A0A087YLC9_POEFO Loading...

MIA SH3 domain containing

AlphaFold DB , UniProt , Accession A0A087YLC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 122 aa.

						>A0A087YLC9_POEFO|A0A087YLC9
LSLSVMLFLTACKAGKQMPKLSNKKLCADSECSHPILIARALQDYYPGDCRFIPIQQGQLVYVYAMLKDRGNLFWAGSVQNTYYGEQEARIGHFPSSVVEETHALMPATTEVKTTNWDFYCN
					

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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	L	38.4	Very low	53.3	Low	220 Å²	220	145.5 Å²	145.5	100%	1.152	83%	0.826	S	S	*	*				0	105.2	0	-91.4	73.3	0	0	0	107.7
2	S	43.4	Very low	52.8	Low	125 Å²	125	143.5 Å²	143.5	87%	0.874	83%	0.826	S	S	*	*			trans	-79.6	118.8	179.8	-175.8	0	0	0	0	109.1	S4	S2-S4 PolarHBondContact O-N 2.84Å
3	L	46.8	Very low	52.6	Low	159 Å²	159	148 Å²	148	83%	0.832	83%	0.83	S	S	*	*			trans	-74.5	115.5	176.8	-99.8	81	0	0	0	109.4	V5	L3-V5 PolarHBondContact O-N 2.85Å
4	S	55.2	Low	52.5	Low	106 Å²	106	144.1 Å²	144.1	74%	0.741	83%	0.825	S	S	*	*			trans	-68.1	121.8	176	-161.5	0	0	0	0	110.7	S2 M6	S2-S4 PolarHBondContact O-N 2.84Å; S4-M6 PolarHBondContact O-N 3.44Å
5	V	58.4	Low	52.5	Low	124 Å²	124	139.2 Å²	139.2	75%	0.752	82%	0.819	S	S	*	*			trans	-80.5	103.6	173.1	176.4	0	0	0	0	108.1	L3 L7	L3-V5 PolarHBondContact O-N 2.85Å; V5-L7 HydrophobicContact CG1-CD1 4.45Å; V5-L7 PolarHBondContact O-N 2.86Å
6	M	61.3	Low	52.9	Low	149 Å²	149	141.9 Å²	141.9	73%	0.734	82%	0.818	S	S	*	*			trans	-73.9	104.6	170.6	-75.9	-80	-164.9	0	0	109.1	S4 F8	S4-M6 PolarHBondContact O-N 3.44Å; M6-F8 HydrophobicContact CB-CD2 4.42Å; M6-F8 HydrophobicContact CB-CE2 4.19Å; M6-F8 PolarHBondContact O-N 3.38Å
7	L	56.4	Low	53.6	Low	150 Å²	150	143.6 Å²	143.6	79%	0.785	82%	0.817	S	S	*	*			trans	-67.9	98.8	163	-98.1	91.3	0	0	0	108.4	V5 L9	V5-L7 HydrophobicContact CG1-CD1 4.45Å; V5-L7 PolarHBondContact O-N 2.86Å; L7-L9 PolarHBondContact O-N 3.4Å
8	F	55.3	Low	54.8	Low	181 Å²	181	138.9 Å²	138.9	79%	0.794	79%	0.787	S	S	*	*			trans	-69.3	98.4	163.8	-78.2	-81.6	0	0	0	108.4	M6 T10	M6-F8 HydrophobicContact CB-CD2 4.42Å; M6-F8 HydrophobicContact CB-CE2 4.19Å; M6-F8 PolarHBondContact O-N 3.38Å; F8-T10 PolarHBondContact O-N 3.03Å
9	L	54.4	Low	56.3	Low	164 Å²	164	136.9 Å²	136.9	86%	0.859	78%	0.78	S	S	*	*			trans	-63.5	90.6	161.8	-74.6	158.5	0	0	0	107.6	L7 A11	L7-L9 PolarHBondContact O-N 3.4Å; L9-A11 PolarHBondContact O-N 3.37Å
10	T	57.3	Low	58.1	Low	129 Å²	129	134.2 Å²	134.2	79%	0.791	76%	0.759	S	S	*	*			trans	-64.5	100.5	167.7	32.6	0	0	0	0	107.9	F8 C12	F8-T10 PolarHBondContact O-N 3.03Å; T10-C12 PolarHBondContact O-N 3.11Å
11	A	59.5	Low	59.8	Low	93 Å²	93	129.1 Å²	129.1	77%	0.769	73%	0.73	S	S	*	*			trans	-58.8	106.4	169.6	0	0	0	0	0	108.5	L9 K13	L9-A11 PolarHBondContact O-N 3.37Å; A11-K13 VanDerWaalsContact C-N 3.28Å; A11-K13 PolarHBondContact O-N 3.31Å
12	C	46.9	Very low	62.6	Low	122 Å²	122	119 Å²	119	82%	0.824	68%	0.677	S	S	*	*			trans	-70.7	87.2	174.2	-151.1	0	0	0	0	108	T10 A14	T10-C12 PolarHBondContact O-N 3.11Å; C12-A14 PolarHBondContact O-N 3.21Å
13	K	51.1	Low	65.2	Low	202 Å²	202	118.2 Å²	118.2	88%	0.878	66%	0.664	S	S	*	*			trans	-68.3	85.8	160.7	-87.4	175.8	171.7	176.7	0	106.8	A11 G15	A11-K13 VanDerWaalsContact C-N 3.28Å; A11-K13 PolarHBondContact O-N 3.31Å; K13-G15 PolarHBondContact O-N 3.14Å
14	A	50.9	Low	67.6	Low	93 Å²	93	114.1 Å²	114.1	77%	0.769	64%	0.639	S	S	*	*			trans	-74	52.4	177	0	0	0	0	0	111.6	C12 K16	C12-A14 PolarHBondContact O-N 3.21Å; A14-K16 PolarHBondContact O-N 2.81Å
15	G	52.7	Low	69.7	Low	71 Å²	71	110.1 Å²	110.1	73%	0.732	61%	0.608	S	S	*	*			trans	-86.1	85.6	162.3	0	0	0	0	0	107.8	K13 Q17	K13-G15 PolarHBondContact O-N 3.14Å; G15-Q17 PolarHBondContact O-N 2.84Å; G15-Q17 VanDerWaalsContact O-N 3.08Å
16	K	59.1	Low	71.6	Confident	183 Å²	183	106.3 Å²	106.3	80%	0.796	58%	0.584	S	S	*	*			trans	-67.6	110.4	176.5	-172.3	174.7	178.8	179.8	0	107.7	A14 M18	A14-K16 PolarHBondContact O-N 2.81Å; K16-M18 PolarHBondContact O-N 2.88Å
17	Q	64.6	Low	73.3	Confident	171 Å²	171	99.2 Å²	99.2	80%	0.799	55%	0.549	S	S	*	.			trans	-55.4	109.1	171.5	-177.2	178.1	-17.4	0	0	108.1	G15	G15-Q17 PolarHBondContact O-N 2.84Å; G15-Q17 VanDerWaalsContact O-N 3.08Å
18	M	74.1	Confident	75.3	Confident	59 Å²	59	92.6 Å²	92.6	29%	0.291	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-75.8	136	-178.6	-69.7	-162.4	-77	0	0	109.7	K16 D49 R51 C121	K16-M18 PolarHBondContact O-N 2.88Å; M18-D49 HydrophobicContact SD-CB 4.28Å; M18-R51 HydrophobicContact CE-CG 3.49Å; M18-R51 VanDerWaalsContact CE-CG 3.49Å; M18-R51 HydrophobicContact SD-CG 4.48Å; M18-C121 WeakPolarHBondContact CE-SG 3.45Å
19	P	84.4	Confident	77.4	Confident	101 Å²	101	85.3 Å²	85.3	66%	0.656	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-59.1	144.8	174.7	-22.5	32.6	0	0	0	111.4	L21 R51	P19-L21 PolarHBondContact O-N 2.78Å; P19-R51 PolarHBondContact O-NH1 3.47Å
20	K	91.8	Very high	79.4	Confident	81 Å²	81	81 Å²	81	35%	0.352	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-58	137.2	170.9	-65.4	-168.4	171.6	-176.9	0	110	S22 T114 N116 F119	K20-S22 VanDerWaalsContact C-N 3.34Å; K20-T114 PolarHBondContact NZ-O 2.85Å; K20-N116 WeakPolarHBondContact CE-OD1 3.39Å; K20-F119 HydrophobicContact CB-CD2 3.87Å; K20-F119 HydrophobicContact CB-CE2 3.6Å; K20-F119 HydrophobicContact CB-CZ 4.31Å; K20-F119 HydrophobicContact CD-CD2 4.33Å; K20-F119 HydrophobicContact CD-CE2 4.01Å; K20-F119 HydrophobicContact CG-CD2 3.68Å; K20-F119 HydrophobicContact CG-CE2 3.69Å
21	L	94.2	Very high	81.3	Confident	28 Å²	28	82 Å²	82	15%	0.147	46%	0.464	C	S	.	.	S	Bend	trans	-72.4	-32.5	174.1	-62.2	174.2	0	0	0	111.4	P19 F52 L67 G71 H93 F119	P19-L21 PolarHBondContact O-N 2.78Å; L21-F52 HydrophobicContact CD1-CE1 4.11Å; L21-F52 HydrophobicContact CD1-CZ 3.82Å; L21-F52 HydrophobicContact CD2-CZ 4.14Å; L21-L67 HydrophobicContact CB-CD1 3.67Å; L21-L67 HydrophobicContact CD1-CD1 4.23Å; L21-G71 WeakPolarHBondContact O-CA 3.33Å; L21-G71 PolarHBondContact O-N 2.97Å; L21-H93 HydrophobicContact CD1-CB 4.2Å; L21-F119 HydrophobicContact CB-CD1 4.15Å; L21-F119 HydrophobicContact CB-CE1 3.6Å; L21-F119 HydrophobicContact CB-CZ 4.22Å; L21-F119 HydrophobicContact CD1-CD1 4.07Å; L21-F119 HydrophobicContact CD1-CE1 4.07Å; L21-F119 HydrophobicContact CG-CD1 3.96Å; L21-F119 HydrophobicContact CG-CE1 3.92Å
22	S	96.7	Very high	83.1	Confident	7 Å²	7	78.3 Å²	78.3	5%	0.049	43%	0.433	C	S	.	.			trans	-152	164.7	174	-172.7	0	0	0	0	110.4	K20 K24 K68 T114 F119	K20-S22 VanDerWaalsContact C-N 3.34Å; S22-K24 PolarHBondContact OG-N 2.89Å; S22-K24 PolarHBondContact OG-O 2.81Å; S22-K68 WeakPolarHBondContact CB-O 3.35Å; S22-K68 PolarHBondContact OG-O 3.24Å; S22-T114 PolarHBondContact O-OG1 2.83Å; S22-F119 WeakPolarHBondContact O-CZ 3.4Å
23	N	97.2	Very high	85.4	Confident	110 Å²	110	75.8 Å²	75.8	59%	0.588	42%	0.416	S	S	*	.	S	Bend	trans	-92.6	-13.9	170.6	-70.5	-43	0	0	0	112.8	T114	N23-T114 WeakPolarHBondContact CA-OG1 3.2Å; N23-T114 PolarHBondContact O-N 3.15Å; N23-T114 PolarHBondContact O-OG1 2.72Å
24	K	98.1	Very high	87.5	Confident	73 Å²	73	70.6 Å²	70.6	32%	0.317	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.3	-170.4	-68.1	177.1	172.3	-156.1	0	110.9	S22 K68 E111 V112	S22-K24 PolarHBondContact OG-N 2.89Å; S22-K24 PolarHBondContact OG-O 2.81Å; K24-K68 HydrophobicContact CB-CB 4.05Å; K24-K68 HydrophobicContact CB-CD 4.36Å; K24-K68 HydrophobicContact CB-CG 4.43Å; K24-K68 PolarHBondContact O-N 3.01Å; K24-E111 HydrophobicContact CB-CG 4.49Å; K24-E111 HydrophobicContact CD-CG 4.41Å; K24-E111 WeakPolarHBondContact CD-OE1 3.38Å; K24-E111 VanDerWaalsContact CE-OE1 3.28Å; K24-E111 WeakPolarHBondContact CE-OE1 3.32Å; K24-E111 IonicContact NZ-OE1 2.73Å; K24-E111 PolarHBondContact NZ-OE1 2.84Å; K24-E111 IonicContact NZ-OE2 3.96Å; K24-V112 WeakPolarHBondContact CA-O 3.47Å
25	K	98.3	Very high	89.7	Confident	22 Å²	22	67.5 Å²	67.5	10%	0.096	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150.3	175.3	58.3	-179.6	177.3	172.5	0	110.2	C32 A65 M66 L67 E111 V112 T114 D118	K25-C32 WeakPolarHBondContact CE-SG 3.13Å; K25-C32 PolarHBondContact NZ-SG 3.21Å; K25-C32 VanDerWaalsContact NZ-SG 3.44Å; K25-A65 HydrophobicContact CB-CB 4.25Å; K25-A65 HydrophobicContact CD-CB 3.98Å; K25-M66 CarbonylContact C-O 3.59Å; K25-M66 VanDerWaalsContact CA-O 3.31Å; K25-M66 WeakPolarHBondContact CA-O 3.35Å; K25-L67 HydrophobicContact CB-CD2 3.92Å; K25-E111 WeakPolarHBondContact O-CA 3.15Å; K25-V112 HydrophobicContact CG-CB 4.15Å; K25-V112 PolarHBondContact N-O 3.08Å; K25-V112 PolarHBondContact O-N 3.34Å; K25-T114 HydrophobicContact CB-CG2 4.28Å; K25-T114 HydrophobicContact CD-CG2 4.31Å; K25-T114 HydrophobicContact CG-CG2 4.17Å; K25-D118 IonicContact NZ-OD1 2.7Å; K25-D118 PolarHBondContact NZ-OD1 2.85Å; K25-D118 IonicContact NZ-OD2 3.77Å
26	L	98.6	Very high	91.9	Very high	44 Å²	44	64.5 Å²	64.5	23%	0.23	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.3	166.3	-68.2	173.9	0	0	0	108.9	A65 M66 K68 A108 T110 E111	L26-A65 CarbonylContact O-C 3.52Å; L26-A65 VanDerWaalsContact O-CA 3.22Å; L26-A65 WeakPolarHBondContact O-CA 3.19Å; L26-M66 HydrophobicContact CB-CB 4.44Å; L26-M66 PolarHBondContact N-O 2.86Å; L26-M66 PolarHBondContact O-N 2.93Å; L26-K68 HydrophobicContact CD1-CD 4.48Å; L26-K68 HydrophobicContact CD2-CD 4.13Å; L26-K68 HydrophobicContact CG-CD 3.93Å; L26-K68 HydrophobicContact CG-CG 4.15Å; L26-A108 HydrophobicContact CB-CB 4.13Å; L26-T110 CarbonylContact C-O 3.55Å; L26-T110 WeakPolarHBondContact CA-O 3.45Å; L26-E111 HydrophobicContact CD2-CB 4.14Å
27	C	98.6	Very high	93.8	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	165.7	178.7	-64.7	0	0	0	0	110.4	D29 C32 T109 T110 V112	C27-D29 VanDerWaalsContact CB-O 3.23Å; C27-D29 WeakPolarHBondContact CB-O 3.37Å; C27-C32 HydrophobicContact CB-CB 3.73Å; C27-C32 WeakPolarHBondContact CB-SG 3.46Å; C27-C32 WeakPolarHBondContact SG-CB 3.26Å; C27-C32 CovalentContact SG-SG 2.03Å; C27-C32 PolarHBondContact SG-SG 2.83Å; C27-T109 PolarHBondContact O-N 3.26Å; C27-T110 PolarHBondContact N-O 3.08Å; C27-T110 WeakPolarHBondContact O-CB 3.14Å; C27-T110 PolarHBondContact O-N 3.07Å; C27-V112 HydrophobicContact CB-CG2 4.39Å
28	A	98.4	Very high	95.4	Very high	11 Å²	11	49.1 Å²	49.1	9%	0.091	27%	0.266	C	S	.	.	S	Bend	trans	-68.7	-39.8	170.6	0	0	0	0	0	111.7	H34 I36 M106 T110	A28-H34 HydrophobicContact CB-CB 4.03Å; A28-H34 WeakPolarHBondContact CB-O 3.4Å; A28-I36 HydrophobicContact CB-CG1 4.26Å; A28-M106 HydrophobicContact CB-CB 3.65Å; A28-M106 HydrophobicContact CB-CG 4.44Å; A28-M106 HydrophobicContact CB-SD 4.1Å; A28-T110 PolarHBondContact O-OG1 3.46Å
29	D	98.4	Very high	96.5	Very high	28 Å²	28	46.3 Å²	46.3	15%	0.15	25%	0.252	C	S	.	.	S	Bend	trans	-136.8	172.7	-179.1	61.6	-85.8	0	0	0	111.7	C27 E31 C32 S33 H34	C27-D29 VanDerWaalsContact CB-O 3.23Å; C27-D29 WeakPolarHBondContact CB-O 3.37Å; D29-E31 PolarHBondContact O-N 2.95Å; D29-E31 WeakPolarHBondContact OD2-CA 3.19Å; D29-E31 WeakPolarHBondContact OD2-CB 3.28Å; D29-E31 PolarHBondContact OD2-N 2.94Å; D29-E31 VanDerWaalsContact OD2-N 3.07Å; D29-C32 PolarHBondContact O-N 2.9Å; D29-C32 VanDerWaalsContact O-N 3.13Å; D29-C32 PolarHBondContact OD2-N 2.88Å; D29-C32 VanDerWaalsContact OD2-N 3.07Å; D29-S33 VanDerWaalsContact CG-OG 3.23Å; D29-S33 PolarHBondContact OD1-N 3.1Å; D29-S33 VanDerWaalsContact OD1-N 3.15Å; D29-S33 PolarHBondContact OD1-OG 3.09Å; D29-S33 PolarHBondContact OD2-N 3.02Å; D29-S33 PolarHBondContact OD2-OG 3.05Å; D29-H34 WeakPolarHBondContact OD1-CB 3.48Å; D29-H34 IonicContact OD1-CG 3.53Å; D29-H34 PolarHBondContact OD1-N 3.32Å; D29-H34 IonicContact OD1-ND1 2.94Å; D29-H34 PolarHBondContact OD1-ND1 3.1Å
30	S	97.3	Very high	97.2	Very high	73 Å²	73	46.4 Å²	46.4	51%	0.51	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.1	-176	61.3	0	0	0	0	113.8
31	E	96.3	Very high	97.5	Very high	150 Å²	150	42.7 Å²	42.7	70%	0.701	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4	-179.7	-54.6	-49.2	121.2	0	0	112.3	D29 S33	D29-E31 PolarHBondContact O-N 2.95Å; D29-E31 WeakPolarHBondContact OD2-CA 3.19Å; D29-E31 WeakPolarHBondContact OD2-CB 3.28Å; D29-E31 PolarHBondContact OD2-N 2.94Å; D29-E31 VanDerWaalsContact OD2-N 3.07Å; E31-S33 PolarHBondContact O-N 2.82Å
32	C	96.8	Very high	97.7	Very high	16 Å²	16	45.2 Å²	45.2	11%	0.108	24%	0.236	C	C	.	.			trans	52.5	35.2	-172.4	-47.5	0	0	0	0	112.5	K25 C27 D29	K25-C32 WeakPolarHBondContact CE-SG 3.13Å; K25-C32 PolarHBondContact NZ-SG 3.21Å; K25-C32 VanDerWaalsContact NZ-SG 3.44Å; C27-C32 HydrophobicContact CB-CB 3.73Å; C27-C32 WeakPolarHBondContact CB-SG 3.46Å; C27-C32 WeakPolarHBondContact SG-CB 3.26Å; C27-C32 CovalentContact SG-SG 2.03Å; C27-C32 PolarHBondContact SG-SG 2.83Å; D29-C32 PolarHBondContact O-N 2.9Å; D29-C32 VanDerWaalsContact O-N 3.13Å; D29-C32 PolarHBondContact OD2-N 2.88Å; D29-C32 VanDerWaalsContact OD2-N 3.07Å
33	S	95.2	Very high	97.8	Very high	68 Å²	68	49.9 Å²	49.9	48%	0.476	26%	0.258	S	S	.	.			trans	-85.1	-24.4	-175	58	0	0	0	0	113	D29 E31 Y64	D29-S33 VanDerWaalsContact CG-OG 3.23Å; D29-S33 PolarHBondContact OD1-N 3.1Å; D29-S33 VanDerWaalsContact OD1-N 3.15Å; D29-S33 PolarHBondContact OD1-OG 3.09Å; D29-S33 PolarHBondContact OD2-N 3.02Å; D29-S33 PolarHBondContact OD2-OG 3.05Å; E31-S33 PolarHBondContact O-N 2.82Å; S33-Y64 WeakPolarHBondContact O-CE1 3.37Å
34	H	96.2	Very high	97.8	Very high	94 Å²	94	48 Å²	48	44%	0.435	25%	0.248	S	C	.	.	S	Bend	trans	-101.1	140.6	177.5	-60.1	78.1	0	0	0	111.4	A28 D29 M106	A28-H34 HydrophobicContact CB-CB 4.03Å; A28-H34 WeakPolarHBondContact CB-O 3.4Å; D29-H34 WeakPolarHBondContact OD1-CB 3.48Å; D29-H34 IonicContact OD1-CG 3.53Å; D29-H34 PolarHBondContact OD1-N 3.32Å; D29-H34 IonicContact OD1-ND1 2.94Å; D29-H34 PolarHBondContact OD1-ND1 3.1Å; H34-M106 HydrophobicContact CB-SD 3.39Å; H34-M106 WeakPolarHBondContact CB-SD 3.43Å
35	P	97.5	Very high	97.8	Very high	28 Å²	28	46.4 Å²	46.4	18%	0.182	24%	0.24	C	C	.	.			trans	-70.7	140.3	174.1	31.3	-35.6	0	0	0	110.8	Y62 V63 Y64 L105	P35-Y62 HydrophobicContact CB-CD1 4.26Å; P35-Y62 HydrophobicContact CG-CD1 4.39Å; P35-V63 CarbonylContact C-O 3.49Å; P35-V63 WeakPolarHBondContact CA-O 3.42Å; P35-Y64 HydrophobicContact CB-CD1 4.32Å; P35-Y64 HydrophobicContact CB-CE1 4.04Å; P35-Y64 HydrophobicContact CB-CE2 4.3Å; P35-Y64 HydrophobicContact CG-CE1 4.39Å; P35-L105 HydrophobicContact CB-CD1 3.88Å; P35-L105 HydrophobicContact CG-CD1 3.54Å
36	I	98.6	Very high	97.8	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.036	27%	0.267	C	S	.	.	S	Bend	trans	-74	-48.9	173.1	-63.8	162.9	0	0	0	109.8	A28 V63 Y64 M66 L105 M106 A108	A28-I36 HydrophobicContact CB-CG1 4.26Å; I36-V63 PolarHBondContact N-O 3.37Å; I36-Y64 WeakPolarHBondContact CD1-O 3.38Å; I36-M66 HydrophobicContact CD1-CG 4.19Å; I36-M66 HydrophobicContact CG2-CE 3.98Å; I36-L105 WeakPolarHBondContact O-CA 3.08Å; I36-L105 PolarHBondContact O-N 3.39Å; I36-M106 CarbonylContact C-O 3.57Å; I36-M106 WeakPolarHBondContact CA-O 3.5Å; I36-M106 WeakPolarHBondContact CG2-O 3.28Å; I36-M106 PolarHBondContact O-N 3.25Å; I36-A108 HydrophobicContact CD1-CB 3.75Å; I36-A108 HydrophobicContact CG1-CB 4.06Å; I36-A108 HydrophobicContact CG2-CB 3.8Å
37	L	98.4	Very high	97.6	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	166.1	-174.5	63.3	83.6	0	0	0	112.1	A39 V63 M66 E101 H103	L37-A39 HydrophobicContact CD1-CB 3.75Å; L37-V63 HydrophobicContact CD1-CB 3.91Å; L37-V63 HydrophobicContact CD1-CG2 3.49Å; L37-V63 VanDerWaalsContact CD1-CG2 3.49Å; L37-V63 HydrophobicContact CG-CB 4.03Å; L37-V63 HydrophobicContact CG-CG2 4.18Å; L37-V63 PolarHBondContact O-N 3.35Å; L37-M66 HydrophobicContact CD2-CE 3.61Å; L37-M66 HydrophobicContact CG-CE 4.46Å; L37-E101 HydrophobicContact CD1-CG 4.22Å; L37-E101 HydrophobicContact CD2-CB 4.31Å; L37-E101 HydrophobicContact CD2-CG 3.69Å; L37-E101 WeakPolarHBondContact CD2-OE2 3Å; L37-H103 CarbonylContact C-O 3.45Å; L37-H103 WeakPolarHBondContact CA-O 3.05Å; L37-H103 VanDerWaalsContact CB-O 3.28Å; L37-H103 WeakPolarHBondContact CB-O 3.23Å
38	I	98.1	Very high	97.3	Very high	27 Å²	27	57.4 Å²	57.4	14%	0.138	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.6	164.1	-58.6	163.8	0	0	0	108	L60 V61 Y62 T102 H103 L105	I38-L60 HydrophobicContact CG2-CB 4.23Å; I38-L60 HydrophobicContact CG2-CD2 4.18Å; I38-V61 WeakPolarHBondContact CA-O 3.35Å; I38-Y62 HydrophobicContact CD1-CE1 3.87Å; I38-Y62 HydrophobicContact CG1-CD1 3.87Å; I38-Y62 HydrophobicContact CG1-CE1 3.68Å; I38-T102 PolarHBondContact O-N 3.3Å; I38-T102 PolarHBondContact O-OG1 3.48Å; I38-H103 HydrophobicContact CB-CB 4.3Å; I38-H103 HydrophobicContact CD1-CB 4.39Å; I38-H103 PolarHBondContact N-O 3.21Å; I38-H103 PolarHBondContact O-N 3.06Å; I38-H103 VanDerWaalsContact O-N 3.15Å; I38-L105 HydrophobicContact CD1-CD1 4.38Å; I38-L105 HydrophobicContact CD1-CD2 4.46Å; I38-L105 HydrophobicContact CG1-CD1 4Å
39	A	98.4	Very high	97	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	153.6	173.8	0	0	0	0	0	110.8	L37 L60 V61 V63 V99 E100	L37-A39 HydrophobicContact CD1-CB 3.75Å; A39-L60 CarbonylContact O-C 3.48Å; A39-L60 WeakPolarHBondContact O-CA 3.34Å; A39-V61 PolarHBondContact N-O 3.12Å; A39-V61 PolarHBondContact O-N 2.6Å; A39-V63 HydrophobicContact CB-CG2 4.09Å; A39-V99 HydrophobicContact CB-CB 3.8Å; A39-V99 HydrophobicContact CB-CG1 4.43Å; A39-V99 HydrophobicContact CB-CG2 3.69Å; A39-E100 CarbonylContact C-O 3.55Å; A39-E100 WeakPolarHBondContact CA-O 3.39Å; A39-E100 VanDerWaalsContact CB-O 3.32Å; A39-E100 WeakPolarHBondContact CB-O 3.49Å
40	R	98.3	Very high	96.7	Very high	103 Å²	103	60.7 Å²	60.7	39%	0.389	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.1	173.7	176.1	175.4	-73.4	-86.9	-1	109.5	L42 G58 Q59 L60 V99 E100 T102	R40-L42 PolarHBondContact O-N 2.91Å; R40-G58 PolarHBondContact NH1-O 2.68Å; R40-Q59 WeakPolarHBondContact CA-O 3.29Å; R40-L60 HydrophobicContact CB-CD2 4.15Å; R40-V99 CarbonylContact O-C 3.48Å; R40-V99 WeakPolarHBondContact O-CA 3.21Å; R40-V99 WeakPolarHBondContact O-CB 3.43Å; R40-E100 HydrophobicContact CB-CG 4.05Å; R40-E100 PolarHBondContact N-O 2.68Å; R40-E100 PolarHBondContact O-N 2.85Å; R40-T102 HydrophobicContact CB-CG2 3.64Å
41	A	98.3	Very high	96.6	Very high	3 Å²	3	58.7 Å²	58.7	3%	0.025	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	126.7	176.9	0	0	0	0	0	111.9	I55 Q56 G58 Q59	A41-I55 HydrophobicContact CB-CG2 3.28Å; A41-Q56 WeakPolarHBondContact CB-O 3.34Å; A41-G58 PolarHBondContact O-N 3.46Å; A41-Q59 PolarHBondContact N-O 2.95Å
42	L	98.6	Very high	96.5	Very high	80 Å²	80	52.2 Å²	52.2	42%	0.419	28%	0.281	S	S	.	.	S	Bend	trans	-85.3	-28.1	177.4	-65.2	176.2	0	0	0	112.3	R40 Q57 V98 E100	R40-L42 PolarHBondContact O-N 2.91Å; L42-Q57 WeakPolarHBondContact O-CG 3.42Å; L42-V98 PolarHBondContact N-O 2.79Å; L42-E100 HydrophobicContact CD1-CB 4.26Å; L42-E100 HydrophobicContact CD2-CB 3.98Å; L42-E100 HydrophobicContact CD2-CG 3.72Å; L42-E100 HydrophobicContact CG-CB 4.21Å; L42-E100 HydrophobicContact CG-CG 4.27Å
43	Q	97.9	Very high	96.5	Very high	106 Å²	106	51.7 Å²	51.7	50%	0.495	28%	0.277	S	S	.	.	S	Bend	trans	-153.3	167.2	-176.6	60.8	177.9	50.9	0	0	110.4	V98	Q43-V98 HydrophobicContact CG-CB 4.09Å; Q43-V98 HydrophobicContact CG-CG1 4.33Å
44	D	98	Very high	96.5	Very high	70 Å²	70	51.8 Å²	51.8	37%	0.374	28%	0.277	S	S	.	.			trans	-68.8	144.6	171.2	-62.9	-19.2	0	0	0	111.2	Y46 I55 Q56 Q57	D44-Y46 HydrophobicContact CB-CE2 3.8Å; D44-Y46 PolarHBondContact OD2-OH 2.91Å; D44-I55 CarbonylContact C-O 3.54Å; D44-I55 WeakPolarHBondContact CA-O 3.28Å; D44-Q56 VanDerWaalsContact OD1-CA 3.26Å; D44-Q56 WeakPolarHBondContact OD1-CA 3.45Å; D44-Q57 PolarHBondContact OD1-N 3.02Å
45	Y	98.1	Very high	96.5	Very high	39 Å²	39	47.4 Å²	47.4	15%	0.153	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-134.5	117.4	172.2	172.6	-112.7	0	0	0	109.8	P47 F52 I53 P54 I55 F94 P95	Y45-P47 HydrophobicContact CE1-CB 4.29Å; Y45-F52 HydrophobicContact CE1-CB 4.02Å; Y45-F52 HydrophobicContact CE1-CD1 4.39Å; Y45-F52 VanDerWaalsContact OH-CD1 3.24Å; Y45-F52 WeakPolarHBondContact OH-CD1 3.31Å; Y45-F52 WeakPolarHBondContact OH-CG 3.46Å; Y45-I53 WeakPolarHBondContact CD1-O 3.39Å; Y45-P54 WeakPolarHBondContact O-CA 3.39Å; Y45-I55 PolarHBondContact N-O 3.05Å; Y45-I55 PolarHBondContact O-N 2.79Å; Y45-I55 VanDerWaalsContact O-N 3.1Å; Y45-F94 HydrophobicContact CD1-CB 4.17Å; Y45-F94 HydrophobicContact CE1-CB 4.16Å; Y45-P95 HydrophobicContact CD2-CG 4.15Å; Y45-P95 HydrophobicContact CE2-CG 3.8Å
46	Y	96.9	Very high	96.5	Very high	170 Å²	170	51.5 Å²	51.5	67%	0.667	27%	0.273	S	S	*	.			trans	-104.7	114.3	178.2	-61.2	-75.7	0	0	0	109.8	D44	D44-Y46 HydrophobicContact CB-CE2 3.8Å; D44-Y46 PolarHBondContact OD2-OH 2.91Å
47	P	95.7	Very high	96.5	Very high	44 Å²	44	57.6 Å²	57.6	29%	0.286	30%	0.302	S	S	.	.			trans	-73.4	139.1	-173.1	29.1	-36	0	0	0	112.1	Y45 F52 P54	Y45-P47 HydrophobicContact CE1-CB 4.29Å; P47-F52 HydrophobicContact CB-CB 3.4Å; P47-F52 VanDerWaalsContact CB-CB 3.4Å; P47-P54 HydrophobicContact CG-CB 4.37Å
48	G	91.4	Very high	96.4	Very high	83 Å²	83	58.9 Å²	58.9	86%	0.856	32%	0.315	S	S	*	.	S	Bend	trans	-85.2	-16.2	175.3	0	0	0	0	0	114.4
49	D	92.2	Very high	96.3	Very high	45 Å²	45	60.3 Å²	60.3	24%	0.241	32%	0.322	C	S	.	.	S	Bend	trans	-145.6	166.6	172.6	74.7	59.4	0	0	0	111.8	M18 R51 F52	M18-D49 HydrophobicContact SD-CB 4.28Å; D49-R51 VanDerWaalsContact C-N 3.25Å; D49-R51 PolarHBondContact O-N 2.8Å; D49-R51 WeakPolarHBondContact OD1-CB 3.47Å; D49-R51 WeakPolarHBondContact OD1-CG 3.41Å; D49-R51 IonicContact OD1-CZ 3.85Å; D49-R51 PolarHBondContact OD1-N 3Å; D49-R51 IonicContact OD1-NE 2.97Å; D49-R51 PolarHBondContact OD1-NE 3.06Å; D49-R51 IonicContact OD1-NH2 3.85Å; D49-R51 IonicContact OD2-CZ 3.41Å; D49-R51 IonicContact OD2-NE 3.3Å; D49-R51 PolarHBondContact OD2-NE 3.01Å; D49-R51 IonicContact OD2-NH2 2.7Å; D49-R51 PolarHBondContact OD2-NH2 3.47Å; D49-F52 PolarHBondContact O-N 3.32Å; D49-F52 VanDerWaalsContact OD1-CD2 3.28Å; D49-F52 WeakPolarHBondContact OD1-CD2 3.47Å; D49-F52 WeakPolarHBondContact OD2-CE2 3.32Å
50	C	92.3	Very high	96.2	Very high	63 Å²	63	62.3 Å²	62.3	43%	0.426	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.9	-171.4	47.8	0	0	0	0	115.4	F52 R90 C121	C50-F52 PolarHBondContact O-N 3.19Å; C50-R90 PolarHBondContact O-NH1 2.86Å; C50-C121 VanDerWaalsContact C-SG 3.51Å; C50-C121 HydrophobicContact CB-CB 3.61Å; C50-C121 WeakPolarHBondContact CB-SG 3.34Å; C50-C121 WeakPolarHBondContact SG-CB 3.33Å; C50-C121 CovalentContact SG-SG 2Å; C50-C121 PolarHBondContact SG-SG 3.37Å
51	R	94.5	Very high	96.1	Very high	32 Å²	32	57.4 Å²	57.4	12%	0.121	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.6	176.6	-61.2	173.6	-67.1	175.1	2.4	111.6	M18 P19 D49 G92 H93 F119	M18-R51 HydrophobicContact CE-CG 3.49Å; M18-R51 VanDerWaalsContact CE-CG 3.49Å; M18-R51 HydrophobicContact SD-CG 4.48Å; P19-R51 PolarHBondContact O-NH1 3.47Å; D49-R51 VanDerWaalsContact C-N 3.25Å; D49-R51 PolarHBondContact O-N 2.8Å; D49-R51 WeakPolarHBondContact OD1-CB 3.47Å; D49-R51 WeakPolarHBondContact OD1-CG 3.41Å; D49-R51 IonicContact OD1-CZ 3.85Å; D49-R51 PolarHBondContact OD1-N 3Å; D49-R51 IonicContact OD1-NE 2.97Å; D49-R51 PolarHBondContact OD1-NE 3.06Å; D49-R51 IonicContact OD1-NH2 3.85Å; D49-R51 IonicContact OD2-CZ 3.41Å; D49-R51 IonicContact OD2-NE 3.3Å; D49-R51 PolarHBondContact OD2-NE 3.01Å; D49-R51 IonicContact OD2-NH2 2.7Å; D49-R51 PolarHBondContact OD2-NH2 3.47Å; R51-G92 WeakPolarHBondContact O-CA 3.32Å; R51-H93 PolarHBondContact O-CD2 2.83Å; R51-H93 PolarHBondContact O-N 2.94Å; R51-F119 WeakPolarHBondContact CG-O 3.32Å
52	F	96.1	Very high	96.1	Very high	13 Å²	13	60.5 Å²	60.5	6%	0.057	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-98.6	151.4	-175.1	-61	-85.6	0	0	0	111.4	L21 Y45 P47 D49 C50 F74 R90 H93	L21-F52 HydrophobicContact CD1-CE1 4.11Å; L21-F52 HydrophobicContact CD1-CZ 3.82Å; L21-F52 HydrophobicContact CD2-CZ 4.14Å; Y45-F52 HydrophobicContact CE1-CB 4.02Å; Y45-F52 HydrophobicContact CE1-CD1 4.39Å; Y45-F52 VanDerWaalsContact OH-CD1 3.24Å; Y45-F52 WeakPolarHBondContact OH-CD1 3.31Å; Y45-F52 WeakPolarHBondContact OH-CG 3.46Å; P47-F52 HydrophobicContact CB-CB 3.4Å; P47-F52 VanDerWaalsContact CB-CB 3.4Å; D49-F52 PolarHBondContact O-N 3.32Å; D49-F52 VanDerWaalsContact OD1-CD2 3.28Å; D49-F52 WeakPolarHBondContact OD1-CD2 3.47Å; D49-F52 WeakPolarHBondContact OD2-CE2 3.32Å; C50-F52 PolarHBondContact O-N 3.19Å; F52-F74 HydrophobicContact CD1-CD1 4.36Å; F52-F74 HydrophobicContact CD1-CE1 4.38Å; F52-F74 AromaticContact CE1-CD1 3.5Å; F52-F74 HydrophobicContact CE1-CD1 3.5Å; F52-F74 AromaticContact CE1-CE1 3.43Å; F52-F74 HydrophobicContact CE1-CE1 3.43Å; F52-F74 VanDerWaalsContact CE1-CE1 3.43Å; F52-F74 HydrophobicContact CE1-CG 4.25Å; F52-F74 HydrophobicContact CE1-CZ 4.15Å; F52-F74 HydrophobicContact CZ-CD1 4.34Å; F52-F74 AromaticContact CZ-CE1 3.98Å; F52-F74 HydrophobicContact CZ-CE1 3.98Å; F52-F74 HydrophobicContact CZ-CZ 4.26Å; F52-R90 PolarHBondContact O-NH2 2.88Å; F52-H93 CarbonylContact C-O 3.51Å; F52-H93 WeakPolarHBondContact CA-O 3.35Å; F52-H93 WeakPolarHBondContact CB-O 3.4Å; F52-H93 HydrophobicContact CD1-CB 3.63Å; F52-H93 WeakPolarHBondContact CD1-O 3.22Å; F52-H93 HydrophobicContact CE1-CB 3.77Å; F52-H93 HydrophobicContact CG-CB 4.42Å
53	I	95.6	Very high	96.1	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-101.5	140.7	175.2	51.5	172	0	0	0	111.3	Y45 I55 G77 V79 H93 F94	Y45-I53 WeakPolarHBondContact CD1-O 3.39Å; I53-I55 HydrophobicContact CD1-CG1 4.48Å; I53-I55 HydrophobicContact CG1-CD1 4.48Å; I53-I55 HydrophobicContact CG1-CG1 4.36Å; I53-G77 WeakPolarHBondContact CD1-O 3.38Å; I53-V79 HydrophobicContact CD1-CG2 4.23Å; I53-H93 PolarHBondContact N-O 3.19Å; I53-F94 HydrophobicContact CD1-CD1 3.98Å; I53-F94 HydrophobicContact CD1-CE1 4.49Å; I53-F94 HydrophobicContact CG1-CD1 4.13Å
54	P	95.7	Very high	96.1	Very high	71 Å²	71	54.4 Å²	54.4	46%	0.461	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-67.4	139	168.3	30.7	-33.2	0	0	0	109.5	Y45 P47	Y45-P54 WeakPolarHBondContact O-CA 3.39Å; P47-P54 HydrophobicContact CG-CB 4.37Å
55	I	96.4	Very high	96.1	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-130.5	135.2	176	-66	172.8	0	0	0	107.3	A41 D44 Y45 I53 V61 V79 F94 V98	A41-I55 HydrophobicContact CB-CG2 3.28Å; D44-I55 CarbonylContact C-O 3.54Å; D44-I55 WeakPolarHBondContact CA-O 3.28Å; Y45-I55 PolarHBondContact N-O 3.05Å; Y45-I55 PolarHBondContact O-N 2.79Å; Y45-I55 VanDerWaalsContact O-N 3.1Å; I53-I55 HydrophobicContact CD1-CG1 4.48Å; I53-I55 HydrophobicContact CG1-CD1 4.48Å; I53-I55 HydrophobicContact CG1-CG1 4.36Å; I55-V61 HydrophobicContact CD1-CG2 4.15Å; I55-V61 HydrophobicContact CG1-CG2 4.44Å; I55-V61 HydrophobicContact CG2-CG2 4.48Å; I55-V79 HydrophobicContact CG1-CG2 4.03Å; I55-F94 HydrophobicContact CD1-CB 3.48Å; I55-F94 VanDerWaalsContact CD1-CB 3.48Å; I55-F94 HydrophobicContact CD1-CD1 3.88Å; I55-F94 HydrophobicContact CD1-CD2 3.71Å; I55-F94 HydrophobicContact CD1-CE2 4.44Å; I55-F94 HydrophobicContact CD1-CG 3.4Å; I55-V98 HydrophobicContact CD1-CG2 4.27Å
56	Q	97.1	Very high	96.2	Very high	114 Å²	114	50.8 Å²	50.8	53%	0.533	28%	0.276	S	S	.	.			trans	-107.6	146.4	172.8	-63.4	176.8	-14.5	0	0	110.1	A41 D44 G58 Q59	A41-Q56 WeakPolarHBondContact CB-O 3.34Å; D44-Q56 VanDerWaalsContact OD1-CA 3.26Å; D44-Q56 WeakPolarHBondContact OD1-CA 3.45Å; Q56-G58 PolarHBondContact O-N 2.72Å; Q56-Q59 HydrophobicContact CB-CG 4.03Å; Q56-Q59 VanDerWaalsContact O-CB 3.28Å; Q56-Q59 WeakPolarHBondContact O-CB 3.28Å; Q56-Q59 WeakPolarHBondContact O-CG 3.22Å; Q56-Q59 PolarHBondContact O-N 2.94Å; Q56-Q59 VanDerWaalsContact O-N 3.08Å
57	Q	97.9	Very high	96.2	Very high	136 Å²	136	43.1 Å²	43.1	64%	0.636	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	134	177.7	-176.8	174.2	-6.6	0	0	111.4	L42 D44 Q59	L42-Q57 WeakPolarHBondContact O-CG 3.42Å; D44-Q57 PolarHBondContact OD1-N 3.02Å; Q57-Q59 VanDerWaalsContact C-N 3.29Å; Q57-Q59 PolarHBondContact O-N 3.05Å
58	G	96.6	Very high	96.3	Very high	31 Å²	31	44 Å²	44	32%	0.32	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-10.8	-179.8	0	0	0	0	0	115.6	R40 A41 Q56	R40-G58 PolarHBondContact NH1-O 2.68Å; A41-G58 PolarHBondContact O-N 3.46Å; Q56-G58 PolarHBondContact O-N 2.72Å
59	Q	96.1	Very high	96.5	Very high	57 Å²	57	44.6 Å²	44.6	27%	0.266	23%	0.229	S	C	.	.			trans	-65	147.9	174.1	-71.2	-174.4	-43.1	0	0	111.7	R40 A41 Q56 Q57 V79	R40-Q59 WeakPolarHBondContact CA-O 3.29Å; A41-Q59 PolarHBondContact N-O 2.95Å; Q56-Q59 HydrophobicContact CB-CG 4.03Å; Q56-Q59 VanDerWaalsContact O-CB 3.28Å; Q56-Q59 WeakPolarHBondContact O-CB 3.28Å; Q56-Q59 WeakPolarHBondContact O-CG 3.22Å; Q56-Q59 PolarHBondContact O-N 2.94Å; Q56-Q59 VanDerWaalsContact O-N 3.08Å; Q57-Q59 VanDerWaalsContact C-N 3.29Å; Q57-Q59 PolarHBondContact O-N 3.05Å; Q59-V79 HydrophobicContact CB-CG1 4.11Å; Q59-V79 HydrophobicContact CG-CG1 4.27Å
60	L	96.5	Very high	96.4	Very high	42 Å²	42	54 Å²	54	22%	0.22	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	137.5	171.4	-62.4	-177.7	0	0	0	109.9	I38 A39 R40 Q80	I38-L60 HydrophobicContact CG2-CB 4.23Å; I38-L60 HydrophobicContact CG2-CD2 4.18Å; A39-L60 CarbonylContact O-C 3.48Å; A39-L60 WeakPolarHBondContact O-CA 3.34Å; R40-L60 HydrophobicContact CB-CD2 4.15Å; L60-Q80 HydrophobicContact CB-CB 4.09Å; L60-Q80 PolarHBondContact O-N 2.83Å
61	V	97.4	Very high	96.5	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.1	-179.9	-173.4	0	0	0	0	108.8	I38 A39 I55 S78 V79 F94 V99	I38-V61 WeakPolarHBondContact CA-O 3.35Å; A39-V61 PolarHBondContact N-O 3.12Å; A39-V61 PolarHBondContact O-N 2.6Å; I55-V61 HydrophobicContact CD1-CG2 4.15Å; I55-V61 HydrophobicContact CG1-CG2 4.44Å; I55-V61 HydrophobicContact CG2-CG2 4.48Å; V61-S78 WeakPolarHBondContact CA-O 3.48Å; V61-V79 HydrophobicContact CG2-CG2 4.29Å; V61-F94 HydrophobicContact CG1-CD1 4.46Å; V61-F94 HydrophobicContact CG1-CE1 3.62Å; V61-F94 HydrophobicContact CG1-CZ 3.69Å; V61-V99 HydrophobicContact CG2-CG1 4.4Å
62	Y	97.6	Very high	96.6	Very high	69 Å²	69	54 Å²	54	27%	0.271	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.6	169.7	-71	-95.6	0	0	0	108.7	P35 I38 Y64 G77 S78 Q80 L105	P35-Y62 HydrophobicContact CB-CD1 4.26Å; P35-Y62 HydrophobicContact CG-CD1 4.39Å; I38-Y62 HydrophobicContact CD1-CE1 3.87Å; I38-Y62 HydrophobicContact CG1-CD1 3.87Å; I38-Y62 HydrophobicContact CG1-CE1 3.68Å; Y62-Y64 WeakPolarHBondContact O-CD2 3.31Å; Y62-G77 CarbonylContact O-C 3.44Å; Y62-G77 WeakPolarHBondContact O-CA 3.36Å; Y62-S78 PolarHBondContact N-O 2.87Å; Y62-S78 PolarHBondContact O-N 3.22Å; Y62-Q80 HydrophobicContact CD2-CB 4.4Å; Y62-Q80 HydrophobicContact CE2-CB 3.96Å; Y62-Q80 HydrophobicContact CE2-CG 4.09Å; Y62-Q80 PolarHBondContact OH-NE2 3.13Å; Y62-Q80 VanDerWaalsContact OH-NE2 3.1Å; Y62-L105 HydrophobicContact CD1-CD1 4.37Å
63	V	98.4	Very high	96.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.9	-176.5	-176	0	0	0	0	109.2	P35 I36 L37 A39 M66 W75 F94	P35-V63 CarbonylContact C-O 3.49Å; P35-V63 WeakPolarHBondContact CA-O 3.42Å; I36-V63 PolarHBondContact N-O 3.37Å; L37-V63 HydrophobicContact CD1-CB 3.91Å; L37-V63 HydrophobicContact CD1-CG2 3.49Å; L37-V63 VanDerWaalsContact CD1-CG2 3.49Å; L37-V63 HydrophobicContact CG-CB 4.03Å; L37-V63 HydrophobicContact CG-CG2 4.18Å; L37-V63 PolarHBondContact O-N 3.35Å; A39-V63 HydrophobicContact CB-CG2 4.09Å; V63-M66 HydrophobicContact CG1-CG 4.48Å; V63-W75 HydrophobicContact CG1-CB 4.09Å; V63-W75 HydrophobicContact CG1-CD2 4.28Å; V63-W75 HydrophobicContact CG1-CE3 4.02Å; V63-W75 HydrophobicContact CG1-CG 4.37Å; V63-W75 HydrophobicContact CG2-CE3 4.06Å; V63-W75 HydrophobicContact CG2-CZ3 4.49Å; V63-F94 HydrophobicContact CG2-CZ 4.03Å
64	Y	98.3	Very high	96.8	Very high	58 Å²	58	60.7 Å²	60.7	23%	0.227	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-28.2	-177.2	-73.9	-96	0	0	0	112.9	S33 P35 I36 Y62 A76	S33-Y64 WeakPolarHBondContact O-CE1 3.37Å; P35-Y64 HydrophobicContact CB-CD1 4.32Å; P35-Y64 HydrophobicContact CB-CE1 4.04Å; P35-Y64 HydrophobicContact CB-CE2 4.3Å; P35-Y64 HydrophobicContact CG-CE1 4.39Å; I36-Y64 WeakPolarHBondContact CD1-O 3.38Å; Y62-Y64 WeakPolarHBondContact O-CD2 3.31Å; Y64-A76 PolarHBondContact N-O 3.08Å
65	A	98.4	Very high	96.9	Very high	4 Å²	4	58.7 Å²	58.7	3%	0.033	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	146	178.2	0	0	0	0	0	112.6	K25 L26 W75 A76	K25-A65 HydrophobicContact CB-CB 4.25Å; K25-A65 HydrophobicContact CD-CB 3.98Å; L26-A65 CarbonylContact O-C 3.52Å; L26-A65 VanDerWaalsContact O-CA 3.22Å; L26-A65 WeakPolarHBondContact O-CA 3.19Å; A65-W75 CarbonylContact O-C 3.55Å; A65-W75 WeakPolarHBondContact O-CA 3.18Å; A65-A76 HydrophobicContact CB-CB 4.2Å; A65-A76 PolarHBondContact N-O 2.73Å; A65-A76 PolarHBondContact O-N 2.92Å
66	M	98.6	Very high	97	Very high	29 Å²	29	59 Å²	59	14%	0.143	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.5	171.8	-58.7	175.5	173	0	0	108.2	K25 L26 I36 L37 V63 W75 A108	K25-M66 CarbonylContact C-O 3.59Å; K25-M66 VanDerWaalsContact CA-O 3.31Å; K25-M66 WeakPolarHBondContact CA-O 3.35Å; L26-M66 HydrophobicContact CB-CB 4.44Å; L26-M66 PolarHBondContact N-O 2.86Å; L26-M66 PolarHBondContact O-N 2.93Å; I36-M66 HydrophobicContact CD1-CG 4.19Å; I36-M66 HydrophobicContact CG2-CE 3.98Å; L37-M66 HydrophobicContact CD2-CE 3.61Å; L37-M66 HydrophobicContact CG-CE 4.46Å; V63-M66 HydrophobicContact CG1-CG 4.48Å; M66-W75 HydrophobicContact CB-CG 4.41Å; M66-W75 HydrophobicContact CE-CD2 4.43Å; M66-W75 HydrophobicContact CE-CH2 4.2Å; M66-W75 HydrophobicContact CE-CZ2 3.92Å; M66-W75 HydrophobicContact CG-CD2 4.18Å; M66-W75 HydrophobicContact CG-CG 3.99Å; M66-W75 HydrophobicContact SD-CZ2 4.35Å; M66-A108 HydrophobicContact SD-CB 4.21Å
67	L	98.4	Very high	97	Very high	9 Å²	9	53.6 Å²	53.6	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	154.6	-179.9	-60.8	-169.4	0	0	0	110.5	L21 K25 G71 N72 F74 T114 F119	L21-L67 HydrophobicContact CB-CD1 3.67Å; L21-L67 HydrophobicContact CD1-CD1 4.23Å; K25-L67 HydrophobicContact CB-CD2 3.92Å; L67-G71 VanDerWaalsContact CB-O 3.28Å; L67-G71 WeakPolarHBondContact CB-O 3.12Å; L67-N72 WeakPolarHBondContact O-CA 3.41Å; L67-F74 VanDerWaalsContact CB-O 3.32Å; L67-F74 WeakPolarHBondContact CB-O 3.4Å; L67-F74 HydrophobicContact CD1-CB 4.06Å; L67-F74 WeakPolarHBondContact CG-O 3.24Å; L67-F74 PolarHBondContact N-O 3.38Å; L67-T114 HydrophobicContact CD2-CG2 4.38Å; L67-F119 HydrophobicContact CD1-CE1 4.14Å
68	K	97.3	Very high	96.9	Very high	63 Å²	63	47.6 Å²	47.6	27%	0.274	23%	0.227	S	C	.	.			trans	-110.1	178.9	176.9	-61.6	-166.8	72.5	169.1	0	111.9	S22 K24 L26 R70 G71 E111	S22-K68 WeakPolarHBondContact CB-O 3.35Å; S22-K68 PolarHBondContact OG-O 3.24Å; K24-K68 HydrophobicContact CB-CB 4.05Å; K24-K68 HydrophobicContact CB-CD 4.36Å; K24-K68 HydrophobicContact CB-CG 4.43Å; K24-K68 PolarHBondContact O-N 3.01Å; L26-K68 HydrophobicContact CD1-CD 4.48Å; L26-K68 HydrophobicContact CD2-CD 4.13Å; L26-K68 HydrophobicContact CG-CD 3.93Å; L26-K68 HydrophobicContact CG-CG 4.15Å; K68-R70 PolarHBondContact O-N 3.3Å; K68-G71 PolarHBondContact O-N 2.95Å; K68-E111 HydrophobicContact CD-CG 4.3Å; K68-E111 VanDerWaalsContact CD-OE2 3.31Å; K68-E111 WeakPolarHBondContact CD-OE2 3.36Å; K68-E111 WeakPolarHBondContact CE-OE2 3.43Å; K68-E111 IonicContact NZ-OE2 2.68Å; K68-E111 PolarHBondContact NZ-OE2 2.81Å
69	D	94.9	Very high	96.8	Very high	94 Å²	94	47.6 Å²	47.6	50%	0.503	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	54.8	-128.3	171.6	-50.3	-35	0	0	0	111.8	G71 N72	D69-G71 PolarHBondContact O-N 2.86Å; D69-G71 VanDerWaalsContact O-N 3.09Å; D69-N72 WeakPolarHBondContact O-CB 3.42Å; D69-N72 VanDerWaalsContact O-CG 3.3Å; D69-N72 PolarHBondContact O-N 2.7Å; D69-N72 VanDerWaalsContact O-N 3.12Å; D69-N72 PolarHBondContact O-OD1 2.84Å
70	R	90.9	Very high	96.4	Very high	242 Å²	242	48.8 Å²	48.8	91%	0.913	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-61.5	-18.9	-179.5	-56.9	-171.9	-159.9	-178.5	4.8	114	K68	K68-R70 PolarHBondContact O-N 3.3Å
71	G	93.9	Very high	95.4	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.01	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-100.4	6	-180	0	0	0	0	0	113.9	L21 L67 K68 D69 L73 F74	L21-G71 WeakPolarHBondContact O-CA 3.33Å; L21-G71 PolarHBondContact O-N 2.97Å; L67-G71 VanDerWaalsContact CB-O 3.28Å; L67-G71 WeakPolarHBondContact CB-O 3.12Å; K68-G71 PolarHBondContact O-N 2.95Å; D69-G71 PolarHBondContact O-N 2.86Å; D69-G71 VanDerWaalsContact O-N 3.09Å; G71-L73 PolarHBondContact O-N 2.7Å; G71-F74 PolarHBondContact O-N 2.81Å
72	N	96.7	Very high	93.9	Very high	95 Å²	95	57.4 Å²	57.4	51%	0.508	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.1	-172	70.9	-28.2	0	0	0	116.1	L67 D69 F74	L67-N72 WeakPolarHBondContact O-CA 3.41Å; D69-N72 WeakPolarHBondContact O-CB 3.42Å; D69-N72 VanDerWaalsContact O-CG 3.3Å; D69-N72 PolarHBondContact O-N 2.7Å; D69-N72 VanDerWaalsContact O-N 3.12Å; D69-N72 PolarHBondContact O-OD1 2.84Å; N72-F74 VanDerWaalsContact C-N 3.28Å
73	L	97.5	Very high	92	Very high	111 Å²	111	63.3 Å²	63.3	58%	0.581	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.7	172.8	-59.4	176.4	0	0	0	113.2	G71 P95 S96	G71-L73 PolarHBondContact O-N 2.7Å; L73-P95 CarbonylContact O-C 3.49Å; L73-P95 VanDerWaalsContact O-CA 3.29Å; L73-P95 WeakPolarHBondContact O-CA 2.96Å; L73-S96 PolarHBondContact O-N 3.44Å; L73-S96 PolarHBondContact O-OG 3.15Å
74	F	98.3	Very high	89.7	Confident	48 Å²	48	74.1 Å²	74.1	21%	0.211	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.3	-173.3	-60.1	-75.3	0	0	0	112.1	F52 L67 G71 N72 F94 P95	F52-F74 HydrophobicContact CD1-CD1 4.36Å; F52-F74 HydrophobicContact CD1-CE1 4.38Å; F52-F74 AromaticContact CE1-CD1 3.5Å; F52-F74 HydrophobicContact CE1-CD1 3.5Å; F52-F74 AromaticContact CE1-CE1 3.43Å; F52-F74 HydrophobicContact CE1-CE1 3.43Å; F52-F74 VanDerWaalsContact CE1-CE1 3.43Å; F52-F74 HydrophobicContact CE1-CG 4.25Å; F52-F74 HydrophobicContact CE1-CZ 4.15Å; F52-F74 HydrophobicContact CZ-CD1 4.34Å; F52-F74 AromaticContact CZ-CE1 3.98Å; F52-F74 HydrophobicContact CZ-CE1 3.98Å; F52-F74 HydrophobicContact CZ-CZ 4.26Å; L67-F74 VanDerWaalsContact CB-O 3.32Å; L67-F74 WeakPolarHBondContact CB-O 3.4Å; L67-F74 HydrophobicContact CD1-CB 4.06Å; L67-F74 WeakPolarHBondContact CG-O 3.24Å; L67-F74 PolarHBondContact N-O 3.38Å; G71-F74 PolarHBondContact O-N 2.81Å; N72-F74 VanDerWaalsContact C-N 3.28Å; F74-F94 WeakPolarHBondContact CA-O 3.39Å; F74-P95 HydrophobicContact CD1-CB 4.45Å; F74-P95 HydrophobicContact CD1-CG 4.38Å; F74-P95 HydrophobicContact CE1-CB 4.43Å; F74-P95 HydrophobicContact CE1-CG 4.09Å
75	W	98.6	Very high	87.7	Confident	28 Å²	28	75 Å²	75	11%	0.106	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	161	169.1	-62.4	-11.4	0	0	0	109.9	V63 A65 M66 H93 F94 V99 E101	V63-W75 HydrophobicContact CG1-CB 4.09Å; V63-W75 HydrophobicContact CG1-CD2 4.28Å; V63-W75 HydrophobicContact CG1-CE3 4.02Å; V63-W75 HydrophobicContact CG1-CG 4.37Å; V63-W75 HydrophobicContact CG2-CE3 4.06Å; V63-W75 HydrophobicContact CG2-CZ3 4.49Å; A65-W75 CarbonylContact O-C 3.55Å; A65-W75 WeakPolarHBondContact O-CA 3.18Å; M66-W75 HydrophobicContact CB-CG 4.41Å; M66-W75 HydrophobicContact CE-CD2 4.43Å; M66-W75 HydrophobicContact CE-CH2 4.2Å; M66-W75 HydrophobicContact CE-CZ2 3.92Å; M66-W75 HydrophobicContact CG-CD2 4.18Å; M66-W75 HydrophobicContact CG-CG 3.99Å; M66-W75 HydrophobicContact SD-CZ2 4.35Å; W75-H93 CarbonylContact O-C 3.6Å; W75-H93 WeakPolarHBondContact O-CA 3.49Å; W75-F94 HydrophobicContact CB-CE1 4.34Å; W75-F94 HydrophobicContact CB-CE2 4.15Å; W75-F94 HydrophobicContact CB-CZ 3.89Å; W75-F94 HydrophobicContact CE3-CE2 4.12Å; W75-F94 HydrophobicContact CE3-CZ 4.28Å; W75-F94 PolarHBondContact N-O 3.19Å; W75-F94 PolarHBondContact O-N 3.3Å; W75-V99 HydrophobicContact CE3-CG2 4.12Å; W75-V99 HydrophobicContact CZ3-CG2 3.82Å; W75-E101 HydrophobicContact CH2-CG 3.84Å; W75-E101 WeakPolarHBondContact CH2-OE1 3.43Å; W75-E101 HydrophobicContact CZ3-CG 4.22Å
76	A	97.9	Very high	85.6	Confident	9 Å²	9	84 Å²	84	7%	0.074	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.1	173.4	0	0	0	0	0	109.8	Y64 A65 I91 G92	Y64-A76 PolarHBondContact N-O 3.08Å; A65-A76 HydrophobicContact CB-CB 4.2Å; A65-A76 PolarHBondContact N-O 2.73Å; A65-A76 PolarHBondContact O-N 2.92Å; A76-I91 HydrophobicContact CB-CG2 4.37Å; A76-G92 WeakPolarHBondContact CA-O 3.28Å
77	G	96.9	Very high	83.5	Confident	0 Å²	0	90.3 Å²	90.3	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	-172.1	-177.9	0	0	0	0	0	112.9	I53 Y62 I91 G92	I53-G77 WeakPolarHBondContact CD1-O 3.38Å; Y62-G77 CarbonylContact O-C 3.44Å; Y62-G77 WeakPolarHBondContact O-CA 3.36Å; G77-I91 WeakPolarHBondContact O-CA 3.41Å; G77-G92 PolarHBondContact N-O 3.15Å; G77-G92 PolarHBondContact O-N 3.24Å
78	S	95.4	Very high	81.9	Confident	10 Å²	10	98.8 Å²	98.8	7%	0.07	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140	173.8	-160.8	0	0	0	0	111.2	V61 Y62 A89 R90	V61-S78 WeakPolarHBondContact CA-O 3.48Å; Y62-S78 PolarHBondContact N-O 2.87Å; Y62-S78 PolarHBondContact O-N 3.22Å; S78-A89 WeakPolarHBondContact OG-CB 3.36Å; S78-R90 WeakPolarHBondContact CB-O 3.36Å; S78-R90 PolarHBondContact OG-O 2.03Å
79	V	94.7	Very high	80.9	Confident	30 Å²	30	99.3 Å²	99.3	18%	0.182	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.4	175.4	173.8	0	0	0	0	108.8	I53 I55 Q59 V61 N81	I53-V79 HydrophobicContact CD1-CG2 4.23Å; I55-V79 HydrophobicContact CG1-CG2 4.03Å; Q59-V79 HydrophobicContact CB-CG1 4.11Å; Q59-V79 HydrophobicContact CG-CG1 4.27Å; V61-V79 HydrophobicContact CG2-CG2 4.29Å; V79-N81 PolarHBondContact O-N 3.07Å
80	Q	87.8	Confident	80.6	Confident	82 Å²	82	100.6 Å²	100.6	38%	0.383	49%	0.493	S	S	.	.			trans	-63.5	107.2	171.1	-171.5	-178.5	76.4	0	0	108.9	L60 Y62	L60-Q80 HydrophobicContact CB-CB 4.09Å; L60-Q80 PolarHBondContact O-N 2.83Å; Y62-Q80 HydrophobicContact CD2-CB 4.4Å; Y62-Q80 HydrophobicContact CE2-CB 3.96Å; Y62-Q80 HydrophobicContact CE2-CG 4.09Å; Y62-Q80 PolarHBondContact OH-NE2 3.13Å; Y62-Q80 VanDerWaalsContact OH-NE2 3.1Å
81	N	76.2	Confident	80.7	Confident	97 Å²	97	94 Å²	94	52%	0.519	48%	0.475	S	S	.	.			trans	-80.5	136.8	174.5	-162.6	-6	0	0	0	109.6	V79 Y83	V79-N81 PolarHBondContact O-N 3.07Å; N81-Y83 VanDerWaalsContact C-N 3.32Å; N81-Y83 PolarHBondContact OD1-N 3.28Å
82	T	64.8	Low	80.7	Confident	126 Å²	126	94.1 Å²	94.1	77%	0.773	48%	0.476	S	S	*	.			trans	-84.1	-8.9	179.5	54.3	0	0	0	0	112.8
83	Y	57.8	Low	80.8	Confident	194 Å²	194	90 Å²	90	76%	0.761	45%	0.454	S	S	*	.	S	Bend	trans	-90.5	116.8	-175.4	-141.7	-98.9	0	0	0	111.3	N81 G85	N81-Y83 VanDerWaalsContact C-N 3.32Å; N81-Y83 PolarHBondContact OD1-N 3.28Å; Y83-G85 PolarHBondContact O-N 2.83Å; Y83-G85 VanDerWaalsContact O-N 3.08Å
84	Y	51.4	Low	80.8	Confident	227 Å²	227	84.7 Å²	84.7	89%	0.89	43%	0.426	S	S	*	.			trans	-54.1	112.6	174.4	-72.6	-85.6	0	0	0	110.6
85	G	55.6	Low	80.8	Confident	75 Å²	75	83.5 Å²	83.5	77%	0.773	42%	0.423	S	S	*	.	S	Bend	trans	108.5	-4.9	137	0	0	0	0	0	121.2	Y83	Y83-G85 PolarHBondContact O-N 2.83Å; Y83-G85 VanDerWaalsContact O-N 3.08Å
86	E	53.7	Low	80.8	Confident	193 Å²	193	83.6 Å²	83.6	90%	0.902	43%	0.428	S	S	*	.	S	Bend	trans	-136.6	-5.4	-167.6	-67.4	-170.9	171.5	0	0	118.5
87	Q	55.3	Low	80.8	Confident	163 Å²	163	87.6 Å²	87.6	76%	0.762	46%	0.455	S	S	*	.	S	Bend	trans	-120.9	117.4	177.6	-151.2	158.8	7.6	0	0	111.1	A89	Q87-A89 PolarHBondContact O-N 2.74Å
88	E	64.2	Low	80.9	Confident	187 Å²	187	87.8 Å²	87.8	87%	0.874	46%	0.456	S	S	*	.			trans	-48.8	126	169.1	-70.3	-177.5	171	0	0	108.5	R90	E88-R90 PolarHBondContact O-N 3.23Å
89	A	75.8	Confident	81	Confident	73 Å²	73	87.8 Å²	87.8	60%	0.603	46%	0.456	S	S	*	.			trans	-62.5	100.1	-178.5	0	0	0	0	0	108.1	S78 Q87 I91	S78-A89 WeakPolarHBondContact OG-CB 3.36Å; Q87-A89 PolarHBondContact O-N 2.74Å; A89-I91 PolarHBondContact O-N 3.06Å
90	R	88.5	Confident	81.2	Confident	122 Å²	122	90.7 Å²	90.7	46%	0.46	47%	0.468	S	S	.	.			trans	-61.8	123.7	-178.1	-171.4	173.8	82.6	102.5	-6.9	108.4	C50 F52 S78 E88	C50-R90 PolarHBondContact O-NH1 2.86Å; F52-R90 PolarHBondContact O-NH2 2.88Å; S78-R90 WeakPolarHBondContact CB-O 3.36Å; S78-R90 PolarHBondContact OG-O 2.03Å; E88-R90 PolarHBondContact O-N 3.23Å
91	I	92.9	Very high	81.7	Confident	102 Å²	102	92.8 Å²	92.8	52%	0.523	48%	0.477	S	S	.	.			trans	-85.9	133.7	169.7	-63.3	177.9	0	0	0	108.1	A76 G77 A89	A76-I91 HydrophobicContact CB-CG2 4.37Å; G77-I91 WeakPolarHBondContact O-CA 3.41Å; A89-I91 PolarHBondContact O-N 3.06Å
92	G	95.7	Very high	82.7	Confident	4 Å²	4	90.6 Å²	90.6	4%	0.041	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	178.1	166.8	0	0	0	0	0	112.1	R51 A76 G77	R51-G92 WeakPolarHBondContact O-CA 3.32Å; A76-G92 WeakPolarHBondContact CA-O 3.28Å; G77-G92 PolarHBondContact N-O 3.15Å; G77-G92 PolarHBondContact O-N 3.24Å
93	H	97.8	Very high	84.2	Confident	9 Å²	9	90.4 Å²	90.4	4%	0.042	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	155.4	-173.9	-59.9	-78.1	0	0	0	111.9	L21 R51 F52 I53 W75 D118 F119	L21-H93 HydrophobicContact CD1-CB 4.2Å; R51-H93 PolarHBondContact O-CD2 2.83Å; R51-H93 PolarHBondContact O-N 2.94Å; F52-H93 CarbonylContact C-O 3.51Å; F52-H93 WeakPolarHBondContact CA-O 3.35Å; F52-H93 WeakPolarHBondContact CB-O 3.4Å; F52-H93 HydrophobicContact CD1-CB 3.63Å; F52-H93 WeakPolarHBondContact CD1-O 3.22Å; F52-H93 HydrophobicContact CE1-CB 3.77Å; F52-H93 HydrophobicContact CG-CB 4.42Å; I53-H93 PolarHBondContact N-O 3.19Å; W75-H93 CarbonylContact O-C 3.6Å; W75-H93 WeakPolarHBondContact O-CA 3.49Å; H93-D118 PolarHBondContact NE2-O 3.06Å; H93-F119 AromaticContact CE1-CE1 3.93Å; H93-F119 AromaticContact NE2-CD1 3.62Å; H93-F119 AromaticContact NE2-CE1 3.76Å
94	F	98.1	Very high	86.2	Confident	0 Å²	0	85.7 Å²	85.7	0%	0	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	155	170.3	58.6	-85.9	0	0	0	109.9	Y45 I53 I55 V61 V63 F74 W75 S96 V98 V99	Y45-F94 HydrophobicContact CD1-CB 4.17Å; Y45-F94 HydrophobicContact CE1-CB 4.16Å; I53-F94 HydrophobicContact CD1-CD1 3.98Å; I53-F94 HydrophobicContact CD1-CE1 4.49Å; I53-F94 HydrophobicContact CG1-CD1 4.13Å; I55-F94 HydrophobicContact CD1-CB 3.48Å; I55-F94 VanDerWaalsContact CD1-CB 3.48Å; I55-F94 HydrophobicContact CD1-CD1 3.88Å; I55-F94 HydrophobicContact CD1-CD2 3.71Å; I55-F94 HydrophobicContact CD1-CE2 4.44Å; I55-F94 HydrophobicContact CD1-CG 3.4Å; V61-F94 HydrophobicContact CG1-CD1 4.46Å; V61-F94 HydrophobicContact CG1-CE1 3.62Å; V61-F94 HydrophobicContact CG1-CZ 3.69Å; V63-F94 HydrophobicContact CG2-CZ 4.03Å; F74-F94 WeakPolarHBondContact CA-O 3.39Å; W75-F94 HydrophobicContact CB-CE1 4.34Å; W75-F94 HydrophobicContact CB-CE2 4.15Å; W75-F94 HydrophobicContact CB-CZ 3.89Å; W75-F94 HydrophobicContact CE3-CE2 4.12Å; W75-F94 HydrophobicContact CE3-CZ 4.28Å; W75-F94 PolarHBondContact N-O 3.19Å; W75-F94 PolarHBondContact O-N 3.3Å; F94-S96 PolarHBondContact O-N 2.94Å; F94-V98 HydrophobicContact CD2-CG2 4.18Å; F94-V99 HydrophobicContact CD2-CG1 4.15Å; F94-V99 HydrophobicContact CE2-CG1 3.85Å; F94-V99 HydrophobicContact CE2-CG2 3.78Å
95	P	98.3	Very high	88.4	Confident	22 Å²	22	78.9 Å²	78.9	14%	0.143	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	130.7	176.2	-12.1	25	0	0	0	110.2	Y45 L73 F74 S97 V98	Y45-P95 HydrophobicContact CD2-CG 4.15Å; Y45-P95 HydrophobicContact CE2-CG 3.8Å; L73-P95 CarbonylContact O-C 3.49Å; L73-P95 VanDerWaalsContact O-CA 3.29Å; L73-P95 WeakPolarHBondContact O-CA 2.96Å; F74-P95 HydrophobicContact CD1-CB 4.45Å; F74-P95 HydrophobicContact CD1-CG 4.38Å; F74-P95 HydrophobicContact CE1-CB 4.43Å; F74-P95 HydrophobicContact CE1-CG 4.09Å; P95-S97 PolarHBondContact O-N 2.95Å; P95-S97 VanDerWaalsContact O-N 3.11Å; P95-V98 HydrophobicContact CB-CG1 4.15Å; P95-V98 HydrophobicContact CG-CG1 4.16Å; P95-V98 WeakPolarHBondContact O-CG2 3.37Å; P95-V98 PolarHBondContact O-N 2.92Å; P95-V98 VanDerWaalsContact O-N 3.14Å
96	S	98.3	Very high	90.4	Very high	30 Å²	30	78.9 Å²	78.9	21%	0.21	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-59.8	-26.5	179.5	57.4	0	0	0	0	112.9	L73 F94 V98 V99	L73-S96 PolarHBondContact O-N 3.44Å; L73-S96 PolarHBondContact O-OG 3.15Å; F94-S96 PolarHBondContact O-N 2.94Å; S96-V98 PolarHBondContact O-N 3.49Å; S96-V99 WeakPolarHBondContact O-CG2 3.43Å; S96-V99 PolarHBondContact O-N 2.92Å; S96-V99 VanDerWaalsContact O-O 3.14Å
97	S	98.3	Very high	92.5	Very high	93 Å²	93	73.8 Å²	73.8	65%	0.65	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-67.2	-13.6	178.9	63.3	0	0	0	0	115	P95 V99	P95-S97 PolarHBondContact O-N 2.95Å; P95-S97 VanDerWaalsContact O-N 3.11Å; S97-V99 VanDerWaalsContact C-N 3.33Å
98	V	98.4	Very high	94.5	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.024	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-89.5	-2.5	179.7	-50.1	0	0	0	0	112.8	L42 Q43 I55 F94 P95 S96	L42-V98 PolarHBondContact N-O 2.79Å; Q43-V98 HydrophobicContact CG-CB 4.09Å; Q43-V98 HydrophobicContact CG-CG1 4.33Å; I55-V98 HydrophobicContact CD1-CG2 4.27Å; F94-V98 HydrophobicContact CD2-CG2 4.18Å; P95-V98 HydrophobicContact CB-CG1 4.15Å; P95-V98 HydrophobicContact CG-CG1 4.16Å; P95-V98 WeakPolarHBondContact O-CG2 3.37Å; P95-V98 PolarHBondContact O-N 2.92Å; P95-V98 VanDerWaalsContact O-N 3.14Å; S96-V98 PolarHBondContact O-N 3.49Å
99	V	98.6	Very high	96	Very high	11 Å²	11	63.6 Å²	63.6	7%	0.067	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.7	179.6	-55.9	0	0	0	0	110.9	A39 R40 V61 W75 F94 S96 S97	A39-V99 HydrophobicContact CB-CB 3.8Å; A39-V99 HydrophobicContact CB-CG1 4.43Å; A39-V99 HydrophobicContact CB-CG2 3.69Å; R40-V99 CarbonylContact O-C 3.48Å; R40-V99 WeakPolarHBondContact O-CA 3.21Å; R40-V99 WeakPolarHBondContact O-CB 3.43Å; V61-V99 HydrophobicContact CG2-CG1 4.4Å; W75-V99 HydrophobicContact CE3-CG2 4.12Å; W75-V99 HydrophobicContact CZ3-CG2 3.82Å; F94-V99 HydrophobicContact CD2-CG1 4.15Å; F94-V99 HydrophobicContact CE2-CG1 3.85Å; F94-V99 HydrophobicContact CE2-CG2 3.78Å; S96-V99 WeakPolarHBondContact O-CG2 3.43Å; S96-V99 PolarHBondContact O-N 2.92Å; S96-V99 VanDerWaalsContact O-O 3.14Å; S97-V99 VanDerWaalsContact C-N 3.33Å
100	E	98.5	Very high	97.1	Very high	91 Å²	91	62.2 Å²	62.2	43%	0.425	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.3	164.9	60	179.5	-177.5	0	0	110	A39 R40 L42 T102	A39-E100 CarbonylContact C-O 3.55Å; A39-E100 WeakPolarHBondContact CA-O 3.39Å; A39-E100 VanDerWaalsContact CB-O 3.32Å; A39-E100 WeakPolarHBondContact CB-O 3.49Å; R40-E100 HydrophobicContact CB-CG 4.05Å; R40-E100 PolarHBondContact N-O 2.68Å; R40-E100 PolarHBondContact O-N 2.85Å; L42-E100 HydrophobicContact CD1-CB 4.26Å; L42-E100 HydrophobicContact CD2-CB 3.98Å; L42-E100 HydrophobicContact CD2-CG 3.72Å; L42-E100 HydrophobicContact CG-CB 4.21Å; L42-E100 HydrophobicContact CG-CG 4.27Å; E100-T102 HydrophobicContact CG-CG2 4.36Å
101	E	97.9	Very high	97.6	Very high	125 Å²	125	60.6 Å²	60.6	58%	0.584	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	132.6	173.5	-61.6	-177.9	-154.4	0	0	110	L37 W75	L37-E101 HydrophobicContact CD1-CG 4.22Å; L37-E101 HydrophobicContact CD2-CB 4.31Å; L37-E101 HydrophobicContact CD2-CG 3.69Å; L37-E101 WeakPolarHBondContact CD2-OE2 3Å; W75-E101 HydrophobicContact CH2-CG 3.84Å; W75-E101 WeakPolarHBondContact CH2-OE1 3.43Å; W75-E101 HydrophobicContact CZ3-CG 4.22Å
102	T	96.8	Very high	97.8	Very high	52 Å²	52	57.3 Å²	57.3	32%	0.319	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-47.5	-178.2	66.8	0	0	0	0	113.1	I38 R40 E100	I38-T102 PolarHBondContact O-N 3.3Å; I38-T102 PolarHBondContact O-OG1 3.48Å; R40-T102 HydrophobicContact CB-CG2 3.64Å; E100-T102 HydrophobicContact CG-CG2 4.36Å
103	H	97.4	Very high	98	Very high	122 Å²	122	65.3 Å²	65.3	57%	0.565	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	116.2	-175.8	-64.7	74.5	0	0	0	109.7	L37 I38	L37-H103 CarbonylContact C-O 3.45Å; L37-H103 WeakPolarHBondContact CA-O 3.05Å; L37-H103 VanDerWaalsContact CB-O 3.28Å; L37-H103 WeakPolarHBondContact CB-O 3.23Å; I38-H103 HydrophobicContact CB-CB 4.3Å; I38-H103 HydrophobicContact CD1-CB 4.39Å; I38-H103 PolarHBondContact N-O 3.21Å; I38-H103 PolarHBondContact O-N 3.06Å; I38-H103 VanDerWaalsContact O-N 3.15Å
104	A	98	Very high	97.9	Very high	95 Å²	95	65.2 Å²	65.2	79%	0.785	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.8	170	0	0	0	0	0	110.1
105	L	97.8	Very high	97.8	Very high	84 Å²	84	68.5 Å²	68.5	44%	0.44	39%	0.387	S	S	.	.			trans	-112.4	-51.5	178	-60.9	177.9	0	0	0	110.6	P35 I36 I38 Y62	P35-L105 HydrophobicContact CB-CD1 3.88Å; P35-L105 HydrophobicContact CG-CD1 3.54Å; I36-L105 WeakPolarHBondContact O-CA 3.08Å; I36-L105 PolarHBondContact O-N 3.39Å; I38-L105 HydrophobicContact CD1-CD1 4.38Å; I38-L105 HydrophobicContact CD1-CD2 4.46Å; I38-L105 HydrophobicContact CG1-CD1 4Å; Y62-L105 HydrophobicContact CD1-CD1 4.37Å
106	M	97.8	Very high	97.4	Very high	75 Å²	75	72.5 Å²	72.5	37%	0.369	41%	0.407	S	S	.	.	S	Bend	trans	-141.5	147.9	178.5	-65.9	-168.1	74.3	0	0	110.9	A28 H34 I36	A28-M106 HydrophobicContact CB-CB 3.65Å; A28-M106 HydrophobicContact CB-CG 4.44Å; A28-M106 HydrophobicContact CB-SD 4.1Å; H34-M106 HydrophobicContact CB-SD 3.39Å; H34-M106 WeakPolarHBondContact CB-SD 3.43Å; I36-M106 CarbonylContact C-O 3.57Å; I36-M106 WeakPolarHBondContact CA-O 3.5Å; I36-M106 WeakPolarHBondContact CG2-O 3.28Å; I36-M106 PolarHBondContact O-N 3.25Å
107	P	97.4	Very high	96.9	Very high	86 Å²	86	80.2 Å²	80.2	56%	0.558	43%	0.432	S	S	*	.			trans	-70.3	137.9	179.5	30.2	-35.4	0	0	0	111.6	T109	P107-T109 HydrophobicContact CB-CG2 4.06Å; P107-T109 PolarHBondContact O-N 2Å
108	A	97.3	Very high	96.7	Very high	26 Å²	26	77.8 Å²	77.8	22%	0.215	41%	0.411	C	S	.	.			trans	-82.2	58.9	176.5	0	0	0	0	0	112.4	L26 I36 M66	L26-A108 HydrophobicContact CB-CB 4.13Å; I36-A108 HydrophobicContact CD1-CB 3.75Å; I36-A108 HydrophobicContact CG1-CB 4.06Å; I36-A108 HydrophobicContact CG2-CB 3.8Å; M66-A108 HydrophobicContact SD-CB 4.21Å
109	T	97.6	Very high	96.5	Very high	109 Å²	109	78.2 Å²	78.2	67%	0.669	41%	0.413	S	S	*	.			trans	-97.7	-14.9	-172.7	47.1	0	0	0	0	114.4	C27 P107 E111	C27-T109 PolarHBondContact O-N 3.26Å; P107-T109 HydrophobicContact CB-CG2 4.06Å; P107-T109 PolarHBondContact O-N 2Å; T109-E111 PolarHBondContact O-N 3.24Å
110	T	98.4	Very high	96	Very high	45 Å²	45	84.4 Å²	84.4	28%	0.276	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	107.1	-173.4	-54	0	0	0	0	110.1	L26 C27 A28 V112	L26-T110 CarbonylContact C-O 3.55Å; L26-T110 WeakPolarHBondContact CA-O 3.45Å; C27-T110 PolarHBondContact N-O 3.08Å; C27-T110 WeakPolarHBondContact O-CB 3.14Å; C27-T110 PolarHBondContact O-N 3.07Å; A28-T110 PolarHBondContact O-OG1 3.46Å; T110-V112 HydrophobicContact CG2-CG2 3.99Å
111	E	98.5	Very high	95.4	Very high	88 Å²	88	81.6 Å²	81.6	41%	0.411	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.7	173.6	-175.2	175.2	110.1	0	0	110.8	K24 K25 L26 K68 T109	K24-E111 HydrophobicContact CB-CG 4.49Å; K24-E111 HydrophobicContact CD-CG 4.41Å; K24-E111 WeakPolarHBondContact CD-OE1 3.38Å; K24-E111 VanDerWaalsContact CE-OE1 3.28Å; K24-E111 WeakPolarHBondContact CE-OE1 3.32Å; K24-E111 IonicContact NZ-OE1 2.73Å; K24-E111 PolarHBondContact NZ-OE1 2.84Å; K24-E111 IonicContact NZ-OE2 3.96Å; K25-E111 WeakPolarHBondContact O-CA 3.15Å; L26-E111 HydrophobicContact CD2-CB 4.14Å; K68-E111 HydrophobicContact CD-CG 4.3Å; K68-E111 VanDerWaalsContact CD-OE2 3.31Å; K68-E111 WeakPolarHBondContact CD-OE2 3.36Å; K68-E111 WeakPolarHBondContact CE-OE2 3.43Å; K68-E111 IonicContact NZ-OE2 2.68Å; K68-E111 PolarHBondContact NZ-OE2 2.81Å; T109-E111 PolarHBondContact O-N 3.24Å
112	V	98.1	Very high	93.9	Very high	32 Å²	32	85.6 Å²	85.6	19%	0.194	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143	-178.8	-173.8	0	0	0	0	109.8	K24 K25 C27 T110	K24-V112 WeakPolarHBondContact CA-O 3.47Å; K25-V112 HydrophobicContact CG-CB 4.15Å; K25-V112 PolarHBondContact N-O 3.08Å; K25-V112 PolarHBondContact O-N 3.34Å; C27-V112 HydrophobicContact CB-CG2 4.39Å; T110-V112 HydrophobicContact CG2-CG2 3.99Å
113	K	98.1	Very high	93.8	Very high	172 Å²	172	87.3 Å²	87.3	75%	0.748	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	135.1	172.1	-70.9	-178.6	-178.8	174.5	0	110
114	T	97.1	Very high	93.6	Very high	8 Å²	8	85.5 Å²	85.5	5%	0.049	45%	0.453	C	S	.	.			trans	-75.1	135.5	173.7	58.6	0	0	0	0	111.1	K20 S22 N23 K25 L67 D118 F119	K20-T114 PolarHBondContact NZ-O 2.85Å; S22-T114 PolarHBondContact O-OG1 2.83Å; N23-T114 WeakPolarHBondContact CA-OG1 3.2Å; N23-T114 PolarHBondContact O-N 3.15Å; N23-T114 PolarHBondContact O-OG1 2.72Å; K25-T114 HydrophobicContact CB-CG2 4.28Å; K25-T114 HydrophobicContact CD-CG2 4.31Å; K25-T114 HydrophobicContact CG-CG2 4.17Å; L67-T114 HydrophobicContact CD2-CG2 4.38Å; T114-D118 WeakPolarHBondContact CA-OD2 3.5Å; T114-F119 HydrophobicContact CG2-CE2 4.19Å; T114-F119 HydrophobicContact CG2-CZ 3.9Å
115	T	94.4	Very high	93.3	Very high	69 Å²	69	84.9 Å²	84.9	42%	0.423	43%	0.434	S	S	.	.			trans	-90.8	-178.5	173.6	70.8	0	0	0	0	111	W117 D118	T115-W117 VanDerWaalsContact C-N 3.34Å; T115-W117 PolarHBondContact OG1-N 2.96Å; T115-D118 WeakPolarHBondContact CA-OD2 2.87Å; T115-D118 PolarHBondContact N-OD2 3.03Å; T115-D118 PolarHBondContact OG1-N 2.89Å; T115-D118 PolarHBondContact OG1-OD2 3.47Å
116	N	90	Very high	93.1	Very high	106 Å²	106	85 Å²	85	57%	0.567	43%	0.434	S	S	*	.	S	Bend	trans	-75.2	-28.3	172.1	-67.5	-15.7	0	0	0	111.8	K20 D118 F119 Y120	K20-N116 WeakPolarHBondContact CE-OD1 3.39Å; N116-D118 VanDerWaalsContact C-N 3.26Å; N116-D118 PolarHBondContact O-N 2.9Å; N116-F119 PolarHBondContact O-N 3.25Å; N116-Y120 PolarHBondContact O-N 2.89Å
117	W	89.5	Confident	92.8	Very high	191 Å²	191	85.6 Å²	85.6	72%	0.723	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-65.4	-29.9	178.9	-72.2	113	0	0	0	112.7	T115 F119 Y120	T115-W117 VanDerWaalsContact C-N 3.34Å; T115-W117 PolarHBondContact OG1-N 2.96Å; W117-F119 PolarHBondContact O-N 3.33Å; W117-Y120 HydrophobicContact CE3-CD1 4.02Å; W117-Y120 HydrophobicContact CE3-CG 4.04Å; W117-Y120 AromaticContact CZ3-CD1 3.69Å; W117-Y120 HydrophobicContact CZ3-CD1 3.69Å; W117-Y120 HydrophobicContact CZ3-CE1 4.06Å; W117-Y120 HydrophobicContact CZ3-CG 4.06Å; W117-Y120 PolarHBondContact O-N 2.98Å
118	D	93.7	Very high	92.5	Very high	42 Å²	42	85.6 Å²	85.6	23%	0.225	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-60.3	-18.1	175.5	-68.6	-70.3	0	0	0	113.9	K25 H93 T114 T115 N116	K25-D118 IonicContact NZ-OD1 2.7Å; K25-D118 PolarHBondContact NZ-OD1 2.85Å; K25-D118 IonicContact NZ-OD2 3.77Å; H93-D118 PolarHBondContact NE2-O 3.06Å; T114-D118 WeakPolarHBondContact CA-OD2 3.5Å; T115-D118 WeakPolarHBondContact CA-OD2 2.87Å; T115-D118 PolarHBondContact N-OD2 3.03Å; T115-D118 PolarHBondContact OG1-N 2.89Å; T115-D118 PolarHBondContact OG1-OD2 3.47Å; N116-D118 VanDerWaalsContact C-N 3.26Å; N116-D118 PolarHBondContact O-N 2.9Å
119	F	93.1	Very high	92.1	Very high	14 Å²	14	89.9 Å²	89.9	6%	0.061	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-129	13.7	-178	-48.6	-67.8	0	0	0	112.6	K20 L21 S22 R51 L67 H93 T114 N116 W117	K20-F119 HydrophobicContact CB-CD2 3.87Å; K20-F119 HydrophobicContact CB-CE2 3.6Å; K20-F119 HydrophobicContact CB-CZ 4.31Å; K20-F119 HydrophobicContact CD-CD2 4.33Å; K20-F119 HydrophobicContact CD-CE2 4.01Å; K20-F119 HydrophobicContact CG-CD2 3.68Å; K20-F119 HydrophobicContact CG-CE2 3.69Å; L21-F119 HydrophobicContact CB-CD1 4.15Å; L21-F119 HydrophobicContact CB-CE1 3.6Å; L21-F119 HydrophobicContact CB-CZ 4.22Å; L21-F119 HydrophobicContact CD1-CD1 4.07Å; L21-F119 HydrophobicContact CD1-CE1 4.07Å; L21-F119 HydrophobicContact CG-CD1 3.96Å; L21-F119 HydrophobicContact CG-CE1 3.92Å; S22-F119 WeakPolarHBondContact O-CZ 3.4Å; R51-F119 WeakPolarHBondContact CG-O 3.32Å; L67-F119 HydrophobicContact CD1-CE1 4.14Å; H93-F119 AromaticContact CE1-CE1 3.93Å; H93-F119 AromaticContact NE2-CD1 3.62Å; H93-F119 AromaticContact NE2-CE1 3.76Å; T114-F119 HydrophobicContact CG2-CE2 4.19Å; T114-F119 HydrophobicContact CG2-CZ 3.9Å; N116-F119 PolarHBondContact O-N 3.25Å; W117-F119 PolarHBondContact O-N 3.33Å
120	Y	88.2	Confident	91.7	Very high	140 Å²	140	88.4 Å²	88.4	55%	0.549	43%	0.428	S	S	.	.			trans	-82.5	143.8	-179.3	-169.8	-96.9	0	0	0	110.6	N116 W117 N122	N116-Y120 PolarHBondContact O-N 2.89Å; W117-Y120 HydrophobicContact CE3-CD1 4.02Å; W117-Y120 HydrophobicContact CE3-CG 4.04Å; W117-Y120 AromaticContact CZ3-CD1 3.69Å; W117-Y120 HydrophobicContact CZ3-CD1 3.69Å; W117-Y120 HydrophobicContact CZ3-CE1 4.06Å; W117-Y120 HydrophobicContact CZ3-CG 4.06Å; W117-Y120 PolarHBondContact O-N 2.98Å; Y120-N122 WeakPolarHBondContact CD1-OD1 3.47Å; Y120-N122 WeakPolarHBondContact CE1-OD1 3.16Å
121	C	86	Confident	91.1	Very high	32 Å²	32	92 Å²	92	22%	0.216	44%	0.441	C	S	.	.			trans	-110.3	127.5	173.3	-60.5	0	0	0	0	109.6	M18 C50	M18-C121 WeakPolarHBondContact CE-SG 3.45Å; C50-C121 VanDerWaalsContact C-SG 3.51Å; C50-C121 HydrophobicContact CB-CB 3.61Å; C50-C121 WeakPolarHBondContact CB-SG 3.34Å; C50-C121 WeakPolarHBondContact SG-CB 3.33Å; C50-C121 CovalentContact SG-SG 2Å; C50-C121 PolarHBondContact SG-SG 3.37Å
122	N	66.9	Low	90.5	Very high	210 Å²	210	92.4 Å²	92.4	100%	1.123	44%	0.444	S	S	*	.			trans	-85.8	0	169.5	-71.1	-18.4	0	0	0	110.9	Y120	Y120-N122 WeakPolarHBondContact CD1-OD1 3.47Å; Y120-N122 WeakPolarHBondContact CE1-OD1 3.16Å

Retrieved 122 of 122 residues in 21.3 ms (Link to these results)

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