å; D26-H48 IonicContact OD2-NE2 4Å; D26-I96 HydrophobicContact CB-CD1 3.97Å; D26-Y100 WeakPolarHBondContact O-CD2 3.29Å; D26-Y100 VanDerWaalsContact O-CE2 3.23Å; D26-Y100 WeakPolarHBondContact O-CE2 3.28Å
27	G	96.2	Very high	95.3	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	3.3	-171.4	0	0	0	0	0	114	L25 L46 Q99 Y100	L25-G27 PolarHBondContact O-N 3.05Å; G27-L46 PolarHBondContact N-O 3.31Å; G27-Q99 PolarHBondContact O-N 2.95Å; G27-Y100 PolarHBondContact O-N 2.96Å; G27-Y100 VanDerWaalsContact O-N 3.09Å
28	S	97.6	Very high	95.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	136.9	164	-76.6	0	0	0	0	111.1	T23 L25 V45 L46 Y100	T23-S28 WeakPolarHBondContact CB-OG 3.05Å; T23-S28 VanDerWaalsContact OG1-CB 3.27Å; T23-S28 WeakPolarHBondContact OG1-CB 3.43Å; T23-S28 PolarHBondContact OG1-OG 3.24Å; L25-S28 WeakPolarHBondContact O-CB 3.17Å; L25-S28 PolarHBondContact O-N 3.32Å; L25-S28 VanDerWaalsContact O-N 3.08Å; L25-S28 PolarHBondContact O-OG 3.06Å; L25-S28 VanDerWaalsContact O-OG 3.06Å; S28-V45 CarbonylContact O-C 3.58Å; S28-V45 WeakPolarHBondContact O-CA 3.43Å; S28-L46 PolarHBondContact O-N 3.01Å; S28-Y100 VanDerWaalsContact CA-O 3.28Å; S28-Y100 WeakPolarHBondContact CA-O 3.46Å
29	Y	97.8	Very high	94.9	Very high	7 Å²	7	48.5 Å²	48.5	3%	0.027	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	152.1	-176.3	71.5	-79.9	0	0	0	114.1	V6 L43 C44 I84 Q88 L98 Y100 P101 V102	V6-Y29 HydrophobicContact CB-CE2 4.3Å; V6-Y29 HydrophobicContact CG1-CD2 4.4Å; V6-Y29 HydrophobicContact CG1-CE2 3.86Å; V6-Y29 HydrophobicContact CG2-CD2 4.35Å; V6-Y29 HydrophobicContact CG2-CE2 3.92Å; Y29-L43 HydrophobicContact CD2-CD1 4.09Å; Y29-C44 WeakPolarHBondContact CA-O 3.47Å; Y29-C44 WeakPolarHBondContact CB-O 3.35Å; Y29-I84 HydrophobicContact CE2-CG2 3.71Å; Y29-Q88 PolarHBondContact OH-NE2 2.9Å; Y29-L98 HydrophobicContact CD1-CB 3.7Å; Y29-L98 HydrophobicContact CD1-CD2 4.23Å; Y29-L98 HydrophobicContact CD1-CG 4.41Å; Y29-L98 HydrophobicContact CD2-CB 4.42Å; Y29-L98 HydrophobicContact CD2-CD1 4Å; Y29-L98 HydrophobicContact CD2-CD2 4.29Å; Y29-L98 HydrophobicContact CD2-CG 4.47Å; Y29-L98 HydrophobicContact CE1-CB 3.68Å; Y29-L98 HydrophobicContact CE2-CB 4.41Å; Y29-L98 HydrophobicContact CE2-CD1 4.07Å; Y29-L98 HydrophobicContact CG-CB 4.08Å; Y29-L98 HydrophobicContact CG-CD1 4.33Å; Y29-L98 HydrophobicContact CG-CD2 3.86Å; Y29-L98 HydrophobicContact CG-CG 4.3Å; Y29-Y100 WeakPolarHBondContact CD1-O 3.42Å; Y29-Y100 PolarHBondContact N-O 3.43Å; Y29-P101 HydrophobicContact CE1-CB 3.97Å; Y29-V102 WeakPolarHBondContact O-CB 3.3Å; Y29-V102 PolarHBondContact O-N 2.82Å
30	L	96.8	Very high	94.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	163.2	171.9	62.7	81.6	0	0	0	111.5	I11 L19 L20 R32 C44 V102	I11-L30 HydrophobicContact CD1-CD1 4.25Å; L19-L30 HydrophobicContact CB-CD2 3.89Å; L19-L30 HydrophobicContact CD1-CD2 4.13Å; L20-L30 HydrophobicContact CD1-CD2 4.48Å; L20-L30 HydrophobicContact CD1-CG 4.34Å; L20-L30 HydrophobicContact CD2-CD2 4.09Å; L20-L30 HydrophobicContact CD2-CG 4.11Å; L20-L30 HydrophobicContact CG-CD2 3.86Å; L20-L30 HydrophobicContact CG-CG 4.12Å; L30-R32 HydrophobicContact CD1-CB 4.36Å; L30-R32 HydrophobicContact CD1-CG 4.43Å; L30-C44 HydrophobicContact CD1-CB 4.05Å; L30-C44 HydrophobicContact CG-CB 4.35Å; L30-C44 PolarHBondContact N-O 2.86Å; L30-C44 PolarHBondContact O-N 3.01Å; L30-V102 HydrophobicContact CB-CB 4.28Å; L30-V102 HydrophobicContact CD2-CG1 4.49Å
31	L	96.1	Very high	94.7	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.3	175.1	-171	78.9	0	0	0	110.1	V6 Y7 H8 C42 L43 I80	V6-L31 HydrophobicContact CG2-CB 4.37Å; V6-L31 PolarHBondContact O-N 2.92Å; Y7-L31 CarbonylContact C-O 3.54Å; Y7-L31 WeakPolarHBondContact CA-O 3.4Å; Y7-L31 HydrophobicContact CD2-CB 4.48Å; Y7-L31 HydrophobicContact CD2-CD2 3.92Å; Y7-L31 HydrophobicContact CD2-CG 4.22Å; H8-L31 PolarHBondContact N-O 2.83Å; L31-C42 WeakPolarHBondContact CA-O 3.36Å; L31-L43 HydrophobicContact CD1-CB 4.06Å; L31-L43 HydrophobicContact CD1-CD1 4.5Å; L31-I80 HydrophobicContact CD1-CD1 4.46Å; L31-I80 HydrophobicContact CD2-CD1 3.22Å; L31-I80 HydrophobicContact CD2-CG1 4.39Å; L31-I80 HydrophobicContact CG-CD1 4.46Å
32	R	95.4	Very high	94.7	Very high	10 Å²	10	44.1 Å²	44.1	4%	0.038	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	167.5	176.7	66.1	179.8	-175.6	99	-4.6	111.6	G9 I11 L30 E35 Y41 C42	G9-R32 WeakPolarHBondContact O-CA 3.28Å; I11-R32 HydrophobicContact CD1-CB 4.16Å; I11-R32 HydrophobicContact CG1-CB 3.59Å; I11-R32 HydrophobicContact CG1-CG 4.44Å; L30-R32 HydrophobicContact CD1-CB 4.36Å; L30-R32 HydrophobicContact CD1-CG 4.43Å; R32-E35 IonicContact CZ-OE2 3.78Å; R32-E35 IonicContact NH1-OE2 2.9Å; R32-E35 PolarHBondContact NH1-OE2 2.86Å; R32-E35 IonicContact NH2-OE2 3.89Å; R32-Y41 CarbonylContact O-C 3.54Å; R32-Y41 WeakPolarHBondContact O-CA 3.48Å; R32-C42 HydrophobicContact CG-CB 3.81Å; R32-C42 PolarHBondContact N-O 3.26Å; R32-C42 PolarHBondContact O-N 3.02Å
33	D	95.2	Very high	94.7	Very high	26 Å²	26	40 Å²	40	14%	0.139	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	147.6	169	-75.2	5.8	0	0	0	110.4	Y7 G9 K10 Y41	Y7-D33 WeakPolarHBondContact CE2-OD1 3.48Å; Y7-D33 PolarHBondContact OH-OD1 3Å; G9-D33 PolarHBondContact O-N 2.84Å; K10-D33 HydrophobicContact CG-CB 4.09Å; K10-D33 WeakPolarHBondContact CG-OD2 3.41Å; D33-Y41 WeakPolarHBondContact OD1-CD1 3.43Å; D33-Y41 VanDerWaalsContact OD1-CE1 3.24Å; D33-Y41 WeakPolarHBondContact OD1-CE1 3.39Å
34	S	94	Very high	94.9	Very high	18 Å²	18	37.7 Å²	37.7	13%	0.126	24%	0.241	C	C	.	.			trans	-69.7	133.5	165.9	-179.2	0	0	0	0	109.9	S36 V37 V40	S34-S36 VanDerWaalsContact C-N 3.34Å; S34-V37 WeakPolarHBondContact CB-O 3.48Å; S34-V37 PolarHBondContact OG-N 3.27Å; S34-V40 WeakPolarHBondContact CB-O 3.33Å; S34-V40 PolarHBondContact N-O 3.27Å
35	E	92.5	Very high	95	Very high	116 Å²	116	34.9 Å²	34.9	54%	0.542	21%	0.212	S	C	.	.	S	Bend	trans	-75.3	-26.1	178.7	-72.1	165.4	105	0	0	112.5	S12 R13 R32	S12-E35 VanDerWaalsContact CA-OE1 3.29Å; S12-E35 WeakPolarHBondContact CA-OE1 3.2Å; S12-E35 WeakPolarHBondContact CB-OE1 3.27Å; R13-E35 WeakPolarHBondContact CB-OE2 3.45Å; R13-E35 PolarHBondContact N-OE1 2.99Å; R13-E35 PolarHBondContact N-OE2 2.9Å; R32-E35 IonicContact CZ-OE2 3.78Å; R32-E35 IonicContact NH1-OE2 2.9Å; R32-E35 PolarHBondContact NH1-OE2 2.86Å; R32-E35 IonicContact NH2-OE2 3.89Å
36	S	91.4	Very high	95.1	Very high	102 Å²	102	31.1 Å²	31.1	71%	0.713	19%	0.192	S	C	*	.	S	Bend	trans	-103.8	-23.5	-173.8	54.6	0	0	0	0	114.1	S34	S34-S36 VanDerWaalsContact C-N 3.34Å
37	V	92.2	Very high	95.1	Very high	67 Å²	67	31.7 Å²	31.7	41%	0.406	19%	0.19	S	C	.	.	S	Bend	trans	-129.7	108.3	-171.7	-170.1	0	0	0	0	110.9	S34 V40	S34-V37 WeakPolarHBondContact CB-O 3.48Å; S34-V37 PolarHBondContact OG-N 3.27Å; V37-V40 HydrophobicContact CB-CB 4.06Å; V37-V40 HydrophobicContact CB-CG2 3.93Å; V37-V40 HydrophobicContact CG1-CB 4.14Å; V37-V40 HydrophobicContact CG1-CG2 3.47Å; V37-V40 VanDerWaalsContact CG1-CG2 3.47Å; V37-V40 PolarHBondContact O-N 3.09Å
38	P	91.3	Very high	95	Very high	126 Å²	126	37.6 Å²	37.6	82%	0.818	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	139	174.3	-25.1	34.8	0	0	0	112.4	V40	P38-V40 PolarHBondContact O-N 3.4Å
39	G	90.9	Very high	94.9	Very high	52 Å²	52	40 Å²	40	54%	0.536	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-2	179.7	0	0	0	0	0	115	Y41	G39-Y41 WeakPolarHBondContact O-CE2 3.35Å
40	V	94	Very high	94.8	Very high	26 Å²	26	47.4 Å²	47.4	16%	0.158	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141	171.1	-180	0	0	0	0	109.5	S34 V37 P38 R55	S34-V40 WeakPolarHBondContact CB-O 3.33Å; S34-V40 PolarHBondContact N-O 3.27Å; V37-V40 HydrophobicContact CB-CB 4.06Å; V37-V40 HydrophobicContact CB-CG2 3.93Å; V37-V40 HydrophobicContact CG1-CB 4.14Å; V37-V40 HydrophobicContact CG1-CG2 3.47Å; V37-V40 VanDerWaalsContact CG1-CG2 3.47Å; V37-V40 PolarHBondContact O-N 3.09Å; P38-V40 PolarHBondContact O-N 3.4Å; V40-R55 HydrophobicContact CG1-CB 4.06Å; V40-R55 HydrophobicContact CG1-CG 4.16Å
41	Y	95	Very high	94.7	Very high	25 Å²	25	49.2 Å²	49.2	10%	0.098	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	153.4	177.6	-55	-88.8	0	0	0	109.3	M1 Y7 R32 D33 G39 R55 V56 W64	M1-Y41 HydrophobicContact CE-CE1 3.37Å; M1-Y41 HydrophobicContact CE-CE2 4.43Å; M1-Y41 WeakPolarHBondContact CE-OH 3.36Å; Y7-Y41 HydrophobicContact CE2-CD1 4.14Å; Y7-Y41 HydrophobicContact CE2-CE1 4.22Å; R32-Y41 CarbonylContact O-C 3.54Å; R32-Y41 WeakPolarHBondContact O-CA 3.48Å; D33-Y41 WeakPolarHBondContact OD1-CD1 3.43Å; D33-Y41 VanDerWaalsContact OD1-CE1 3.24Å; D33-Y41 WeakPolarHBondContact OD1-CE1 3.39Å; G39-Y41 WeakPolarHBondContact O-CE2 3.35Å; Y41-R55 CarbonylContact O-C 3.6Å; Y41-R55 WeakPolarHBondContact O-CA 3.42Å; Y41-V56 PolarHBondContact N-O 2.65Å; Y41-V56 PolarHBondContact O-N 3.21Å; Y41-W64 AromaticContact CD2-CH2 3.88Å; Y41-W64 HydrophobicContact CD2-CH2 3.88Å; Y41-W64 AromaticContact CD2-CZ3 3.41Å; Y41-W64 HydrophobicContact CD2-CZ3 3.41Å; Y41-W64 VanDerWaalsContact CD2-CZ3 3.41Å; Y41-W64 AromaticContact CE2-CH2 3.55Å; Y41-W64 HydrophobicContact CE2-CH2 3.55Å; Y41-W64 AromaticContact CE2-CZ3 3.54Å; Y41-W64 HydrophobicContact CE2-CZ3 3.54Å; Y41-W64 HydrophobicContact CG-CZ3 4.17Å
42	C	95.7	Very high	94.7	Very high	7 Å²	7	53.2 Å²	53.2	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.8	178.3	-68.2	0	0	0	0	108.4	L31 R32 T53	L31-C42 WeakPolarHBondContact CA-O 3.36Å; R32-C42 HydrophobicContact CG-CB 3.81Å; R32-C42 PolarHBondContact N-O 3.26Å; R32-C42 PolarHBondContact O-N 3.02Å; C42-T53 HydrophobicContact CB-CG2 3.73Å
43	L	96	Very high	94.7	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	108.9	167.9	174.9	65.5	0	0	0	107.7	Y29 L31 V45 T53 Y54 V56 F87 L98	Y29-L43 HydrophobicContact CD2-CD1 4.09Å; L31-L43 HydrophobicContact CD1-CB 4.06Å; L31-L43 HydrophobicContact CD1-CD1 4.5Å; L43-V45 HydrophobicContact CG-CG2 4.27Å; L43-T53 WeakPolarHBondContact O-CA 3.43Å; L43-Y54 PolarHBondContact N-O 2.82Å; L43-Y54 PolarHBondContact O-N 3.19Å; L43-V56 HydrophobicContact CB-CG2 4.09Å; L43-F87 HydrophobicContact CD2-CD2 4.4Å; L43-L98 HydrophobicContact CD1-CD1 4.42Å; L43-L98 HydrophobicContact CD2-CD1 4.23Å
44	C	96.9	Very high	94.7	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.7	-179	-61.3	0	0	0	0	109.4	L20 Y29 L30 I51 Y52	L20-C44 HydrophobicContact CD1-CB 3.61Å; Y29-C44 WeakPolarHBondContact CA-O 3.47Å; Y29-C44 WeakPolarHBondContact CB-O 3.35Å; L30-C44 HydrophobicContact CD1-CB 4.05Å; L30-C44 HydrophobicContact CG-CB 4.35Å; L30-C44 PolarHBondContact N-O 2.86Å; L30-C44 PolarHBondContact O-N 3.01Å; C44-I51 HydrophobicContact CB-CG2 3.97Å; C44-Y52 CarbonylContact C-O 3.56Å; C44-Y52 WeakPolarHBondContact CA-O 3.36Å
45	V	97.2	Very high	94.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.5	-177.1	-169.9	0	0	0	0	109.5	S28 L43 I51 Y52 Y54 I96 L98	S28-V45 CarbonylContact O-C 3.58Å; S28-V45 WeakPolarHBondContact O-CA 3.43Å; L43-V45 HydrophobicContact CG-CG2 4.27Å; V45-I51 WeakPolarHBondContact O-CA 3.19Å; V45-Y52 PolarHBondContact N-O 2.81Å; V45-Y52 PolarHBondContact O-N 3.31Å; V45-Y54 HydrophobicContact CB-CE2 4.49Å; V45-Y54 HydrophobicContact CG2-CD2 4.18Å; V45-Y54 HydrophobicContact CG2-CE2 4.03Å; V45-I96 HydrophobicContact CG1-CG2 3.78Å; V45-L98 HydrophobicContact CB-CD2 4.49Å; V45-L98 HydrophobicContact CG1-CD2 4.12Å; V45-L98 HydrophobicContact CG2-CD2 3.5Å
46	L	97.7	Very high	94.8	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.8	174.2	-179.3	60.4	0	0	0	110.5	L20 L21 L25 G27 S28 I51	L20-L46 HydrophobicContact CB-CB 4.29Å; L20-L46 WeakPolarHBondContact O-CD2 3.27Å; L21-L46 HydrophobicContact CD2-CD1 4.03Å; L25-L46 WeakPolarHBondContact O-CD2 3.47Å; G27-L46 PolarHBondContact N-O 3.31Å; S28-L46 PolarHBondContact O-N 3.01Å; L46-I51 HydrophobicContact CD1-CD1 4.47Å
47	Y	97	Very high	94.9	Very high	69 Å²	69	53.5 Å²	53.5	27%	0.271	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	124.7	170.9	-176	-108.9	0	0	0	111.2	D26 G49 Y50 Y52 V95 I96	D26-Y47 HydrophobicContact CB-CD2 4.19Å; D26-Y47 VanDerWaalsContact OD1-CA 3.3Å; D26-Y47 WeakPolarHBondContact OD1-CA 3.44Å; Y47-G49 PolarHBondContact O-N 3.08Å; Y47-Y50 PolarHBondContact N-O 2.85Å; Y47-Y50 PolarHBondContact O-N 3.26Å; Y47-Y52 HydrophobicContact CD1-CE2 4.15Å; Y47-V95 HydrophobicContact CD1-CB 4.46Å; Y47-V95 HydrophobicContact CD1-CG2 3.19Å; Y47-V95 HydrophobicContact CE1-CG2 3.63Å; Y47-V95 HydrophobicContact CG-CG1 4.32Å; Y47-V95 HydrophobicContact CG-CG2 3.76Å; Y47-I96 HydrophobicContact CD2-CB 3.64Å; Y47-I96 HydrophobicContact CD2-CD1 3.67Å; Y47-I96 HydrophobicContact CD2-CG1 4.15Å; Y47-I96 HydrophobicContact CD2-CG2 3.84Å; Y47-I96 HydrophobicContact CE2-CB 4.01Å; Y47-I96 HydrophobicContact CE2-CD1 3.8Å; Y47-I96 HydrophobicContact CE2-CG1 4.25Å; Y47-I96 HydrophobicContact CG-CB 4.31Å; Y47-I96 HydrophobicContact CG-CG2 4.25Å
48	H	95.4	Very high	95	Very high	124 Å²	124	54.5 Å²	54.5	57%	0.574	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	40.1	179.4	-76.1	-115.1	0	0	0	113.2	D26 Y50	D26-H48 PolarHBondContact OD1-N 2.91Å; D26-H48 IonicContact OD2-CD2 3.52Å; D26-H48 IonicContact OD2-NE2 4Å; H48-Y50 VanDerWaalsContact O-CD2 3.3Å; H48-Y50 WeakPolarHBondContact O-CD2 3.44Å; H48-Y50 PolarHBondContact O-N 3.27Å
49	G	93.5	Very high	94.9	Very high	50 Å²	50	50.4 Å²	50.4	52%	0.515	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-2.7	-179.7	0	0	0	0	0	115.4	Y47	Y47-G49 PolarHBondContact O-N 3.08Å
50	Y	96	Very high	94.9	Very high	163 Å²	163	57.7 Å²	57.7	64%	0.639	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.4	175.1	-66.4	-85.6	0	0	0	111.5	Y47 H48	Y47-Y50 PolarHBondContact N-O 2.85Å; Y47-Y50 PolarHBondContact O-N 3.26Å; H48-Y50 VanDerWaalsContact O-CD2 3.3Å; H48-Y50 WeakPolarHBondContact O-CD2 3.44Å; H48-Y50 PolarHBondContact O-N 3.27Å
51	I	96.3	Very high	94.7	Very high	38 Å²	38	62 Å²	62	20%	0.195	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	109	175.6	-63.5	82.6	0	0	0	108.8	E17 L20 L21 C44 V45 L46	E17-I51 HydrophobicContact CB-CD1 4.2Å; E17-I51 HydrophobicContact CB-CG1 4.28Å; E17-I51 HydrophobicContact CG-CB 4.13Å; E17-I51 HydrophobicContact CG-CD1 4.06Å; E17-I51 HydrophobicContact CG-CG1 3.92Å; E17-I51 HydrophobicContact CG-CG2 4.2Å; L20-I51 HydrophobicContact CD1-CG1 4.19Å; L20-I51 HydrophobicContact CD1-CG2 3.81Å; L21-I51 HydrophobicContact CD1-CD1 4.19Å; L21-I51 HydrophobicContact CD2-CD1 4.07Å; L21-I51 HydrophobicContact CG-CD1 4.01Å; C44-I51 HydrophobicContact CB-CG2 3.97Å; V45-I51 WeakPolarHBondContact O-CA 3.19Å; L46-I51 HydrophobicContact CD1-CD1 4.47Å
52	Y	95.9	Very high	94.5	Very high	89 Å²	89	62.4 Å²	62.4	35%	0.349	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.9	175.2	-68.7	-99.2	0	0	0	109.2	C44 V45 Y47 V95	C44-Y52 CarbonylContact C-O 3.56Å; C44-Y52 WeakPolarHBondContact CA-O 3.36Å; V45-Y52 PolarHBondContact N-O 2.81Å; V45-Y52 PolarHBondContact O-N 3.31Å; Y47-Y52 HydrophobicContact CD1-CE2 4.15Å; Y52-V95 HydrophobicContact CD1-CB 4.16Å; Y52-V95 HydrophobicContact CD1-CG1 4.18Å; Y52-V95 HydrophobicContact CD1-CG2 4.37Å; Y52-V95 HydrophobicContact CD2-CB 4.35Å; Y52-V95 HydrophobicContact CD2-CG1 3.73Å; Y52-V95 HydrophobicContact CD2-CG2 4.26Å; Y52-V95 HydrophobicContact CE1-CB 4.29Å; Y52-V95 HydrophobicContact CE1-CG2 4.03Å; Y52-V95 HydrophobicContact CE2-CB 4.47Å; Y52-V95 HydrophobicContact CE2-CG1 4.23Å; Y52-V95 HydrophobicContact CE2-CG2 3.91Å; Y52-V95 HydrophobicContact CG-CB 4.19Å; Y52-V95 HydrophobicContact CG-CG1 3.7Å; Y52-V95 HydrophobicContact CG-CG2 4.48Å
53	T	95.3	Very high	94.4	Very high	64 Å²	64	63.3 Å²	63.3	39%	0.393	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.1	-178.9	-59.8	0	0	0	0	110.5	C42 L43	C42-T53 HydrophobicContact CB-CG2 3.73Å; L43-T53 WeakPolarHBondContact O-CA 3.43Å
54	Y	94.3	Very high	94.3	Very high	45 Å²	45	64 Å²	64	18%	0.176	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127	175.7	-56.4	-89.5	0	0	0	109.3	L43 V45 I94 V95	L43-Y54 PolarHBondContact N-O 2.82Å; L43-Y54 PolarHBondContact O-N 3.19Å; V45-Y54 HydrophobicContact CB-CE2 4.49Å; V45-Y54 HydrophobicContact CG2-CD2 4.18Å; V45-Y54 HydrophobicContact CG2-CE2 4.03Å; Y54-I94 HydrophobicContact CD1-CG2 4.21Å; Y54-I94 HydrophobicContact CE1-CB 4.23Å; Y54-I94 HydrophobicContact CE1-CG2 3.82Å; Y54-I94 HydrophobicContact CE2-CB 4.34Å; Y54-I94 HydrophobicContact CE2-CG2 4.31Å; Y54-V95 WeakPolarHBondContact OH-CG1 3.39Å; Y54-V95 PolarHBondContact OH-N 2.93Å
55	R	94.2	Very high	94.1	Very high	126 Å²	126	64.2 Å²	64.2	48%	0.475	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.3	175	-71.9	-172.7	-67	-94.4	-1.2	109.7	V40 Y41 A66 E67	V40-R55 HydrophobicContact CG1-CB 4.06Å; V40-R55 HydrophobicContact CG1-CG 4.16Å; Y41-R55 CarbonylContact O-C 3.6Å; Y41-R55 WeakPolarHBondContact O-CA 3.42Å; R55-A66 CarbonylContact O-C 3.57Å; R55-A66 WeakPolarHBondContact O-CA 3.43Å; R55-E67 HydrophobicContact CB-CB 4.16Å; R55-E67 IonicContact CZ-OE1 3.7Å; R55-E67 IonicContact CZ-OE2 3.23Å; R55-E67 VanDerWaalsContact CZ-OE2 3.23Å; R55-E67 IonicContact NE-OE1 3.88Å; R55-E67 IonicContact NE-OE2 2.65Å; R55-E67 PolarHBondContact NE-OE2 2.79Å; R55-E67 IonicContact NH2-OE1 2.72Å; R55-E67 PolarHBondContact NH2-OE1 2.76Å; R55-E67 IonicContact NH2-OE2 3.04Å; R55-E67 PolarHBondContact NH2-OE2 2.84Å; R55-E67 PolarHBondContact O-N 2.93Å
56	V	94.4	Very high	93.9	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.7	179.3	179.6	0	0	0	0	107.7	Y41 L43 W64 S65 A66 L83	Y41-V56 PolarHBondContact N-O 2.65Å; Y41-V56 PolarHBondContact O-N 3.21Å; L43-V56 HydrophobicContact CB-CG2 4.09Å; V56-W64 HydrophobicContact CG1-CE3 3.82Å; V56-W64 HydrophobicContact CG1-CZ3 4.29Å; V56-S65 WeakPolarHBondContact CA-O 3.45Å; V56-A66 HydrophobicContact CG2-CB 4.21Å; V56-L83 HydrophobicContact CG1-CD1 3.85Å; V56-L83 HydrophobicContact CG1-CD2 4.47Å; V56-L83 HydrophobicContact CG2-CD2 4.42Å
57	S	94.1	Very high	93.6	Very high	43 Å²	43	69.2 Å²	69.2	30%	0.301	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.5	178.7	60	0	0	0	0	111.2	S65	S57-S65 PolarHBondContact N-O 3.2Å; S57-S65 PolarHBondContact O-N 2.79Å
58	Q	93.1	Very high	93	Very high	88 Å²	88	68 Å²	68	41%	0.411	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	138.2	166.5	-70.5	176.3	53.3	0	0	109.1	S63 W64	Q58-S63 CarbonylContact C-O 3.56Å; Q58-S63 WeakPolarHBondContact CA-O 3.4Å; Q58-W64 HydrophobicContact CG-CD2 3.58Å; Q58-W64 VanDerWaalsContact CG-CE2 3.47Å; Q58-W64 HydrophobicContact CG-CE3 3.81Å; Q58-W64 HydrophobicContact CG-CG 4.16Å; Q58-W64 HydrophobicContact CG-CH2 3.95Å; Q58-W64 HydrophobicContact CG-CZ2 3.71Å; Q58-W64 HydrophobicContact CG-CZ3 3.98Å; Q58-W64 VanDerWaalsContact NE2-CH2 3.28Å
59	T	91	Very high	92.5	Very high	39 Å²	39	65 Å²	65	24%	0.239	35%	0.349	C	S	.	.			trans	-74.8	167.6	166.2	59.1	0	0	0	0	110.4	T61 G62 S63 Y76	T59-T61 PolarHBondContact O-N 2.72Å; T59-T61 VanDerWaalsContact O-N 3.15Å; T59-T61 PolarHBondContact OG1-OG1 2.79Å; T59-G62 PolarHBondContact O-N 3.3Å; T59-S63 PolarHBondContact N-O 3.46Å; T59-S63 WeakPolarHBondContact OG1-CB 3.35Å; T59-S63 PolarHBondContact OG1-N 2.97Å; T59-S63 PolarHBondContact OG1-O 2.76Å; T59-Y76 HydrophobicContact CG2-CD1 3.77Å; T59-Y76 HydrophobicContact CG2-CE1 3.5Å
60	E	89.4	Confident	92	Very high	206 Å²	206	69.1 Å²	69.1	96%	0.963	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.6	174.5	-171.7	175.4	-175.2	0	0	113	G62	E60-G62 PolarHBondContact O-N 3.04Å
61	T	90.5	Very high	91.5	Very high	117 Å²	117	65.7 Å²	65.7	72%	0.718	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-0.7	176.2	67.8	0	0	0	0	114.4	T59 S63	T59-T61 PolarHBondContact O-N 2.72Å; T59-T61 VanDerWaalsContact O-N 3.15Å; T59-T61 PolarHBondContact OG1-OG1 2.79Å; T61-S63 VanDerWaalsContact C-N 3.28Å; T61-S63 PolarHBondContact O-N 2.98Å; T61-S63 PolarHBondContact OG1-OG 2.83Å
62	G	90.3	Very high	91	Very high	32 Å²	32	67.9 Å²	67.9	33%	0.33	40%	0.396	S	S	.	.	S	Bend	trans	79.7	3.3	-174.6	0	0	0	0	0	114.7	T59 E60	T59-G62 PolarHBondContact O-N 3.3Å; E60-G62 PolarHBondContact O-N 3.04Å
63	S	93.3	Very high	90.5	Very high	27 Å²	27	72.1 Å²	72.1	19%	0.189	42%	0.418	C	S	.	.			trans	-79.1	137.8	175.4	-58.7	0	0	0	0	111.2	Q58 T59 T61	Q58-S63 CarbonylContact C-O 3.56Å; Q58-S63 WeakPolarHBondContact CA-O 3.4Å; T59-S63 PolarHBondContact N-O 3.46Å; T59-S63 WeakPolarHBondContact OG1-CB 3.35Å; T59-S63 PolarHBondContact OG1-N 2.97Å; T59-S63 PolarHBondContact OG1-O 2.76Å; T61-S63 VanDerWaalsContact C-N 3.28Å; T61-S63 PolarHBondContact O-N 2.98Å; T61-S63 PolarHBondContact OG1-OG 2.83Å
64	W	93.7	Very high	90.1	Very high	16 Å²	16	74 Å²	74	6%	0.061	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.9	177.5	-66.8	82.6	0	0	0	111.8	Y41 V56 Q58 Y76 F77 I80 L83	Y41-W64 AromaticContact CD2-CH2 3.88Å; Y41-W64 HydrophobicContact CD2-CH2 3.88Å; Y41-W64 AromaticContact CD2-CZ3 3.41Å; Y41-W64 HydrophobicContact CD2-CZ3 3.41Å; Y41-W64 VanDerWaalsContact CD2-CZ3 3.41Å; Y41-W64 AromaticContact CE2-CH2 3.55Å; Y41-W64 HydrophobicContact CE2-CH2 3.55Å; Y41-W64 AromaticContact CE2-CZ3 3.54Å; Y41-W64 HydrophobicContact CE2-CZ3 3.54Å; Y41-W64 HydrophobicContact CG-CZ3 4.17Å; V56-W64 HydrophobicContact CG1-CE3 3.82Å; V56-W64 HydrophobicContact CG1-CZ3 4.29Å; Q58-W64 HydrophobicContact CG-CD2 3.58Å; Q58-W64 VanDerWaalsContact CG-CE2 3.47Å; Q58-W64 HydrophobicContact CG-CE3 3.81Å; Q58-W64 HydrophobicContact CG-CG 4.16Å; Q58-W64 HydrophobicContact CG-CH2 3.95Å; Q58-W64 HydrophobicContact CG-CZ2 3.71Å; Q58-W64 HydrophobicContact CG-CZ3 3.98Å; Q58-W64 VanDerWaalsContact NE2-CH2 3.28Å; W64-Y76 CarbonylContact O-C 3.57Å; W64-Y76 WeakPolarHBondContact O-CA 3.39Å; W64-F77 HydrophobicContact CB-CB 4.44Å; W64-F77 WeakPolarHBondContact CB-O 3.43Å; W64-F77 PolarHBondContact N-O 2.93Å; W64-F77 PolarHBondContact O-N 3.39Å; W64-I80 HydrophobicContact CD2-CB 3.76Å; W64-I80 HydrophobicContact CD2-CD1 4.37Å; W64-I80 HydrophobicContact CD2-CG1 4.25Å; W64-I80 HydrophobicContact CE3-CB 4.13Å; W64-I80 HydrophobicContact CE3-CD1 3.88Å; W64-I80 HydrophobicContact CE3-CG1 4.12Å; W64-I80 HydrophobicContact CG-CB 4.13Å; W64-I80 HydrophobicContact CH2-CB 4.42Å; W64-I80 HydrophobicContact CH2-CD1 3.83Å; W64-I80 HydrophobicContact CZ2-CB 4.09Å; W64-I80 HydrophobicContact CZ2-CD1 4.33Å; W64-I80 HydrophobicContact CZ2-CG2 4.42Å; W64-I80 HydrophobicContact CZ3-CB 4.45Å; W64-I80 HydrophobicContact CZ3-CD1 3.59Å; W64-I80 HydrophobicContact CZ3-CG1 4.32Å; W64-L83 HydrophobicContact CB-CD1 4.13Å
65	S	93.4	Very high	90	Very high	8 Å²	8	77.2 Å²	77.2	6%	0.056	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143	173.3	58.6	0	0	0	0	111.3	V56 S57 R75	V56-S65 WeakPolarHBondContact CA-O 3.45Å; S57-S65 PolarHBondContact N-O 3.2Å; S57-S65 PolarHBondContact O-N 2.79Å; S65-R75 WeakPolarHBondContact CA-O 3.49Å; S65-R75 WeakPolarHBondContact CB-O 3.43Å
66	A	93.2	Very high	89.9	Confident	9 Å²	9	77.7 Å²	77.7	7%	0.074	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	147	165.3	0	0	0	0	0	109.7	R55 V56 T68 F87	R55-A66 CarbonylContact O-C 3.57Å; R55-A66 WeakPolarHBondContact O-CA 3.43Å; V56-A66 HydrophobicContact CG2-CB 4.21Å; A66-T68 PolarHBondContact O-N 3Å; A66-F87 HydrophobicContact CB-CE2 3.9Å; A66-F87 HydrophobicContact CB-CZ 3.79Å
67	E	90.7	Very high	89.8	Confident	99 Å²	99	78.9 Å²	78.9	46%	0.463	44%	0.441	S	S	.	.			trans	-67.7	126.9	171.6	-169.4	172.9	155.4	0	0	109.8	R55	R55-E67 HydrophobicContact CB-CB 4.16Å; R55-E67 IonicContact CZ-OE1 3.7Å; R55-E67 IonicContact CZ-OE2 3.23Å; R55-E67 VanDerWaalsContact CZ-OE2 3.23Å; R55-E67 IonicContact NE-OE1 3.88Å; R55-E67 IonicContact NE-OE2 2.65Å; R55-E67 PolarHBondContact NE-OE2 2.79Å; R55-E67 IonicContact NH2-OE1 2.72Å; R55-E67 PolarHBondContact NH2-OE1 2.76Å; R55-E67 IonicContact NH2-OE2 3.04Å; R55-E67 PolarHBondContact NH2-OE2 2.84Å; R55-E67 PolarHBondContact O-N 2.93Å
68	T	85.7	Confident	89.7	Confident	44 Å²	44	87.5 Å²	87.5	27%	0.27	47%	0.467	S	S	.	.			trans	-110.9	156	-178.8	57	0	0	0	0	110.2	A66 V72 K74	A66-T68 PolarHBondContact O-N 3Å; T68-V72 HydrophobicContact CG2-CG1 4.15Å; T68-V72 PolarHBondContact OG1-O 3.3Å; T68-V72 VanDerWaalsContact OG1-O 3.06Å; T68-K74 HydrophobicContact CG2-CG 4.44Å; T68-K74 WeakPolarHBondContact OG1-CG 3.44Å
69	A	83.5	Confident	89.7	Confident	62 Å²	62	87.1 Å²	87.1	51%	0.512	46%	0.464	S	S	.	.			trans	-59.4	153.9	173.1	0	0	0	0	0	111.4	G71 V72	A69-G71 PolarHBondContact O-N 2.8Å; A69-V72 HydrophobicContact CB-CG2 4.15Å; A69-V72 WeakPolarHBondContact O-CB 3.45Å; A69-V72 PolarHBondContact O-N 2.85Å
70	P	84	Confident	89.7	Confident	136 Å²	136	85.7 Å²	85.7	88%	0.883	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	132.2	173.9	-25.3	34.3	0	0	0	111.5	V72	P70-V72 VanDerWaalsContact C-N 3.33Å; P70-V72 PolarHBondContact O-N 2.83Å
71	G	84.6	Confident	89.9	Confident	90 Å²	90	80.5 Å²	80.5	93%	0.928	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-12.2	-178.3	0	0	0	0	0	115.5	A69	A69-G71 PolarHBondContact O-N 2.8Å
72	V	85.9	Confident	90.1	Very high	85 Å²	85	78.5 Å²	78.5	52%	0.515	41%	0.414	S	S	.	.	S	Bend	trans	-87.6	127.3	175.8	178.8	0	0	0	0	110.4	T68 A69 P70 K74	T68-V72 HydrophobicContact CG2-CG1 4.15Å; T68-V72 PolarHBondContact OG1-O 3.3Å; T68-V72 VanDerWaalsContact OG1-O 3.06Å; A69-V72 HydrophobicContact CB-CG2 4.15Å; A69-V72 WeakPolarHBondContact O-CB 3.45Å; A69-V72 PolarHBondContact O-N 2.85Å; P70-V72 VanDerWaalsContact C-N 3.33Å; P70-V72 PolarHBondContact O-N 2.83Å; V72-K74 PolarHBondContact O-N 3.11Å
73	H	85.8	Confident	90.2	Very high	178 Å²	178	77 Å²	77	82%	0.824	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-60.5	122	179.2	-124.3	82.6	0	0	0	111.2
74	K	88	Confident	90.2	Very high	103 Å²	103	76.1 Å²	76.1	45%	0.448	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-67.1	139	175.6	-72.3	-176.5	-179.8	-177.8	0	110	T68 V72 Y76	T68-K74 HydrophobicContact CG2-CG 4.44Å; T68-K74 WeakPolarHBondContact OG1-CG 3.44Å; V72-K74 PolarHBondContact O-N 3.11Å; K74-Y76 HydrophobicContact CB-CE2 4.3Å
75	R	90.9	Very high	90.2	Very high	113 Å²	113	78.1 Å²	78.1	43%	0.426	41%	0.407	S	S	.	.			trans	-105.5	137.6	174.7	-66.2	176	66	-167.5	6.2	109.7	S65 F77	S65-R75 WeakPolarHBondContact CA-O 3.49Å; S65-R75 WeakPolarHBondContact CB-O 3.43Å; R75-F77 HydrophobicContact CB-CE2 3.69Å; R75-F77 HydrophobicContact CB-CZ 4.01Å
76	Y	92.9	Very high	90.3	Very high	135 Å²	135	78.1 Å²	78.1	53%	0.529	41%	0.408	S	S	.	.			trans	-114.6	134.6	-178.2	-58.6	-73.9	0	0	0	110.4	T59 W64 K74	T59-Y76 HydrophobicContact CG2-CD1 3.77Å; T59-Y76 HydrophobicContact CG2-CE1 3.5Å; W64-Y76 CarbonylContact O-C 3.57Å; W64-Y76 WeakPolarHBondContact O-CA 3.39Å; K74-Y76 HydrophobicContact CB-CE2 4.3Å
77	F	92.9	Very high	90.3	Very high	27 Å²	27	78.7 Å²	78.7	12%	0.118	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-128.7	131.5	-178	-58.6	-91.8	0	0	0	109.8	W64 R75 K79 N82 L83 A86	W64-F77 HydrophobicContact CB-CB 4.44Å; W64-F77 WeakPolarHBondContact CB-O 3.43Å; W64-F77 PolarHBondContact N-O 2.93Å; W64-F77 PolarHBondContact O-N 3.39Å; R75-F77 HydrophobicContact CB-CE2 3.69Å; R75-F77 HydrophobicContact CB-CZ 4.01Å; F77-K79 PolarHBondContact O-N 3.5Å; F77-N82 HydrophobicContact CB-CB 4.43Å; F77-N82 HydrophobicContact CD1-CB 4.12Å; F77-L83 HydrophobicContact CB-CB 4.03Å; F77-L83 HydrophobicContact CD1-CB 4.4Å; F77-L83 HydrophobicContact CD2-CB 3.63Å; F77-L83 HydrophobicContact CD2-CD1 3.87Å; F77-L83 HydrophobicContact CD2-CG 3.88Å; F77-L83 HydrophobicContact CE2-CB 4.12Å; F77-L83 HydrophobicContact CE2-CD1 4.29Å; F77-L83 HydrophobicContact CE2-CG 4.06Å; F77-L83 HydrophobicContact CG-CB 3.77Å; F77-A86 HydrophobicContact CE1-CB 3.56Å; F77-A86 HydrophobicContact CZ-CB 3.59Å
78	R	91.8	Very high	90.5	Very high	224 Å²	224	78.1 Å²	78.1	85%	0.845	41%	0.406	S	S	*	.	S	Bend	trans	-62.9	-31	178.8	-62.7	-171.5	-175.6	-161.7	1.9	113.2
79	K	91.7	Very high	90.9	Very high	79 Å²	79	82.4 Å²	82.4	34%	0.343	42%	0.421	S	S	.	.	S	Bend	trans	-130.5	141	-179.7	-64.1	-170	167	-149.9	0	110.1	D2 F77 K81 N82 L83	D2-K79 IonicContact OD1-NZ 2.81Å; D2-K79 PolarHBondContact OD1-NZ 3.01Å; D2-K79 WeakPolarHBondContact OD2-CD 3.39Å; D2-K79 WeakPolarHBondContact OD2-CE 3.33Å; D2-K79 IonicContact OD2-NZ 3.31Å; D2-K79 PolarHBondContact OD2-NZ 3.44Å; F77-K79 PolarHBondContact O-N 3.5Å; K79-K81 HydrophobicContact CB-CG 3.98Å; K79-K81 HydrophobicContact CD-CD 4.39Å; K79-K81 PolarHBondContact O-N 3.02Å; K79-N82 WeakPolarHBondContact O-CB 3.28Å; K79-N82 PolarHBondContact O-N 3.11Å; K79-L83 PolarHBondContact O-N 2.74Å
80	I	92.5	Very high	91.3	Very high	9 Å²	9	83.5 Å²	83.5	5%	0.046	42%	0.423	C	S	.	.	H	α-helix	trans	-59.2	-34.1	177.8	-170.8	167.8	0	0	0	113.2	V4 L31 W64 N82 L83 I84	V4-I80 HydrophobicContact CG2-CG2 3.6Å; L31-I80 HydrophobicContact CD1-CD1 4.46Å; L31-I80 HydrophobicContact CD2-CD1 3.22Å; L31-I80 HydrophobicContact CD2-CG1 4.39Å; L31-I80 HydrophobicContact CG-CD1 4.46Å; W64-I80 HydrophobicContact CD2-CB 3.76Å; W64-I80 HydrophobicContact CD2-CD1 4.37Å; W64-I80 HydrophobicContact CD2-CG1 4.25Å; W64-I80 HydrophobicContact CE3-CB 4.13Å; W64-I80 HydrophobicContact CE3-CD1 3.88Å; W64-I80 HydrophobicContact CE3-CG1 4.12Å; W64-I80 HydrophobicContact CG-CB 4.13Å; W64-I80 HydrophobicContact CH2-CB 4.42Å; W64-I80 HydrophobicContact CH2-CD1 3.83Å; W64-I80 HydrophobicContact CZ2-CB 4.09Å; W64-I80 HydrophobicContact CZ2-CD1 4.33Å; W64-I80 HydrophobicContact CZ2-CG2 4.42Å; W64-I80 HydrophobicContact CZ3-CB 4.45Å; W64-I80 HydrophobicContact CZ3-CD1 3.59Å; W64-I80 HydrophobicContact CZ3-CG1 4.32Å; I80-N82 PolarHBondContact O-N 2.97Å; I80-L83 WeakPolarHBondContact O-CB 3.2Å; I80-L83 PolarHBondContact O-N 3.01Å; I80-L83 VanDerWaalsContact O-N 3.09Å; I80-I84 HydrophobicContact CG1-CD1 4.38Å; I80-I84 PolarHBondContact O-N 2.99Å
81	K	92.8	Very high	91.4	Very high	97 Å²	97	84.7 Å²	84.7	42%	0.422	42%	0.422	S	S	.	.	H	α-helix	trans	-58.6	-36.4	175.3	70.7	-176.6	-172.6	175.6	0	112.4	K79 I84 S85	K79-K81 HydrophobicContact CB-CG 3.98Å; K79-K81 HydrophobicContact CD-CD 4.39Å; K79-K81 PolarHBondContact O-N 3.02Å; K81-I84 PolarHBondContact O-N 2.97Å; K81-S85 PolarHBondContact O-N 3.34Å; K81-S85 PolarHBondContact O-OG 3.3Å; K81-S85 VanDerWaalsContact O-OG 3.12Å
82	N	93.8	Very high	91.6	Very high	75 Å²	75	83 Å²	83	40%	0.401	39%	0.39	S	S	.	.	H	α-helix	trans	-72.4	-33.9	178.8	-64.6	0.6	0	0	0	111.2	F77 K79 I80 A86	F77-N82 HydrophobicContact CB-CB 4.43Å; F77-N82 HydrophobicContact CD1-CB 4.12Å; K79-N82 WeakPolarHBondContact O-CB 3.28Å; K79-N82 PolarHBondContact O-N 3.11Å; I80-N82 PolarHBondContact O-N 2.97Å; N82-A86 WeakPolarHBondContact O-CB 3.48Å; N82-A86 PolarHBondContact O-N 2.86Å
83	L	93.3	Very high	91.6	Very high	2 Å²	2	82.6 Å²	82.6	1%	0.01	40%	0.403	C	S	.	.	H	α-helix	trans	-62	-47.6	172.5	177.7	153.4	0	0	0	110.2	V56 W64 F77 K79 I80 A86 F87	V56-L83 HydrophobicContact CG1-CD1 3.85Å; V56-L83 HydrophobicContact CG1-CD2 4.47Å; V56-L83 HydrophobicContact CG2-CD2 4.42Å; W64-L83 HydrophobicContact CB-CD1 4.13Å; F77-L83 HydrophobicContact CB-CB 4.03Å; F77-L83 HydrophobicContact CD1-CB 4.4Å; F77-L83 HydrophobicContact CD2-CB 3.63Å; F77-L83 HydrophobicContact CD2-CD1 3.87Å; F77-L83 HydrophobicContact CD2-CG 3.88Å; F77-L83 HydrophobicContact CE2-CB 4.12Å; F77-L83 HydrophobicContact CE2-CD1 4.29Å; F77-L83 HydrophobicContact CE2-CG 4.06Å; F77-L83 HydrophobicContact CG-CB 3.77Å; K79-L83 PolarHBondContact O-N 2.74Å; I80-L83 WeakPolarHBondContact O-CB 3.2Å; I80-L83 PolarHBondContact O-N 3.01Å; I80-L83 VanDerWaalsContact O-N 3.09Å; L83-A86 WeakPolarHBondContact O-CB 3.28Å; L83-A86 PolarHBondContact O-N 3.15Å; L83-F87 HydrophobicContact CD1-CE2 4.49Å; L83-F87 HydrophobicContact CD2-CD2 3.7Å; L83-F87 HydrophobicContact CD2-CE2 3.59Å; L83-F87 HydrophobicContact CG-CD2 4.12Å; L83-F87 HydrophobicContact CG-CE2 3.74Å; L83-F87 WeakPolarHBondContact O-CD2 3.15Å; L83-F87 PolarHBondContact O-N 2.89Å
84	I	94.1	Very high	91.7	Very high	7 Å²	7	75.5 Å²	75.5	4%	0.036	37%	0.371	C	S	.	.	H	α-helix	trans	-60.2	-50.1	176.4	-68.1	169.1	0	0	0	110.3	V4 V6 Y29 I80 K81 A86 F87 Q88 L98	V4-I84 HydrophobicContact CG1-CD1 3.74Å; V4-I84 HydrophobicContact CG2-CD1 4.49Å; V6-I84 HydrophobicContact CG2-CD1 3.96Å; Y29-I84 HydrophobicContact CE2-CG2 3.71Å; I80-I84 HydrophobicContact CG1-CD1 4.38Å; I80-I84 PolarHBondContact O-N 2.99Å; K81-I84 PolarHBondContact O-N 2.97Å; I84-A86 PolarHBondContact O-N 3.27Å; I84-F87 PolarHBondContact O-N 3.3Å; I84-Q88 WeakPolarHBondContact O-CG 3.4Å; I84-Q88 PolarHBondContact O-N 3.26Å; I84-Q88 VanDerWaalsContact O-N 3.12Å; I84-L98 HydrophobicContact CG2-CD1 4Å
85	S	94	Very high	91.9	Very high	58 Å²	58	72.6 Å²	72.6	41%	0.406	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-28.6	178.4	-63.1	0	0	0	0	113.9	K81	K81-S85 PolarHBondContact O-N 3.34Å; K81-S85 PolarHBondContact O-OG 3.3Å; K81-S85 VanDerWaalsContact O-OG 3.12Å
86	A	93.9	Very high	92.1	Very high	9 Å²	9	68.4 Å²	68.4	7%	0.074	35%	0.348	C	S	.	.	H	α-helix	trans	-65.2	-47.6	172.8	0	0	0	0	0	110.6	F77 N82 L83 I84 Q88 K89 Q92	F77-A86 HydrophobicContact CE1-CB 3.56Å; F77-A86 HydrophobicContact CZ-CB 3.59Å; N82-A86 WeakPolarHBondContact O-CB 3.48Å; N82-A86 PolarHBondContact O-N 2.86Å; L83-A86 WeakPolarHBondContact O-CB 3.28Å; L83-A86 PolarHBondContact O-N 3.15Å; I84-A86 PolarHBondContact O-N 3.27Å; A86-Q88 PolarHBondContact O-N 2.89Å; A86-K89 WeakPolarHBondContact O-CB 3.46Å; A86-K89 PolarHBondContact O-N 2.88Å; A86-K89 VanDerWaalsContact O-N 3.15Å; A86-Q92 VanDerWaalsContact O-CG 3.31Å; A86-Q92 WeakPolarHBondContact O-CG 2.83Å
87	F	93.8	Very high	92.3	Very high	20 Å²	20	63.8 Å²	63.8	9%	0.088	33%	0.334	C	S	.	.	H	α-helix	trans	-72.2	-7.7	179.5	-70.8	-55.4	0	0	0	115.1	L43 A66 L83 I84 Q92 I94 P97 L98	L43-F87 HydrophobicContact CD2-CD2 4.4Å; A66-F87 HydrophobicContact CB-CE2 3.9Å; A66-F87 HydrophobicContact CB-CZ 3.79Å; L83-F87 HydrophobicContact CD1-CE2 4.49Å; L83-F87 HydrophobicContact CD2-CD2 3.7Å; L83-F87 HydrophobicContact CD2-CE2 3.59Å; L83-F87 HydrophobicContact CG-CD2 4.12Å; L83-F87 HydrophobicContact CG-CE2 3.74Å; L83-F87 WeakPolarHBondContact O-CD2 3.15Å; L83-F87 PolarHBondContact O-N 2.89Å; I84-F87 PolarHBondContact O-N 3.3Å; F87-Q92 HydrophobicContact CD1-CB 3.84Å; F87-Q92 HydrophobicContact CE1-CB 4.33Å; F87-I94 HydrophobicContact CB-CD1 3.79Å; F87-I94 HydrophobicContact CD1-CD1 4Å; F87-I94 HydrophobicContact CD1-CG1 4.16Å; F87-I94 HydrophobicContact CD1-CG2 3.64Å; F87-I94 HydrophobicContact CE1-CG2 3.68Å; F87-I94 HydrophobicContact CG-CD1 4.17Å; F87-I94 HydrophobicContact CG-CG2 4.44Å; F87-I94 HydrophobicContact CZ-CG2 4.48Å; F87-P97 WeakPolarHBondContact O-CA 3.48Å; F87-L98 HydrophobicContact CB-CD1 3.6Å; F87-L98 HydrophobicContact CB-CG 3.81Å; F87-L98 PolarHBondContact O-N 3.49Å
88	Q	94.9	Very high	92.4	Very high	87 Å²	87	62.7 Å²	62.7	41%	0.407	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.1	168.4	-68.2	177.1	-32.3	0	0	112.6	Y29 I84 A86 L98	Y29-Q88 PolarHBondContact OH-NE2 2.9Å; I84-Q88 WeakPolarHBondContact O-CG 3.4Å; I84-Q88 PolarHBondContact O-N 3.26Å; I84-Q88 VanDerWaalsContact O-N 3.12Å; A86-Q88 PolarHBondContact O-N 2.89Å; Q88-L98 HydrophobicContact CG-CB 3.89Å; Q88-L98 WeakPolarHBondContact CG-O 3.33Å
89	K	94.3	Very high	92.6	Very high	134 Å²	134	56.6 Å²	56.6	58%	0.583	31%	0.311	S	S	*	.	S	Bend	trans	-84.9	154.7	177.7	-62.7	-175.8	179.7	-176.1	0	111.1	A86 Q92	A86-K89 WeakPolarHBondContact O-CB 3.46Å; A86-K89 PolarHBondContact O-N 2.88Å; A86-K89 VanDerWaalsContact O-N 3.15Å; K89-Q92 HydrophobicContact CB-CG 4.05Å; K89-Q92 WeakPolarHBondContact O-CG 3.24Å
90	P	91.5	Very high	92.9	Very high	85 Å²	85	57.7 Å²	57.7	55%	0.552	31%	0.314	S	S	*	.	S	Bend	trans	-64.3	159.7	170.8	28.5	-35.3	0	0	0	112.4	Q92	P90-Q92 WeakPolarHBondContact O-CG 3.32Å; P90-Q92 PolarHBondContact O-N 3.4Å; P90-Q92 PolarHBondContact O-NE2 3.41Å
91	D	86.9	Confident	93.1	Very high	161 Å²	161	60.1 Å²	60.1	86%	0.861	33%	0.33	S	S	*	.	S	Bend	trans	58.3	38	172	-57.8	-65.3	0	0	0	115.4
92	Q	88.5	Confident	93.2	Very high	55 Å²	55	56.3 Å²	56.3	26%	0.257	32%	0.315	S	S	.	.	S	Bend	trans	-99	11.1	-178.9	-57	-62.9	-63.6	0	0	114	A86 F87 K89 P90	A86-Q92 VanDerWaalsContact O-CG 3.31Å; A86-Q92 WeakPolarHBondContact O-CG 2.83Å; F87-Q92 HydrophobicContact CD1-CB 3.84Å; F87-Q92 HydrophobicContact CE1-CB 4.33Å; K89-Q92 HydrophobicContact CB-CG 4.05Å; K89-Q92 WeakPolarHBondContact O-CG 3.24Å; P90-Q92 WeakPolarHBondContact O-CG 3.32Å; P90-Q92 PolarHBondContact O-N 3.4Å; P90-Q92 PolarHBondContact O-NE2 3.41Å
93	G	85.1	Confident	93.2	Very high	77 Å²	77	58.4 Å²	58.4	79%	0.794	32%	0.322	S	S	*	.	S	Bend	trans	78.1	18.8	178.9	0	0	0	0	0	114.9
94	I	89.1	Confident	93	Very high	29 Å²	29	63.8 Å²	63.8	15%	0.149	35%	0.345	C	S	.	.	S	Bend	trans	-112.8	160.8	169.2	62.2	167.5	0	0	0	109.9	Y54 F87 I96 L98	Y54-I94 HydrophobicContact CD1-CG2 4.21Å; Y54-I94 HydrophobicContact CE1-CB 4.23Å; Y54-I94 HydrophobicContact CE1-CG2 3.82Å; Y54-I94 HydrophobicContact CE2-CB 4.34Å; Y54-I94 HydrophobicContact CE2-CG2 4.31Å; F87-I94 HydrophobicContact CB-CD1 3.79Å; F87-I94 HydrophobicContact CD1-CD1 4Å; F87-I94 HydrophobicContact CD1-CG1 4.16Å; F87-I94 HydrophobicContact CD1-CG2 3.64Å; F87-I94 HydrophobicContact CE1-CG2 3.68Å; F87-I94 HydrophobicContact CG-CD1 4.17Å; F87-I94 HydrophobicContact CG-CG2 4.44Å; F87-I94 HydrophobicContact CZ-CG2 4.48Å; I94-I96 VanDerWaalsContact C-N 3.31Å; I94-I96 WeakPolarHBondContact CD1-O 3.46Å; I94-I96 WeakPolarHBondContact CG1-O 3.41Å; I94-I96 PolarHBondContact O-N 3.3Å; I94-L98 HydrophobicContact CD1-CD2 3.97Å; I94-L98 HydrophobicContact CD1-CG 4.08Å
95	V	92.2	Very high	92.3	Very high	42 Å²	42	72.9 Å²	72.9	26%	0.255	38%	0.384	S	S	.	.	S	Bend	trans	-57.6	-37.9	-173.2	68.5	0	0	0	0	114.3	Y47 Y52 Y54	Y47-V95 HydrophobicContact CD1-CB 4.46Å; Y47-V95 HydrophobicContact CD1-CG2 3.19Å; Y47-V95 HydrophobicContact CE1-CG2 3.63Å; Y47-V95 HydrophobicContact CG-CG1 4.32Å; Y47-V95 HydrophobicContact CG-CG2 3.76Å; Y52-V95 HydrophobicContact CD1-CB 4.16Å; Y52-V95 HydrophobicContact CD1-CG1 4.18Å; Y52-V95 HydrophobicContact CD1-CG2 4.37Å; Y52-V95 HydrophobicContact CD2-CB 4.35Å; Y52-V95 HydrophobicContact CD2-CG1 3.73Å; Y52-V95 HydrophobicContact CD2-CG2 4.26Å; Y52-V95 HydrophobicContact CE1-CB 4.29Å; Y52-V95 HydrophobicContact CE1-CG2 4.03Å; Y52-V95 HydrophobicContact CE2-CB 4.47Å; Y52-V95 HydrophobicContact CE2-CG1 4.23Å; Y52-V95 HydrophobicContact CE2-CG2 3.91Å; Y52-V95 HydrophobicContact CG-CB 4.19Å; Y52-V95 HydrophobicContact CG-CG1 3.7Å; Y52-V95 HydrophobicContact CG-CG2 4.48Å; Y54-V95 WeakPolarHBondContact OH-CG1 3.39Å; Y54-V95 PolarHBondContact OH-N 2.93Å
96	I	94.8	Very high	90.7	Very high	24 Å²	24	75 Å²	75	12%	0.123	40%	0.399	C	S	.	.	S	Bend	trans	-151.6	146.8	175.3	-170.2	172.6	0	0	0	108.4	D26 V45 Y47 I94	D26-I96 HydrophobicContact CB-CD1 3.97Å; V45-I96 HydrophobicContact CG1-CG2 3.78Å; Y47-I96 HydrophobicContact CD2-CB 3.64Å; Y47-I96 HydrophobicContact CD2-CD1 3.67Å; Y47-I96 HydrophobicContact CD2-CG1 4.15Å; Y47-I96 HydrophobicContact CD2-CG2 3.84Å; Y47-I96 HydrophobicContact CE2-CB 4.01Å; Y47-I96 HydrophobicContact CE2-CD1 3.8Å; Y47-I96 HydrophobicContact CE2-CG1 4.25Å; Y47-I96 HydrophobicContact CG-CB 4.31Å; Y47-I96 HydrophobicContact CG-CG2 4.25Å; I94-I96 VanDerWaalsContact C-N 3.31Å; I94-I96 WeakPolarHBondContact CD1-O 3.46Å; I94-I96 WeakPolarHBondContact CG1-O 3.41Å; I94-I96 PolarHBondContact O-N 3.3Å
97	P	96	Very high	88.9	Confident	39 Å²	39	80.2 Å²	80.2	25%	0.253	44%	0.436	S	S	.	.			trans	-55.2	145.3	172	-27	37.3	0	0	0	112.2	F87 Q99	F87-P97 WeakPolarHBondContact O-CA 3.48Å; P97-Q99 PolarHBondContact O-N 3.14Å
98	L	96.5	Very high	86.6	Confident	4 Å²	4	83.1 Å²	83.1	2%	0.021	46%	0.463	C	S	.	.			trans	-69.4	116.7	174.6	-55.7	-175.9	0	0	0	109.2	Y29 L43 V45 I84 F87 Q88 I94	Y29-L98 HydrophobicContact CD1-CB 3.7Å; Y29-L98 HydrophobicContact CD1-CD2 4.23Å; Y29-L98 HydrophobicContact CD1-CG 4.41Å; Y29-L98 HydrophobicContact CD2-CB 4.42Å; Y29-L98 HydrophobicContact CD2-CD1 4Å; Y29-L98 HydrophobicContact CD2-CD2 4.29Å; Y29-L98 HydrophobicContact CD2-CG 4.47Å; Y29-L98 HydrophobicContact CE1-CB 3.68Å; Y29-L98 HydrophobicContact CE2-CB 4.41Å; Y29-L98 HydrophobicContact CE2-CD1 4.07Å; Y29-L98 HydrophobicContact CG-CB 4.08Å; Y29-L98 HydrophobicContact CG-CD1 4.33Å; Y29-L98 HydrophobicContact CG-CD2 3.86Å; Y29-L98 HydrophobicContact CG-CG 4.3Å; L43-L98 HydrophobicContact CD1-CD1 4.42Å; L43-L98 HydrophobicContact CD2-CD1 4.23Å; V45-L98 HydrophobicContact CB-CD2 4.49Å; V45-L98 HydrophobicContact CG1-CD2 4.12Å; V45-L98 HydrophobicContact CG2-CD2 3.5Å; I84-L98 HydrophobicContact CG2-CD1 4Å; F87-L98 HydrophobicContact CB-CD1 3.6Å; F87-L98 HydrophobicContact CB-CG 3.81Å; F87-L98 PolarHBondContact O-N 3.49Å; Q88-L98 HydrophobicContact CG-CB 3.89Å; Q88-L98 WeakPolarHBondContact CG-O 3.33Å; I94-L98 HydrophobicContact CD1-CD2 3.97Å; I94-L98 HydrophobicContact CD1-CG 4.08Å
99	Q	95.9	Very high	84	Confident	95 Å²	95	89.9 Å²	89.9	44%	0.444	49%	0.485	S	S	.	.			trans	-118.9	-48.5	-173	-72.2	-178.4	86.8	0	0	112.4	G27 P97 P101	G27-Q99 PolarHBondContact O-N 2.95Å; P97-Q99 PolarHBondContact O-N 3.14Å; Q99-P101 VanDerWaalsContact O-CD 3.3Å; Q99-P101 WeakPolarHBondContact O-CD 3.39Å
100	Y	96.6	Very high	81.2	Confident	103 Å²	103	88.9 Å²	88.9	40%	0.404	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	96.4	-170.6	-50.3	-69.8	0	0	0	110.5	L25 D26 G27 S28 Y29 V102	L25-Y100 HydrophobicContact CB-CD2 3.67Å; L25-Y100 HydrophobicContact CB-CE2 3.95Å; L25-Y100 HydrophobicContact CB-CG 4.32Å; L25-Y100 HydrophobicContact CD1-CD1 4.23Å; L25-Y100 HydrophobicContact CD1-CD2 4.15Å; L25-Y100 HydrophobicContact CD1-CE1 4.48Å; L25-Y100 HydrophobicContact CD1-CE2 4.4Å; L25-Y100 HydrophobicContact CD1-CG 4.05Å; D26-Y100 WeakPolarHBondContact O-CD2 3.29Å; D26-Y100 VanDerWaalsContact O-CE2 3.23Å; D26-Y100 WeakPolarHBondContact O-CE2 3.28Å; G27-Y100 PolarHBondContact O-N 2.96Å; G27-Y100 VanDerWaalsContact O-N 3.09Å; S28-Y100 VanDerWaalsContact CA-O 3.28Å; S28-Y100 WeakPolarHBondContact CA-O 3.46Å; Y29-Y100 WeakPolarHBondContact CD1-O 3.42Å; Y29-Y100 PolarHBondContact N-O 3.43Å; Y100-V102 PolarHBondContact O-N 2.94Å
101	P	96.2	Very high	78.7	Confident	59 Å²	59	91 Å²	91	38%	0.383	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	120.3	178.8	24.4	-32.1	0	0	0	110.7	V6 Y29 Q99 E103	V6-P101 HydrophobicContact CG1-CB 3.24Å; Y29-P101 HydrophobicContact CE1-CB 3.97Å; Q99-P101 VanDerWaalsContact O-CD 3.3Å; Q99-P101 WeakPolarHBondContact O-CD 3.39Å; P101-E103 PolarHBondContact O-N 2.94Å
102	V	96	Very high	76.6	Confident	18 Å²	18	91.9 Å²	91.9	11%	0.109	51%	0.505	C	S	.	.			trans	-89.1	94.4	172.7	-176.6	0	0	0	0	108.5	H8 L19 L20 T23 Y29 L30 Y100	H8-V102 PolarHBondContact NE2-O 3.12Å; L19-V102 HydrophobicContact CB-CG1 4.34Å; L20-V102 HydrophobicContact CD2-CG2 3.92Å; T23-V102 HydrophobicContact CG2-CG2 3.68Å; Y29-V102 WeakPolarHBondContact O-CB 3.3Å; Y29-V102 PolarHBondContact O-N 2.82Å; L30-V102 HydrophobicContact CB-CB 4.28Å; L30-V102 HydrophobicContact CD2-CG1 4.49Å; Y100-V102 PolarHBondContact O-N 2.94Å
103	E	94	Very high	74.1	Confident	118 Å²	118	93.2 Å²	93.2	55%	0.551	53%	0.533	S	S	*	.			trans	-74.5	146.4	-175.7	-60	-174.2	-167.2	0	0	112.4	A5 P101 K105	A5-E103 HydrophobicContact CB-CB 4.32Å; A5-E103 HydrophobicContact CB-CG 3.75Å; A5-E103 WeakPolarHBondContact O-CA 3.17Å; P101-E103 PolarHBondContact O-N 2.94Å; E103-K105 PolarHBondContact O-N 3.19Å
104	K	88.8	Confident	72.3	Confident	116 Å²	116	94.8 Å²	94.8	50%	0.504	53%	0.528	S	S	.	.			trans	-67.8	117.6	170.4	-175.2	-176.7	-173.2	157	0	108	A5 H8 S106	A5-K104 PolarHBondContact O-N 3.28Å; H8-K104 PolarHBondContact O-NZ 3.12Å; K104-S106 PolarHBondContact O-N 2.99Å
105	K	79.8	Confident	70.1	Confident	197 Å²	197	100.1 Å²	100.1	86%	0.857	56%	0.562	S	S	*	*			trans	-58.7	105.2	166.4	-65.9	-173	-179.7	-177.5	0	107.2	E103 S107	E103-K105 PolarHBondContact O-N 3.19Å; K105-S107 PolarHBondContact O-N 2.88Å
106	S	60.8	Low	67.8	Low	102 Å²	102	101.5 Å²	101.5	71%	0.713	58%	0.584	S	S	*	*			trans	-57.3	115.8	169	54.2	0	0	0	0	105.6	K104 A108	K104-S106 PolarHBondContact O-N 2.99Å; S106-A108 PolarHBondContact O-N 2.95Å
107	S	54.3	Low	65.8	Low	120 Å²	120	107.5 Å²	107.5	84%	0.839	62%	0.615	S	S	*	*			trans	-60.3	96.5	168.2	-163.2	0	0	0	0	105.2	K105 R109	K105-S107 PolarHBondContact O-N 2.88Å; S107-R109 PolarHBondContact O-N 3.28Å
108	A	46.1	Very low	63.4	Low	81 Å²	81	115.5 Å²	115.5	67%	0.669	64%	0.641	S	S	*	*			trans	-55.9	113.2	173.8	0	0	0	0	0	104.6	S106 S110	S106-A108 PolarHBondContact O-N 2.95Å; A108-S110 PolarHBondContact O-N 2.87Å
109	R	40.2	Very low	61	Low	229 Å²	229	123.4 Å²	123.4	86%	0.864	68%	0.677	S	S	*	*			trans	-48.1	108.8	174	-169.1	173.7	-170.3	165.8	0.8	106.6	S107 T111	S107-R109 PolarHBondContact O-N 3.28Å; R109-T111 PolarHBondContact O-N 2.96Å; R109-T111 PolarHBondContact O-OG1 3.31Å
110	S	35.1	Very low	58.7	Low	113 Å²	113	126.2 Å²	126.2	79%	0.79	70%	0.695	S	S	*	*			trans	-46.9	105.7	170.8	-58	0	0	0	0	107.8	A108	A108-S110 PolarHBondContact O-N 2.87Å
111	T	39.9	Very low	56.5	Low	130 Å²	130	126.2 Å²	126.2	80%	0.798	71%	0.708	S	S	*	*			trans	-94.7	105.4	165.3	-35.1	0	0	0	0	103.6	R109 G113	R109-T111 PolarHBondContact O-N 2.96Å; R109-T111 PolarHBondContact O-OG1 3.31Å; T111-G113 PolarHBondContact O-N 3.3Å
112	Q	42.1	Very low	54.4	Low	179 Å²	179	130.1 Å²	130.1	84%	0.836	73%	0.725	S	S	*	*			trans	-53.2	105.9	172.7	-76	168.6	-33.3	0	0	108.3	T114	Q112-T114 PolarHBondContact O-N 2.77Å
113	G	35.8	Very low	52.6	Low	82 Å²	82	135 Å²	135	85%	0.845	76%	0.755	S	S	*	*			trans	-79.7	95.9	166.5	0	0	0	0	0	108.5	T111	T111-G113 PolarHBondContact O-N 3.3Å
114	T	47.9	Very low	50.5	Low	111 Å²	111	135.8 Å²	135.8	68%	0.681	77%	0.772	S	S	*	*			trans	-77.1	130.1	173.8	-57.5	0	0	0	0	109.4	Q112	Q112-T114 PolarHBondContact O-N 2.77Å
115	T	42.3	Very low	48.5	Very low	141 Å²	141	137.3 Å²	137.3	87%	0.865	79%	0.785	S	S	*	*			trans	67.3	125.9	152.8	54.4	0	0	0	0	121.7
116	G	44.8	Very low	46.8	Very low	70 Å²	70	137.6 Å²	137.6	72%	0.722	79%	0.786	S	S	*	*			trans	136.5	87.5	159.5	0	0	0	0	0	112.5
117	I	52.5	Low	45.8	Very low	150 Å²	150	136.8 Å²	136.8	77%	0.769	79%	0.785	S	S	*	*				58.1	106.6	86.8	-59.2	-76.9	0	0	0	113.6
118	R	46.7	Very low	46.2	Very low	208 Å²	208	140.6 Å²	140.6	79%	0.785	81%	0.807	S	S	*	*			trans	70	139.9	152.7	-61.6	168.3	67.4	-150.6	-6	115.4
119	E	45.3	Very low	46.2	Very low	169 Å²	169	143.6 Å²	143.6	79%	0.79	81%	0.814	S	S	*	*			cis	-153.9	148.1	34.7	-67.9	177.3	102.4	0	0	110.8
120	D	47.5	Very low	46.5	Very low	155 Å²	155	139.1 Å²	139.1	83%	0.829	81%	0.812	S	S	*	*			trans	-92.5	141.6	163.3	-173.3	-106.6	0	0	0	107.4
121	P	50.9	Low	47.2	Very low	102 Å²	102	140.5 Å²	140.5	66%	0.662	81%	0.813	S	S	*	*				-153.3	171.4	93.5	34.6	-11.6	0	0	0	117.4
122	D	52.6	Low	47.6	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	81%	0.814	S	S	*	*			trans	124.1	78.5	152.1	-73.9	-68.8	0	0	0	118.5
123	V	56.8	Low	47.9	Very low	122 Å²	122	138.8 Å²	138.8	74%	0.739	81%	0.812	S	S	*	*				21	128.7	123.7	169.6	0	0	0	0	119.5
124	C	50.8	Low	48.7	Very low	133 Å²	133	142.5 Å²	142.5	90%	0.899	81%	0.81	S	S	*	*				-147.7	105.8	127	-163.3	0	0	0	0	111.3
125	L	46.9	Very low	48.8	Very low	148 Å²	148	144.8 Å²	144.8	78%	0.775	82%	0.819	S	S	*	*			trans	-93.6	134.6	165.9	-92.3	138.5	0	0	0	109.2
126	K	44	Very low	49.3	Very low	204 Å²	204	145.1 Å²	145.1	89%	0.887	82%	0.816	S	S	*	*				178.2	128.5	116	-103.4	176.2	174.5	-175.7	0	112.5
127	A	40.2	Very low	49.7	Very low	84 Å²	84	151.3 Å²	151.3	69%	0.694	82%	0.823	S	S	*	*			trans	-91.9	173.7	159.5	0	0	0	0	0	109.8
128	P	62	Low	49.4	Very low	200 Å²	200	151.5 Å²	151.5	100%	1.299	83%	0.828	S	S	*	*			trans	-74.8	0	135.6	33.3	-29.3	0	0	0	112

Retrieved 128 of 128 residues in 31.5 ms (Link to these results)

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