A0A077Z5E1_TRITR Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A077Z5E1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 aa.

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(Predicted Aligned Error values between residue pairs)

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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	61.6	Low	75.9	Confident	136 Å²	136	107.7 Å²	107.7	67%	0.67	50%	0.502	S	S	*	.				0	-62.4	0	-163.3	55.1	73.5	0	0	112	Q3 F4 V5 W32	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 2.81Å; M1-F4 WeakPolarHBondContact O-CB 3.38Å; M1-F4 PolarHBondContact O-N 3.39Å; M1-V5 HydrophobicContact CG-CG2 4.46Å; M1-V5 PolarHBondContact O-N 3.14Å; M1-W32 HydrophobicContact CE-CH2 3.46Å; M1-W32 VanDerWaalsContact CE-CH2 3.46Å; M1-W32 HydrophobicContact CE-CZ2 3.21Å; M1-W32 HydrophobicContact CG-CH2 3.88Å; M1-W32 HydrophobicContact SD-CH2 3.48Å; M1-W32 WeakPolarHBondContact SD-CH2 3.46Å; M1-W32 HydrophobicContact SD-CZ2 3.57Å; M1-W32 VanDerWaalsContact SD-CZ2 3.57Å; M1-W32 HydrophobicContact SD-CZ3 4.44Å
2	Q	80.4	Confident	76.9	Confident	97 Å²	97	106 Å²	106	45%	0.453	51%	0.511	S	S	.	.	H	α-helix	trans	-50.8	-43.7	-176.7	-67.4	178.2	-27.5	0	0	114.9	F4 V5 R6 D15	Q2-F4 VanDerWaalsContact C-N 3.32Å; Q2-F4 PolarHBondContact O-N 3.34Å; Q2-V5 PolarHBondContact O-N 2.86Å; Q2-R6 WeakPolarHBondContact O-CB 3.28Å; Q2-R6 WeakPolarHBondContact O-CG 3.16Å; Q2-R6 PolarHBondContact O-N 2.74Å; Q2-D15 VanDerWaalsContact CG-O 3.31Å; Q2-D15 WeakPolarHBondContact CG-O 3.16Å; Q2-D15 PolarHBondContact NE2-O 3.39Å
3	Q	81	Confident	77.9	Confident	168 Å²	168	107.9 Å²	107.9	79%	0.785	53%	0.526	S	S	*	.	H	α-helix	trans	-61.1	-37.7	177.3	-67.8	179.8	18.4	0	0	113.4	M1 K7	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 2.81Å; Q3-K7 VanDerWaalsContact O-CB 3.29Å; Q3-K7 WeakPolarHBondContact O-CB 3.41Å; Q3-K7 PolarHBondContact O-N 3.41Å
4	F	76	Confident	78.4	Confident	120 Å²	120	101.4 Å²	101.4	53%	0.526	50%	0.497	S	S	.	.	H	α-helix	trans	-64.9	-48	176.6	169.5	-93.8	0	0	0	110.4	M1 Q2 K7 Y8 F37	M1-F4 WeakPolarHBondContact O-CB 3.38Å; M1-F4 PolarHBondContact O-N 3.39Å; Q2-F4 VanDerWaalsContact C-N 3.32Å; Q2-F4 PolarHBondContact O-N 3.34Å; F4-K7 PolarHBondContact O-N 2.6Å; F4-Y8 HydrophobicContact CZ-CD2 4.1Å; F4-Y8 VanDerWaalsContact O-CB 3.28Å; F4-Y8 WeakPolarHBondContact O-CB 3.38Å; F4-Y8 PolarHBondContact O-N 3.07Å; F4-F37 HydrophobicContact CE1-CE1 4.31Å
5	V	71.6	Confident	79	Confident	1 Å²	1	103 Å²	103	1%	0.006	51%	0.509	C	S	.	.	H	α-helix	trans	-58.8	-50.7	178.5	174.9	0	0	0	0	110.9	M1 Q2 K7 Y8 F9 A14 G16 A17	M1-V5 HydrophobicContact CG-CG2 4.46Å; M1-V5 PolarHBondContact O-N 3.14Å; Q2-V5 PolarHBondContact O-N 2.86Å; V5-K7 VanDerWaalsContact C-N 3.26Å; V5-K7 PolarHBondContact O-N 3.34Å; V5-Y8 PolarHBondContact O-N 2.77Å; V5-Y8 VanDerWaalsContact O-N 3.15Å; V5-F9 HydrophobicContact CG1-CD2 3.63Å; V5-F9 HydrophobicContact CG1-CE2 3.96Å; V5-F9 VanDerWaalsContact O-CD2 3.3Å; V5-F9 WeakPolarHBondContact O-CD2 3.16Å; V5-F9 PolarHBondContact O-N 2.89Å; V5-A14 HydrophobicContact CG1-CB 3.79Å; V5-G16 VanDerWaalsContact CG1-O 3.29Å; V5-G16 WeakPolarHBondContact CG1-O 3.43Å; V5-A17 HydrophobicContact CG1-CB 4.35Å; V5-A17 HydrophobicContact CG2-CB 3.7Å
6	R	80.4	Confident	79.4	Confident	88 Å²	88	99 Å²	99	33%	0.332	50%	0.503	S	S	.	.	H	α-helix	trans	-57.6	-42.2	179.2	-68.3	170.2	-176	-174.4	-3.2	111.8	Q2 N10 C11 S12 A14	Q2-R6 WeakPolarHBondContact O-CB 3.28Å; Q2-R6 WeakPolarHBondContact O-CG 3.16Å; Q2-R6 PolarHBondContact O-N 2.74Å; R6-N10 CarbonylContact O-C 3.57Å; R6-N10 VanDerWaalsContact O-CA 3.24Å; R6-N10 WeakPolarHBondContact O-CA 3.46Å; R6-N10 PolarHBondContact O-N 3.25Å; R6-C11 VanDerWaalsContact CA-O 3.24Å; R6-C11 WeakPolarHBondContact CA-O 3.47Å; R6-C11 VanDerWaalsContact CB-O 3.31Å; R6-C11 WeakPolarHBondContact CB-O 3.14Å; R6-C11 VanDerWaalsContact CG-O 3.25Å; R6-C11 WeakPolarHBondContact CG-O 3.3Å; R6-C11 PolarHBondContact O-N 3.29Å; R6-S12 VanDerWaalsContact CD-O 3.26Å; R6-S12 WeakPolarHBondContact CD-O 3.21Å; R6-S12 PolarHBondContact NE-O 3.2Å; R6-A14 HydrophobicContact CG-CB 3.93Å; R6-A14 WeakPolarHBondContact CG-O 3.25Å; R6-A14 PolarHBondContact NE-O 3.31Å; R6-A14 PolarHBondContact NH2-O 3.04Å
7	K	74.7	Confident	79.3	Confident	179 Å²	179	94.3 Å²	94.3	78%	0.778	48%	0.482	S	S	*	.	H	α-helix	trans	-68.4	-43.6	176.8	-175	179.4	178.5	-177	0	112.1	Q3 F4 V5	Q3-K7 VanDerWaalsContact O-CB 3.29Å; Q3-K7 WeakPolarHBondContact O-CB 3.41Å; Q3-K7 PolarHBondContact O-N 3.41Å; F4-K7 PolarHBondContact O-N 2.6Å; V5-K7 VanDerWaalsContact C-N 3.26Å; V5-K7 PolarHBondContact O-N 3.34Å
8	Y	71.3	Confident	79.5	Confident	111 Å²	111	94.5 Å²	94.5	44%	0.435	48%	0.481	S	S	.	.	H	α-helix	trans	-65.4	-49.5	-177.3	-175.1	-88.6	0	0	0	111.5	F4 V5 N10 F37	F4-Y8 HydrophobicContact CZ-CD2 4.1Å; F4-Y8 VanDerWaalsContact O-CB 3.28Å; F4-Y8 WeakPolarHBondContact O-CB 3.38Å; F4-Y8 PolarHBondContact O-N 3.07Å; V5-Y8 PolarHBondContact O-N 2.77Å; V5-Y8 VanDerWaalsContact O-N 3.15Å; Y8-N10 VanDerWaalsContact C-N 3.31Å; Y8-N10 PolarHBondContact O-N 3.37Å; Y8-F37 HydrophobicContact CD1-CD1 4.25Å; Y8-F37 HydrophobicContact CD1-CE1 4.07Å; Y8-F37 AromaticContact CE1-CD1 3.59Å; Y8-F37 HydrophobicContact CE1-CD1 3.59Å; Y8-F37 AromaticContact CE1-CE1 3.89Å; Y8-F37 HydrophobicContact CE1-CE1 3.89Å; Y8-F37 HydrophobicContact CE2-CD1 4.04Å; Y8-F37 HydrophobicContact CE2-CE1 4.42Å; Y8-F37 HydrophobicContact CG-CE1 4.43Å; Y8-F37 AromaticContact CZ-CD1 3.48Å; Y8-F37 VanDerWaalsContact CZ-CD1 3.48Å
9	F	75.2	Confident	79.7	Confident	73 Å²	73	94 Å²	94	32%	0.32	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-0.3	-179.6	-64.3	-69.7	0	0	0	114	V5 C11 A17 L36 F37	V5-F9 HydrophobicContact CG1-CD2 3.63Å; V5-F9 HydrophobicContact CG1-CE2 3.96Å; V5-F9 VanDerWaalsContact O-CD2 3.3Å; V5-F9 WeakPolarHBondContact O-CD2 3.16Å; V5-F9 PolarHBondContact O-N 2.89Å; F9-C11 HydrophobicContact CB-CB 4.28Å; F9-C11 PolarHBondContact O-N 2.99Å; F9-A17 HydrophobicContact CE2-CB 4.47Å; F9-L36 HydrophobicContact CE1-CB 4.15Å; F9-L36 VanDerWaalsContact CE1-O 3.25Å; F9-L36 WeakPolarHBondContact CE1-O 3.38Å; F9-L36 HydrophobicContact CZ-CB 3.79Å; F9-L36 HydrophobicContact CZ-CD1 4.33Å; F9-F37 HydrophobicContact CE2-CZ 4.49Å; F9-F37 HydrophobicContact CZ-CE1 4.23Å; F9-F37 HydrophobicContact CZ-CZ 4.21Å
10	N	79.6	Confident	79.9	Confident	153 Å²	153	89.6 Å²	89.6	82%	0.818	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	43.9	-172.2	-168.5	41.4	0	0	0	112.8	R6 Y8	R6-N10 CarbonylContact O-C 3.57Å; R6-N10 VanDerWaalsContact O-CA 3.24Å; R6-N10 WeakPolarHBondContact O-CA 3.46Å; R6-N10 PolarHBondContact O-N 3.25Å; Y8-N10 VanDerWaalsContact C-N 3.31Å; Y8-N10 PolarHBondContact O-N 3.37Å
11	C	83	Confident	80.1	Confident	59 Å²	59	90.4 Å²	90.4	40%	0.399	46%	0.462	S	S	.	.			trans	-129.2	106.3	-176.2	-178.4	0	0	0	0	109.3	R6 F9 D13 A14	R6-C11 VanDerWaalsContact CA-O 3.24Å; R6-C11 WeakPolarHBondContact CA-O 3.47Å; R6-C11 VanDerWaalsContact CB-O 3.31Å; R6-C11 WeakPolarHBondContact CB-O 3.14Å; R6-C11 VanDerWaalsContact CG-O 3.25Å; R6-C11 WeakPolarHBondContact CG-O 3.3Å; R6-C11 PolarHBondContact O-N 3.29Å; F9-C11 HydrophobicContact CB-CB 4.28Å; F9-C11 PolarHBondContact O-N 2.99Å; C11-D13 PolarHBondContact O-N 2.79Å; C11-A14 HydrophobicContact CB-CB 4.25Å; C11-A14 WeakPolarHBondContact O-CB 3.37Å; C11-A14 PolarHBondContact O-N 3.22Å
12	S	88.2	Confident	81.2	Confident	87 Å²	87	86.4 Å²	86.4	61%	0.608	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.1	-175.7	53.9	0	0	0	0	113.5	R6 A14	R6-S12 VanDerWaalsContact CD-O 3.26Å; R6-S12 WeakPolarHBondContact CD-O 3.21Å; R6-S12 PolarHBondContact NE-O 3.2Å; S12-A14 VanDerWaalsContact C-N 3.3Å
13	D	90.2	Very high	81.2	Confident	131 Å²	131	82.9 Å²	82.9	70%	0.701	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	6	-171.9	-55.4	-11.4	0	0	0	111.3	C11 D15	C11-D13 PolarHBondContact O-N 2.79Å; D13-D15 PolarHBondContact O-N 3.02Å
14	A	84.6	Confident	81.2	Confident	16 Å²	16	77 Å²	77	13%	0.132	42%	0.417	C	S	.	.			trans	-66.6	123.8	176.7	0	0	0	0	0	111	V5 R6 C11 S12	V5-A14 HydrophobicContact CG1-CB 3.79Å; R6-A14 HydrophobicContact CG-CB 3.93Å; R6-A14 WeakPolarHBondContact CG-O 3.25Å; R6-A14 PolarHBondContact NE-O 3.31Å; R6-A14 PolarHBondContact NH2-O 3.04Å; C11-A14 HydrophobicContact CB-CB 4.25Å; C11-A14 WeakPolarHBondContact O-CB 3.37Å; C11-A14 PolarHBondContact O-N 3.22Å; S12-A14 VanDerWaalsContact C-N 3.3Å
15	D	87.4	Confident	81.3	Confident	126 Å²	126	81.8 Å²	81.8	67%	0.674	44%	0.438	S	S	*	.			trans	-89.4	-12.7	-179.8	-71.9	-33.1	0	0	0	113.6	Q2 D13	Q2-D15 VanDerWaalsContact CG-O 3.31Å; Q2-D15 WeakPolarHBondContact CG-O 3.16Å; Q2-D15 PolarHBondContact NE2-O 3.39Å; D13-D15 PolarHBondContact O-N 3.02Å
16	G	85.1	Confident	81.6	Confident	39 Å²	39	84.1 Å²	84.1	40%	0.402	46%	0.462	S	S	.	.			trans	168.5	175.4	-178.6	0	0	0	0	0	111.7	V5	V5-G16 VanDerWaalsContact CG1-O 3.29Å; V5-G16 WeakPolarHBondContact CG1-O 3.43Å
17	A	78.6	Confident	81.1	Confident	19 Å²	19	81.4 Å²	81.4	16%	0.157	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-101	147.5	168.4	0	0	0	0	0	108.6	V5 F9 W32 F37	V5-A17 HydrophobicContact CG1-CB 4.35Å; V5-A17 HydrophobicContact CG2-CB 3.7Å; F9-A17 HydrophobicContact CE2-CB 4.47Å; A17-W32 HydrophobicContact CB-CE3 3.65Å; A17-W32 HydrophobicContact CB-CZ3 3.72Å; A17-F37 HydrophobicContact CB-CZ 4.31Å
18	E	81.9	Confident	81.5	Confident	98 Å²	98	74.7 Å²	74.7	46%	0.458	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-65.4	143.8	176.5	-62.6	166.3	-176.4	0	0	109.7	E33 R35 L36	E18-E33 HydrophobicContact CB-CB 3.66Å; E18-E33 HydrophobicContact CB-CG 4.14Å; E18-E33 WeakPolarHBondContact O-CB 3.44Å; E18-E33 PolarHBondContact O-N 2.8Å; E18-R35 IonicContact OE2-CZ 3.22Å; E18-R35 IonicContact OE2-NH2 2.8Å; E18-R35 PolarHBondContact OE2-NH2 3.12Å; E18-L36 HydrophobicContact CB-CD1 3.61Å; E18-L36 HydrophobicContact CG-CD1 3.88Å
19	L	84.5	Confident	82	Confident	85 Å²	85	71.7 Å²	71.7	45%	0.445	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-93.4	145.3	167.5	-64	175.9	0	0	0	108	N21 H31 W32	L19-N21 PolarHBondContact O-N 2.95Å; L19-H31 CarbonylContact C-O 3.21Å; L19-H31 VanDerWaalsContact CA-O 3.28Å; L19-H31 WeakPolarHBondContact CA-O 3.33Å; L19-H31 WeakPolarHBondContact CD2-O 3.11Å; L19-W32 HydrophobicContact CD2-CD2 4.32Å; L19-W32 HydrophobicContact CD2-CE3 3.77Å; L19-W32 HydrophobicContact CD2-CH2 4.26Å; L19-W32 HydrophobicContact CD2-CZ3 3.74Å
20	E	82.2	Confident	82.2	Confident	6 Å²	6	72.5 Å²	72.5	3%	0.028	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-48.4	125.2	175.5	178.5	54.8	-104.6	0	0	109.9	D22 T27 A28 G29 H31 Y64	E20-D22 WeakPolarHBondContact OE1-CA 3.3Å; E20-D22 WeakPolarHBondContact OE1-CB 3.45Å; E20-D22 PolarHBondContact OE1-N 2.99Å; E20-T27 HydrophobicContact CG-CG2 3.67Å; E20-A28 CarbonylContact O-C 3.46Å; E20-A28 WeakPolarHBondContact O-CA 3.45Å; E20-G29 PolarHBondContact O-N 3.42Å; E20-H31 HydrophobicContact CB-CB 4.01Å; E20-H31 PolarHBondContact N-O 2.78Å; E20-Y64 HydrophobicContact CG-CD1 4.18Å; E20-Y64 WeakPolarHBondContact OE2-CA 3.47Å; E20-Y64 WeakPolarHBondContact OE2-CB 2.95Å; E20-Y64 WeakPolarHBondContact OE2-CD1 3.26Å
21	N	85.1	Confident	81.7	Confident	107 Å²	107	69.9 Å²	69.9	57%	0.572	43%	0.433	S	S	*	.			trans	-104.8	-6.2	-177.2	68.8	19.7	0	0	0	112.2	L19	L19-N21 PolarHBondContact O-N 2.95Å
22	D	84	Confident	81.4	Confident	52 Å²	52	72.3 Å²	72.3	28%	0.278	43%	0.434	S	S	.	.	S	Bend	trans	-108.7	171.6	-176.3	-126.5	-42.1	0	0	0	112.1	E20 G24 A28 K63 Y64	E20-D22 WeakPolarHBondContact OE1-CA 3.3Å; E20-D22 WeakPolarHBondContact OE1-CB 3.45Å; E20-D22 PolarHBondContact OE1-N 2.99Å; D22-G24 VanDerWaalsContact C-N 3.35Å; D22-G24 PolarHBondContact O-N 2.06Å; D22-A28 PolarHBondContact O-N 2.81Å; D22-K63 HydrophobicContact CB-CG 4.41Å; D22-Y64 HydrophobicContact CB-CD1 4.18Å; D22-Y64 HydrophobicContact CB-CE1 4.47Å
23	G	80.4	Confident	80.9	Confident	23 Å²	23	68.2 Å²	68.2	24%	0.237	41%	0.405	C	S	.	.	S	Bend	trans	86.6	-15.4	178.6	0	0	0	0	0	117.7	Y64	G23-Y64 VanDerWaalsContact CA-CE1 3.48Å
24	G	81.9	Confident	79.9	Confident	43 Å²	43	67.1 Å²	67.1	44%	0.443	40%	0.395	S	S	.	.			trans	72	-153.1	177.5	0	0	0	0	0	114	D22 G26 T27 A28	D22-G24 VanDerWaalsContact C-N 3.35Å; D22-G24 PolarHBondContact O-N 2.06Å; G24-G26 PolarHBondContact O-N 3.27Å; G24-T27 PolarHBondContact O-N 3.4Å; G24-A28 PolarHBondContact O-N 3.1Å
25	F	78.3	Confident	79.3	Confident	221 Å²	221	70 Å²	70	97%	0.969	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	123.2	-172.1	-165.4	-89.4	0	0	0	111.6
26	G	77.9	Confident	78.2	Confident	50 Å²	50	65.8 Å²	65.8	52%	0.515	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	-15.6	-176.6	0	0	0	0	0	114.1	G24 H31	G24-G26 PolarHBondContact O-N 3.27Å; G26-H31 PolarHBondContact O-CE1 2.77Å; G26-H31 VanDerWaalsContact O-CE1 3.29Å
27	T	70	Confident	77	Confident	32 Å²	32	66.4 Å²	66.4	20%	0.196	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-57.2	178.9	-56.3	0	0	0	0	111.7	E20 G24 G29 S30 H31 Y64	E20-T27 HydrophobicContact CG-CG2 3.67Å; G24-T27 PolarHBondContact O-N 3.4Å; T27-G29 PolarHBondContact O-N 3.33Å; T27-S30 PolarHBondContact O-N 3.49Å; T27-H31 WeakPolarHBondContact CA-ND1 3.1Å; T27-H31 PolarHBondContact O-N 2.61Å; T27-H31 PolarHBondContact O-ND1 2.77Å; T27-Y64 HydrophobicContact CG2-CD1 4.16Å; T27-Y64 HydrophobicContact CG2-CE1 3.56Å
28	A	81.5	Confident	75.8	Confident	38 Å²	38	67.2 Å²	67.2	31%	0.314	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	132.2	-177.5	0	0	0	0	0	111.1	E20 D22 G24 S30	E20-A28 CarbonylContact O-C 3.46Å; E20-A28 WeakPolarHBondContact O-CA 3.45Å; D22-A28 PolarHBondContact O-N 2.81Å; G24-A28 PolarHBondContact O-N 3.1Å; A28-S30 PolarHBondContact O-N 3.04Å
29	G	81.7	Confident	74.3	Confident	48 Å²	48	70.9 Å²	70.9	50%	0.495	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	-0.7	-179.7	0	0	0	0	0	115.7	E20 T27	E20-G29 PolarHBondContact O-N 3.42Å; T27-G29 PolarHBondContact O-N 3.33Å
30	S	81	Confident	72.6	Confident	89 Å²	89	69.3 Å²	69.3	62%	0.622	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-12.3	179.3	-57.9	0	0	0	0	113.8	T27 A28	T27-S30 PolarHBondContact O-N 3.49Å; A28-S30 PolarHBondContact O-N 3.04Å
31	H	69.4	Low	70.7	Confident	98 Å²	98	75.6 Å²	75.6	45%	0.454	43%	0.426	S	S	.	.	S	Bend	trans	-122.1	160.3	177.9	-57	99.1	0	0	0	111	L19 E20 G26 T27	L19-H31 CarbonylContact C-O 3.21Å; L19-H31 VanDerWaalsContact CA-O 3.28Å; L19-H31 WeakPolarHBondContact CA-O 3.33Å; L19-H31 WeakPolarHBondContact CD2-O 3.11Å; E20-H31 HydrophobicContact CB-CB 4.01Å; E20-H31 PolarHBondContact N-O 2.78Å; G26-H31 PolarHBondContact O-CE1 2.77Å; G26-H31 VanDerWaalsContact O-CE1 3.29Å; T27-H31 WeakPolarHBondContact CA-ND1 3.1Å; T27-H31 PolarHBondContact O-N 2.61Å; T27-H31 PolarHBondContact O-ND1 2.77Å
32	W	75.8	Confident	68.9	Low	110 Å²	110	73.7 Å²	73.7	42%	0.417	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-73.7	143.7	169	-62.2	109.2	0	0	0	110.3	M1 A17 L19 K34 F37	M1-W32 HydrophobicContact CE-CH2 3.46Å; M1-W32 VanDerWaalsContact CE-CH2 3.46Å; M1-W32 HydrophobicContact CE-CZ2 3.21Å; M1-W32 HydrophobicContact CG-CH2 3.88Å; M1-W32 HydrophobicContact SD-CH2 3.48Å; M1-W32 WeakPolarHBondContact SD-CH2 3.46Å; M1-W32 HydrophobicContact SD-CZ2 3.57Å; M1-W32 VanDerWaalsContact SD-CZ2 3.57Å; M1-W32 HydrophobicContact SD-CZ3 4.44Å; A17-W32 HydrophobicContact CB-CE3 3.65Å; A17-W32 HydrophobicContact CB-CZ3 3.72Å; L19-W32 HydrophobicContact CD2-CD2 4.32Å; L19-W32 HydrophobicContact CD2-CE3 3.77Å; L19-W32 HydrophobicContact CD2-CH2 4.26Å; L19-W32 HydrophobicContact CD2-CZ3 3.74Å; W32-K34 PolarHBondContact O-N 2.79Å; W32-K34 VanDerWaalsContact O-N 3.08Å; W32-F37 HydrophobicContact CB-CD2 4.26Å; W32-F37 HydrophobicContact CB-CE2 3.64Å; W32-F37 HydrophobicContact CB-CZ 4.31Å; W32-F37 HydrophobicContact CG-CE2 4.29Å
33	E	76.7	Confident	67.2	Low	1 Å²	1	74.5 Å²	74.5	1%	0.005	44%	0.435	C	S	.	.			trans	-55.7	111.1	176.6	178.1	49.3	-114.4	0	0	110.6	E18 R35 L36 F37	E18-E33 HydrophobicContact CB-CB 3.66Å; E18-E33 HydrophobicContact CB-CG 4.14Å; E18-E33 WeakPolarHBondContact O-CB 3.44Å; E18-E33 PolarHBondContact O-N 2.8Å; E33-R35 HydrophobicContact CG-CB 4.22Å; E33-R35 PolarHBondContact O-N 3.46Å; E33-R35 WeakPolarHBondContact OE1-CB 3.25Å; E33-R35 PolarHBondContact OE1-N 3.05Å; E33-L36 HydrophobicContact CB-CD1 4.04Å; E33-L36 HydrophobicContact CB-CG 4Å; E33-L36 HydrophobicContact CG-CD1 4.35Å; E33-L36 HydrophobicContact CG-CG 3.86Å; E33-L36 WeakPolarHBondContact O-CB 3.19Å; E33-L36 PolarHBondContact O-N 2.88Å; E33-F37 VanDerWaalsContact O-CD2 3.3Å; E33-F37 WeakPolarHBondContact O-CD2 3.25Å
34	K	70.6	Confident	65.8	Low	109 Å²	109	79 Å²	79	47%	0.474	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-67.3	-28.1	-170.3	171.6	-172.3	-177.5	-175.1	0	111.2	W32 L36 F37 D62 Y64 T65	W32-K34 PolarHBondContact O-N 2.79Å; W32-K34 VanDerWaalsContact O-N 3.08Å; K34-L36 VanDerWaalsContact C-N 3.26Å; K34-L36 PolarHBondContact O-N 3.29Å; K34-F37 PolarHBondContact O-N 2.74Å; K34-D62 IonicContact NZ-OD2 3.47Å; K34-D62 PolarHBondContact NZ-OD2 3.38Å; K34-Y64 VanDerWaalsContact CB-O 3.3Å; K34-Y64 WeakPolarHBondContact CB-O 3.34Å; K34-T65 HydrophobicContact CD-CG2 3.91Å; K34-T65 HydrophobicContact CG-CG2 4.06Å
35	R	72	Confident	64	Low	75 Å²	75	78.1 Å²	78.1	28%	0.283	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-55	-40.8	171.6	175.6	175.8	50.7	71.1	8.2	112.5	E18 E33 F37 G38 Y64 D66 C68	E18-R35 IonicContact OE2-CZ 3.22Å; E18-R35 IonicContact OE2-NH2 2.8Å; E18-R35 PolarHBondContact OE2-NH2 3.12Å; E33-R35 HydrophobicContact CG-CB 4.22Å; E33-R35 PolarHBondContact O-N 3.46Å; E33-R35 WeakPolarHBondContact OE1-CB 3.25Å; E33-R35 PolarHBondContact OE1-N 3.05Å; R35-F37 PolarHBondContact O-N 3.05Å; R35-G38 PolarHBondContact O-N 3.3Å; R35-Y64 PolarHBondContact N-O 2.83Å; R35-D66 IonicContact CZ-OD2 2.7Å; R35-D66 IonicContact NE-OD2 3.79Å; R35-D66 PolarHBondContact NE-OD2 3.33Å; R35-D66 IonicContact NH2-OD2 2.87Å; R35-D66 PolarHBondContact NH2-OD2 3.34Å; R35-C68 WeakPolarHBondContact CD-SG 3.45Å
36	L	63.8	Low	63.1	Low	38 Å²	38	72 Å²	72	20%	0.199	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-67.7	-24.3	-172.7	-69.8	-174.6	0	0	0	113.2	F9 E18 E33 K34 G38	F9-L36 HydrophobicContact CE1-CB 4.15Å; F9-L36 VanDerWaalsContact CE1-O 3.25Å; F9-L36 WeakPolarHBondContact CE1-O 3.38Å; F9-L36 HydrophobicContact CZ-CB 3.79Å; F9-L36 HydrophobicContact CZ-CD1 4.33Å; E18-L36 HydrophobicContact CB-CD1 3.61Å; E18-L36 HydrophobicContact CG-CD1 3.88Å; E33-L36 HydrophobicContact CB-CD1 4.04Å; E33-L36 HydrophobicContact CB-CG 4Å; E33-L36 HydrophobicContact CG-CD1 4.35Å; E33-L36 HydrophobicContact CG-CG 3.86Å; E33-L36 WeakPolarHBondContact O-CB 3.19Å; E33-L36 PolarHBondContact O-N 2.88Å; K34-L36 VanDerWaalsContact C-N 3.26Å; K34-L36 PolarHBondContact O-N 3.29Å; L36-G38 VanDerWaalsContact C-N 3.3Å
37	F	59.5	Low	61.8	Low	52 Å²	52	72.4 Å²	72.4	23%	0.228	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-99.6	20.3	-178.7	-58.5	-86.9	0	0	0	111.9	F4 Y8 F9 A17 W32 E33 K34 R35	F4-F37 HydrophobicContact CE1-CE1 4.31Å; Y8-F37 HydrophobicContact CD1-CD1 4.25Å; Y8-F37 HydrophobicContact CD1-CE1 4.07Å; Y8-F37 AromaticContact CE1-CD1 3.59Å; Y8-F37 HydrophobicContact CE1-CD1 3.59Å; Y8-F37 AromaticContact CE1-CE1 3.89Å; Y8-F37 HydrophobicContact CE1-CE1 3.89Å; Y8-F37 HydrophobicContact CE2-CD1 4.04Å; Y8-F37 HydrophobicContact CE2-CE1 4.42Å; Y8-F37 HydrophobicContact CG-CE1 4.43Å; Y8-F37 AromaticContact CZ-CD1 3.48Å; Y8-F37 VanDerWaalsContact CZ-CD1 3.48Å; F9-F37 HydrophobicContact CE2-CZ 4.49Å; F9-F37 HydrophobicContact CZ-CE1 4.23Å; F9-F37 HydrophobicContact CZ-CZ 4.21Å; A17-F37 HydrophobicContact CB-CZ 4.31Å; W32-F37 HydrophobicContact CB-CD2 4.26Å; W32-F37 HydrophobicContact CB-CE2 3.64Å; W32-F37 HydrophobicContact CB-CZ 4.31Å; W32-F37 HydrophobicContact CG-CE2 4.29Å; E33-F37 VanDerWaalsContact O-CD2 3.3Å; E33-F37 WeakPolarHBondContact O-CD2 3.25Å; K34-F37 PolarHBondContact O-N 2.74Å; R35-F37 PolarHBondContact O-N 3.05Å
38	G	53.9	Low	60.8	Low	37 Å²	37	78.8 Å²	78.8	38%	0.381	44%	0.436	S	S	.	.			trans	-61	141.7	-173.1	0	0	0	0	0	114.9	R35 L36 M70	R35-G38 PolarHBondContact O-N 3.3Å; L36-G38 VanDerWaalsContact C-N 3.3Å; G38-M70 VanDerWaalsContact CA-CE 3.4Å
39	Y	50.7	Low	60.6	Low	174 Å²	174	81.4 Å²	81.4	68%	0.682	45%	0.445	S	S	*	.	S	Bend	trans	-93.2	-7.9	-159.4	-126.2	-90.8	0	0	0	115.6	E114	Y39-E114 WeakPolarHBondContact CD1-OE1 3.24Å; Y39-E114 VanDerWaalsContact CE1-OE1 3.28Å; Y39-E114 WeakPolarHBondContact CE1-OE1 3.35Å
40	F	48.1	Very low	59.9	Low	53 Å²	53	86.6 Å²	86.6	23%	0.232	46%	0.458	C	S	.	.			trans	-153.2	52.2	-167.6	-67.1	-68.1	0	0	0	116.7	G42 M43 W71 E114	F40-G42 PolarHBondContact O-N 2.92Å; F40-M43 HydrophobicContact CB-SD 3.94Å; F40-M43 HydrophobicContact CD1-CE 3.13Å; F40-M43 HydrophobicContact CD1-SD 3.4Å; F40-M43 WeakPolarHBondContact CD1-SD 3.45Å; F40-M43 HydrophobicContact CE1-CE 3.41Å; F40-M43 VanDerWaalsContact CE1-CE 3.41Å; F40-M43 HydrophobicContact CE1-SD 4.1Å; F40-M43 HydrophobicContact CG-CE 4.18Å; F40-M43 HydrophobicContact CG-SD 3.87Å; F40-W71 HydrophobicContact CD2-CB 4.4Å; F40-W71 AromaticContact CD2-CD1 3.41Å; F40-W71 VanDerWaalsContact CD2-CD1 3.41Å; F40-W71 HydrophobicContact CD2-CG 4.2Å; F40-W71 AromaticContact CG-CD1 3.82Å; F40-E114 HydrophobicContact CE1-CB 4.37Å; F40-E114 HydrophobicContact CE1-CG 3.87Å; F40-E114 VanDerWaalsContact CE1-OE1 3.29Å; F40-E114 WeakPolarHBondContact CE1-OE1 3.31Å; F40-E114 WeakPolarHBondContact CE1-OE2 3.19Å; F40-E114 VanDerWaalsContact CZ-CD 3.44Å; F40-E114 HydrophobicContact CZ-CG 3.76Å; F40-E114 VanDerWaalsContact CZ-OE1 3.25Å; F40-E114 WeakPolarHBondContact CZ-OE1 3.14Å
41	S	42.2	Very low	58.7	Low	137 Å²	137	86.8 Å²	86.8	96%	0.958	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	119.5	170.2	-170.2	0	0	0	0	111.1
42	G	47.1	Very low	58.3	Low	67 Å²	67	85.5 Å²	85.5	69%	0.691	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.9	4.3	168.6	0	0	0	0	0	118	F40	F40-G42 PolarHBondContact O-N 2.92Å
43	M	48.7	Very low	56.8	Low	70 Å²	70	83 Å²	83	35%	0.345	45%	0.446	S	S	.	.			trans	-78.1	141.6	-178.9	-69.2	-175.3	159.1	0	0	113.7	F40 G55	F40-M43 HydrophobicContact CB-SD 3.94Å; F40-M43 HydrophobicContact CD1-CE 3.13Å; F40-M43 HydrophobicContact CD1-SD 3.4Å; F40-M43 WeakPolarHBondContact CD1-SD 3.45Å; F40-M43 HydrophobicContact CE1-CE 3.41Å; F40-M43 VanDerWaalsContact CE1-CE 3.41Å; F40-M43 HydrophobicContact CE1-SD 4.1Å; F40-M43 HydrophobicContact CG-CE 4.18Å; F40-M43 HydrophobicContact CG-SD 3.87Å; M43-G55 PolarHBondContact O-N 2.98Å
44	H	51.7	Low	55.6	Low	118 Å²	118	87.8 Å²	87.8	55%	0.546	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	154.6	172.7	61.6	-79	0	0	0	110	V52 I53	H44-V52 HydrophobicContact CB-CG1 3.91Å; H44-I53 CarbonylContact C-O 3.54Å; H44-I53 WeakPolarHBondContact CA-O 3.28Å
45	A	43.5	Very low	54.3	Low	24 Å²	24	84.2 Å²	84.2	20%	0.198	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.7	173.7	0	0	0	0	0	110.3	V52 I53 I118	A45-V52 CarbonylContact O-C 3.53Å; A45-V52 WeakPolarHBondContact O-CA 3.37Å; A45-I53 PolarHBondContact N-O 3.28Å; A45-I53 PolarHBondContact O-N 2.83Å; A45-I118 HydrophobicContact CB-CD1 3.72Å; A45-I118 HydrophobicContact CB-CG1 3.81Å
46	V	58.3	Low	52.8	Low	91 Å²	91	86.2 Å²	86.2	55%	0.552	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.2	176	-173.6	0	0	0	0	108.4	N51 V52	V46-N51 WeakPolarHBondContact CA-O 3.25Å; V46-V52 HydrophobicContact CG2-CG2 4.35Å
47	L	51.8	Low	51.8	Low	60 Å²	60	88.1 Å²	88.1	31%	0.314	50%	0.499	S	S	.	.			trans	-75.8	165.1	176.9	-67.9	-176.9	0	0	0	111.8	D49 M50 N51 I53 I118	L47-D49 WeakPolarHBondContact CB-OD1 3.37Å; L47-D49 PolarHBondContact O-N 2.83Å; L47-M50 WeakPolarHBondContact O-CA 3.42Å; L47-M50 PolarHBondContact O-N 2.83Å; L47-N51 HydrophobicContact CB-CB 4.29Å; L47-N51 WeakPolarHBondContact CB-O 3.04Å; L47-N51 HydrophobicContact CD1-CB 4Å; L47-N51 HydrophobicContact CG-CB 4.48Å; L47-N51 PolarHBondContact N-O 3.41Å; L47-I53 HydrophobicContact CD1-CD1 3.84Å; L47-I53 HydrophobicContact CD1-CG1 3.91Å; L47-I53 HydrophobicContact CD2-CD1 3.67Å; L47-I53 HydrophobicContact CD2-CG1 4.3Å; L47-I53 HydrophobicContact CG-CD1 3.84Å; L47-I53 HydrophobicContact CG-CG1 3.93Å; L47-I118 HydrophobicContact CD2-CD1 4.47Å
48	E	49.4	Very low	51.3	Low	165 Å²	165	87.7 Å²	87.7	77%	0.771	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.3	178.3	-65.8	-173.3	153.8	0	0	113.3	M50 F137	E48-M50 PolarHBondContact O-N 3.25Å; E48-F137 HydrophobicContact CG-CE2 4.46Å; E48-F137 HydrophobicContact CG-CZ 4.36Å; E48-F137 VanDerWaalsContact OE1-CE2 3.23Å; E48-F137 WeakPolarHBondContact OE1-CE2 3.25Å; E48-F137 WeakPolarHBondContact OE1-CZ 3.49Å
49	D	76.8	Confident	51.1	Low	94 Å²	94	90.1 Å²	90.1	50%	0.503	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	10.7	173.6	63.4	5.3	0	0	0	113.1	L47 N51	L47-D49 WeakPolarHBondContact CB-OD1 3.37Å; L47-D49 PolarHBondContact O-N 2.83Å; D49-N51 PolarHBondContact O-N 2.99Å; D49-N51 WeakPolarHBondContact OD1-CB 3.02Å; D49-N51 PolarHBondContact OD1-N 3.38Å; D49-N51 PolarHBondContact OD1-ND2 2.72Å; D49-N51 PolarHBondContact OD2-ND2 3.43Å
50	M	66.2	Low	51.2	Low	156 Å²	156	83.1 Å²	83.1	77%	0.768	49%	0.489	S	S	*	.	S	Bend	trans	66.6	9.9	-175.2	-51.3	-175.7	-65.2	0	0	115.3	L47 E48	L47-M50 WeakPolarHBondContact O-CA 3.42Å; L47-M50 PolarHBondContact O-N 2.83Å; E48-M50 PolarHBondContact O-N 3.25Å
51	N	56.6	Low	51.9	Low	94 Å²	94	84 Å²	84	50%	0.503	51%	0.506	S	S	.	.			trans	-71	136.7	173.6	-73.2	-42.6	0	0	0	110.8	V46 L47 D49	V46-N51 WeakPolarHBondContact CA-O 3.25Å; L47-N51 HydrophobicContact CB-CB 4.29Å; L47-N51 WeakPolarHBondContact CB-O 3.04Å; L47-N51 HydrophobicContact CD1-CB 4Å; L47-N51 HydrophobicContact CG-CB 4.48Å; L47-N51 PolarHBondContact N-O 3.41Å; D49-N51 PolarHBondContact O-N 2.99Å; D49-N51 WeakPolarHBondContact OD1-CB 3.02Å; D49-N51 PolarHBondContact OD1-N 3.38Å; D49-N51 PolarHBondContact OD1-ND2 2.72Å; D49-N51 PolarHBondContact OD2-ND2 3.43Å
52	V	59.8	Low	53.2	Low	71 Å²	71	78.7 Å²	78.7	43%	0.43	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.6	176.8	-172.3	0	0	0	0	108.9	H44 A45 V46 H54	H44-V52 HydrophobicContact CB-CG1 3.91Å; A45-V52 CarbonylContact O-C 3.53Å; A45-V52 WeakPolarHBondContact O-CA 3.37Å; V46-V52 HydrophobicContact CG2-CG2 4.35Å; V52-H54 WeakPolarHBondContact CG1-NE2 3.47Å
53	I	46	Very low	54.4	Low	58 Å²	58	79.3 Å²	79.3	30%	0.297	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.2	167.6	-52.5	177.5	0	0	0	107.1	H44 A45 L47 S57	H44-I53 CarbonylContact C-O 3.54Å; H44-I53 WeakPolarHBondContact CA-O 3.28Å; A45-I53 PolarHBondContact N-O 3.28Å; A45-I53 PolarHBondContact O-N 2.83Å; L47-I53 HydrophobicContact CD1-CD1 3.84Å; L47-I53 HydrophobicContact CD1-CG1 3.91Å; L47-I53 HydrophobicContact CD2-CD1 3.67Å; L47-I53 HydrophobicContact CD2-CG1 4.3Å; L47-I53 HydrophobicContact CG-CD1 3.84Å; L47-I53 HydrophobicContact CG-CG1 3.93Å; I53-S57 VanDerWaalsContact CG2-OG 3.31Å; I53-S57 WeakPolarHBondContact CG2-OG 3.2Å
54	H	50.7	Low	55.4	Low	100 Å²	100	79.1 Å²	79.1	46%	0.463	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	151.1	168.8	-71	-93.6	0	0	0	109.5	V52 T56 S57	V52-H54 WeakPolarHBondContact CG1-NE2 3.47Å; H54-T56 WeakPolarHBondContact CB-OG1 3.43Å; H54-T56 PolarHBondContact O-N 3.09Å; H54-S57 WeakPolarHBondContact O-CB 3.33Å; H54-S57 PolarHBondContact O-N 3.24Å; H54-S57 PolarHBondContact O-OG 3.16Å
55	G	42.5	Very low	56.4	Low	35 Å²	35	73.5 Å²	73.5	36%	0.361	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-55.6	-2.9	171.5	0	0	0	0	0	114.5	M43 S57 V58 P69	M43-G55 PolarHBondContact O-N 2.98Å; G55-S57 PolarHBondContact O-N 3.28Å; G55-V58 WeakPolarHBondContact O-CG2 3.29Å; G55-P69 WeakPolarHBondContact O-CB 3.02Å
56	T	41.5	Very low	57.9	Low	116 Å²	116	74.9 Å²	74.9	71%	0.712	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-68.9	-5.4	164.9	53.5	0	0	0	0	114	H54	H54-T56 WeakPolarHBondContact CB-OG1 3.43Å; H54-T56 PolarHBondContact O-N 3.09Å
57	S	43.4	Very low	58.5	Low	78 Å²	78	76.2 Å²	76.2	55%	0.545	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-97.5	0.4	-177.5	-38.7	0	0	0	0	113.9	I53 H54 G55	I53-S57 VanDerWaalsContact CG2-OG 3.31Å; I53-S57 WeakPolarHBondContact CG2-OG 3.2Å; H54-S57 WeakPolarHBondContact O-CB 3.33Å; H54-S57 PolarHBondContact O-N 3.24Å; H54-S57 PolarHBondContact O-OG 3.16Å; G55-S57 PolarHBondContact O-N 3.28Å
58	V	48.6	Very low	59	Low	44 Å²	44	75.3 Å²	75.3	27%	0.267	42%	0.423	S	S	.	.	S	Bend	trans	-91.6	152.8	175.5	-53.9	0	0	0	0	110.5	G55 P69	G55-V58 WeakPolarHBondContact O-CG2 3.29Å; V58-P69 VanDerWaalsContact CG2-C 3.5Å; V58-P69 HydrophobicContact CG2-CB 3.51Å; V58-P69 WeakPolarHBondContact O-CB 3.44Å
59	T	50.5	Low	59.5	Low	88 Å²	88	70.1 Å²	70.1	54%	0.54	40%	0.403	S	S	.	.			trans	-79.6	139.2	-162.8	85.4	0	0	0	0	112.7	A61	T59-A61 PolarHBondContact O-N 3.3Å; T59-A61 VanDerWaalsContact O-N 3.13Å; T59-A61 WeakPolarHBondContact OG1-CB 3.45Å
60	G	52	Low	58.5	Low	26 Å²	26	67.6 Å²	67.6	27%	0.268	39%	0.389	S	S	.	.			trans	-79.6	35.1	170.2	0	0	0	0	0	113.7	D62 H67	G60-D62 PolarHBondContact O-N 3.01Å; G60-H67 WeakPolarHBondContact CA-O 3.04Å; G60-H67 WeakPolarHBondContact O-CA 3.47Å; G60-H67 PolarHBondContact O-ND1 2.87Å
61	A	62.5	Low	57.8	Low	72 Å²	72	64.8 Å²	64.8	60%	0.595	37%	0.37	S	S	*	.			trans	-74.5	-11.2	-171.1	0	0	0	0	0	113.8	T59	T59-A61 PolarHBondContact O-N 3.3Å; T59-A61 VanDerWaalsContact O-N 3.13Å; T59-A61 WeakPolarHBondContact OG1-CB 3.45Å
62	D	68.8	Low	57.6	Low	25 Å²	25	64.2 Å²	64.2	13%	0.134	36%	0.364	C	S	.	.			trans	-94.5	119.4	174.4	-168.3	-0.4	0	0	0	110.7	K34 G60 Y64 T65 H67	K34-D62 IonicContact NZ-OD2 3.47Å; K34-D62 PolarHBondContact NZ-OD2 3.38Å; G60-D62 PolarHBondContact O-N 3.01Å; D62-Y64 VanDerWaalsContact C-N 3.28Å; D62-Y64 PolarHBondContact O-N 2.92Å; D62-Y64 WeakPolarHBondContact OD1-CB 3.24Å; D62-Y64 WeakPolarHBondContact OD1-CD2 3.24Å; D62-Y64 PolarHBondContact OD1-N 3.34Å; D62-T65 HydrophobicContact CB-CG2 4.01Å; D62-T65 PolarHBondContact O-N 2.85Å; D62-T65 PolarHBondContact O-OG1 2.03Å; D62-H67 PolarHBondContact O-N 3.1Å
63	K	72.4	Confident	57.3	Low	81 Å²	81	66.2 Å²	66.2	35%	0.352	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-68.1	-30.7	176.6	67	-178.6	-179.4	-179.3	0	112.1	D22 T65 D66	D22-K63 HydrophobicContact CB-CG 4.41Å; K63-T65 PolarHBondContact O-N 3.06Å; K63-T65 VanDerWaalsContact O-N 3.12Å; K63-D66 PolarHBondContact O-N 3.08Å; K63-D66 VanDerWaalsContact O-N 3.08Å
64	Y	71.4	Confident	57.6	Low	65 Å²	65	66.1 Å²	66.1	26%	0.255	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-70.8	-6.7	178.2	-55.8	-53.5	0	0	0	112.9	E20 D22 G23 T27 K34 R35 D62	E20-Y64 HydrophobicContact CG-CD1 4.18Å; E20-Y64 WeakPolarHBondContact OE2-CA 3.47Å; E20-Y64 WeakPolarHBondContact OE2-CB 2.95Å; E20-Y64 WeakPolarHBondContact OE2-CD1 3.26Å; D22-Y64 HydrophobicContact CB-CD1 4.18Å; D22-Y64 HydrophobicContact CB-CE1 4.47Å; G23-Y64 VanDerWaalsContact CA-CE1 3.48Å; T27-Y64 HydrophobicContact CG2-CD1 4.16Å; T27-Y64 HydrophobicContact CG2-CE1 3.56Å; K34-Y64 VanDerWaalsContact CB-O 3.3Å; K34-Y64 WeakPolarHBondContact CB-O 3.34Å; R35-Y64 PolarHBondContact N-O 2.83Å; D62-Y64 VanDerWaalsContact C-N 3.28Å; D62-Y64 PolarHBondContact O-N 2.92Å; D62-Y64 WeakPolarHBondContact OD1-CB 3.24Å; D62-Y64 WeakPolarHBondContact OD1-CD2 3.24Å; D62-Y64 PolarHBondContact OD1-N 3.34Å
65	T	72	Confident	57.5	Low	1 Å²	1	69 Å²	69	1%	0.006	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-106.3	20.3	174.9	64.7	0	0	0	0	111	K34 D62 K63 H67 C68 M70	K34-T65 HydrophobicContact CD-CG2 3.91Å; K34-T65 HydrophobicContact CG-CG2 4.06Å; D62-T65 HydrophobicContact CB-CG2 4.01Å; D62-T65 PolarHBondContact O-N 2.85Å; D62-T65 PolarHBondContact O-OG1 2.03Å; K63-T65 PolarHBondContact O-N 3.06Å; K63-T65 VanDerWaalsContact O-N 3.12Å; T65-H67 PolarHBondContact O-N 3.04Å; T65-H67 VanDerWaalsContact O-N 3.16Å; T65-C68 WeakPolarHBondContact O-CB 3.48Å; T65-C68 PolarHBondContact O-N 2.99Å; T65-C68 PolarHBondContact O-SG 3.33Å; T65-C68 PolarHBondContact OG1-O 3.24Å; T65-M70 HydrophobicContact CG2-CB 4.44Å; T65-M70 HydrophobicContact CG2-CG 3.76Å
66	D	75.3	Confident	57.6	Low	52 Å²	52	72.3 Å²	72.3	28%	0.278	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	39.7	-170.4	-72.8	-38.8	0	0	0	111.8	R35 K63 C68	R35-D66 IonicContact CZ-OD2 2.7Å; R35-D66 IonicContact NE-OD2 3.79Å; R35-D66 PolarHBondContact NE-OD2 3.33Å; R35-D66 IonicContact NH2-OD2 2.87Å; R35-D66 PolarHBondContact NH2-OD2 3.34Å; K63-D66 PolarHBondContact O-N 3.08Å; K63-D66 VanDerWaalsContact O-N 3.08Å; D66-C68 PolarHBondContact O-N 3.16Å
67	H	70.3	Confident	57.3	Low	119 Å²	119	68.5 Å²	68.5	55%	0.551	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	19.2	-174.7	-56.8	-66.8	0	0	0	114.7	G60 D62 T65	G60-H67 WeakPolarHBondContact CA-O 3.04Å; G60-H67 WeakPolarHBondContact O-CA 3.47Å; G60-H67 PolarHBondContact O-ND1 2.87Å; D62-H67 PolarHBondContact O-N 3.1Å; T65-H67 PolarHBondContact O-N 3.04Å; T65-H67 VanDerWaalsContact O-N 3.16Å
68	C	63	Low	57.1	Low	41 Å²	41	72.2 Å²	72.2	28%	0.277	39%	0.393	S	S	.	.			trans	-65.9	143.7	171.5	-70.9	0	0	0	0	109.9	R35 T65 D66 M70	R35-C68 WeakPolarHBondContact CD-SG 3.45Å; T65-C68 WeakPolarHBondContact O-CB 3.48Å; T65-C68 PolarHBondContact O-N 2.99Å; T65-C68 PolarHBondContact O-SG 3.33Å; T65-C68 PolarHBondContact OG1-O 3.24Å; D66-C68 PolarHBondContact O-N 3.16Å; C68-M70 WeakPolarHBondContact O-CG 3.34Å; C68-M70 PolarHBondContact O-N 3.24Å; C68-M70 VanDerWaalsContact O-N 3.11Å
69	P	58.8	Low	56.6	Low	56 Å²	56	76.9 Å²	76.9	36%	0.364	41%	0.409	S	S	.	.			trans	-64.6	112	175.2	29.3	-36.2	0	0	0	109.2	G55 V58	G55-P69 WeakPolarHBondContact O-CB 3.02Å; V58-P69 VanDerWaalsContact CG2-C 3.5Å; V58-P69 HydrophobicContact CG2-CB 3.51Å; V58-P69 WeakPolarHBondContact O-CB 3.44Å
70	M	55.4	Low	56.3	Low	42 Å²	42	78.5 Å²	78.5	21%	0.207	42%	0.424	C	S	.	.			trans	-126.1	149.2	179.6	-63.5	-62.2	-70.6	0	0	110.1	G38 T65 C68 Q72	G38-M70 VanDerWaalsContact CA-CE 3.4Å; T65-M70 HydrophobicContact CG2-CB 4.44Å; T65-M70 HydrophobicContact CG2-CG 3.76Å; C68-M70 WeakPolarHBondContact O-CG 3.34Å; C68-M70 PolarHBondContact O-N 3.24Å; C68-M70 VanDerWaalsContact O-N 3.11Å; M70-Q72 PolarHBondContact O-N 3.46Å
71	W	52.6	Low	55.9	Low	96 Å²	96	84 Å²	84	36%	0.364	45%	0.446	S	S	.	.			trans	-65.4	115.7	162.1	-72.2	99.2	0	0	0	107.7	F40 T139 M140	F40-W71 HydrophobicContact CD2-CB 4.4Å; F40-W71 AromaticContact CD2-CD1 3.41Å; F40-W71 VanDerWaalsContact CD2-CD1 3.41Å; F40-W71 HydrophobicContact CD2-CG 4.2Å; F40-W71 AromaticContact CG-CD1 3.82Å; W71-T139 WeakPolarHBondContact CH2-O 3.47Å; W71-T139 WeakPolarHBondContact CZ3-O 3.25Å; W71-M140 WeakPolarHBondContact CZ3-O 3.31Å
72	Q	53.3	Low	55	Low	82 Å²	82	86.2 Å²	86.2	38%	0.383	45%	0.448	S	S	.	.			trans	-92.2	145.9	173.3	-67.1	-178.4	-43.2	0	0	108.7	M70 V74	M70-Q72 PolarHBondContact O-N 3.46Å; Q72-V74 WeakPolarHBondContact O-CG2 3.37Å; Q72-V74 PolarHBondContact O-N 2.85Å
73	D	53.3	Low	53.8	Low	113 Å²	113	91.7 Å²	91.7	60%	0.604	48%	0.482	S	S	*	.			trans	-57.3	109.5	168.4	-68.7	-30.6	0	0	0	108.4	F75 M86	D73-F75 PolarHBondContact O-N 3.42Å; D73-M86 HydrophobicContact CB-CG 4.12Å
74	V	51.7	Low	52.8	Low	56 Å²	56	88.8 Å²	88.8	34%	0.339	48%	0.475	S	S	.	.			trans	-82.3	106.1	-179.9	-175.4	0	0	0	0	108	Q72 L76 M140	Q72-V74 WeakPolarHBondContact O-CG2 3.37Å; Q72-V74 PolarHBondContact O-N 2.85Å; V74-L76 VanDerWaalsContact C-N 3.33Å; V74-L76 HydrophobicContact CG1-CG 4.16Å; V74-L76 PolarHBondContact O-N 3Å; V74-M140 HydrophobicContact CB-CE 4.29Å; V74-M140 HydrophobicContact CG1-CE 3.41Å; V74-M140 VanDerWaalsContact CG1-CE 3.41Å; V74-M140 HydrophobicContact CG1-SD 4.34Å; V74-M140 HydrophobicContact CG2-CB 4.38Å; V74-M140 HydrophobicContact CG2-CE 3.84Å
75	F	47.7	Very low	52.1	Low	161 Å²	161	89.4 Å²	89.4	71%	0.706	48%	0.483	S	S	*	.			trans	-64.2	88.9	170.8	-64.4	-87.9	0	0	0	110.4	D73 G77	D73-F75 PolarHBondContact O-N 3.42Å; F75-G77 VanDerWaalsContact C-N 3.27Å; F75-G77 PolarHBondContact O-N 3.44Å; F75-G77 VanDerWaalsContact O-N 3.13Å
76	L	46.1	Very low	51.7	Low	104 Å²	104	93 Å²	93	55%	0.545	50%	0.5	S	S	.	.			trans	-84.7	70	169.8	-78.5	165.5	0	0	0	110.2	V74 Y141	V74-L76 VanDerWaalsContact C-N 3.33Å; V74-L76 HydrophobicContact CG1-CG 4.16Å; V74-L76 PolarHBondContact O-N 3Å; L76-Y141 HydrophobicContact CD1-CE2 4.09Å
77	G	35.4	Very low	51.6	Low	37 Å²	37	94.1 Å²	94.1	38%	0.381	51%	0.509	S	S	.	.	S	Bend	trans	173.4	116.1	170.8	0	0	0	0	0	114.4	F75 K79	F75-G77 VanDerWaalsContact C-N 3.27Å; F75-G77 PolarHBondContact O-N 3.44Å; F75-G77 VanDerWaalsContact O-N 3.13Å; G77-K79 PolarHBondContact O-N 2.9Å
78	D	37.4	Very low	52	Low	155 Å²	155	89 Å²	89	83%	0.829	49%	0.486	S	S	*	.			trans	-61.4	80.3	165.1	-164.7	13.3	0	0	0	110.2
79	K	40	Very low	52.9	Low	142 Å²	142	91.6 Å²	91.6	62%	0.617	50%	0.497	S	S	*	.			trans	-151.8	93.4	163.9	-79.7	-164.7	179	-178.5	0	108.2	G77 I81	G77-K79 PolarHBondContact O-N 2.9Å; K79-I81 PolarHBondContact O-N 2.86Å
80	S	43.4	Very low	53.9	Low	122 Å²	122	91.9 Å²	91.9	85%	0.853	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	20.8	164.4	65.1	0	0	0	0	113.8
81	I	43.6	Very low	55.2	Low	141 Å²	141	95.2 Å²	95.2	72%	0.723	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.7	-15.7	-168.6	-59.6	178	0	0	0	113.2	K79	K79-I81 PolarHBondContact O-N 2.86Å
82	D	43.6	Very low	56.4	Low	119 Å²	119	93.8 Å²	93.8	64%	0.636	53%	0.53	S	S	*	.			trans	-125.6	96.3	168	-74.5	-47.5	0	0	0	107.8	G84	D82-G84 PolarHBondContact O-N 2.79Å
83	V	43.8	Very low	57.5	Low	141 Å²	141	90.8 Å²	90.8	86%	0.855	52%	0.516	S	S	*	.			trans	-69.8	71.2	162.3	-175	0	0	0	0	106.3	D85	V83-D85 PolarHBondContact O-N 2.85Å
84	G	51	Low	58.7	Low	20 Å²	20	91.6 Å²	91.6	21%	0.206	51%	0.511	C	S	.	.			trans	-62.4	120.6	163.6	0	0	0	0	0	106.2	D82 M86 N93	D82-G84 PolarHBondContact O-N 2.79Å; G84-M86 WeakPolarHBondContact O-CE 3.16Å; G84-N93 WeakPolarHBondContact CA-OD1 3.28Å
85	D	55.4	Low	59.8	Low	77 Å²	77	90.8 Å²	90.8	41%	0.412	51%	0.507	S	S	.	.			trans	-54.4	158.2	162.2	50.1	33.4	0	0	0	108.7	V83 V87 N90 N93	V83-D85 PolarHBondContact O-N 2.85Å; D85-V87 HydrophobicContact CB-CB 4.35Å; D85-V87 HydrophobicContact CB-CG2 3.84Å; D85-V87 PolarHBondContact O-N 3.35Å; D85-N90 PolarHBondContact OD1-ND2 2.8Å; D85-N93 PolarHBondContact O-ND2 2.87Å; D85-N93 PolarHBondContact O-OD1 3.13Å; D85-N93 PolarHBondContact OD1-ND2 3.34Å
86	M	65.5	Low	61	Low	77 Å²	77	86.8 Å²	86.8	38%	0.379	49%	0.493	S	S	.	.			trans	-87.7	25	174.4	-64	-66.3	108.6	0	0	111	D73 G84 C88	D73-M86 HydrophobicContact CB-CG 4.12Å; G84-M86 WeakPolarHBondContact O-CE 3.16Å; M86-C88 PolarHBondContact O-N 2.97Å
87	V	72.2	Confident	62.1	Low	76 Å²	76	87.1 Å²	87.1	46%	0.461	50%	0.504	S	S	.	.			trans	-76.4	119.2	-172.6	175.7	0	0	0	0	109	D85 D89 N90 N93 Y106	D85-V87 HydrophobicContact CB-CB 4.35Å; D85-V87 HydrophobicContact CB-CG2 3.84Å; D85-V87 PolarHBondContact O-N 3.35Å; V87-D89 HydrophobicContact CG1-CB 3.98Å; V87-D89 PolarHBondContact O-N 2.69Å; V87-D89 VanDerWaalsContact O-N 3.1Å; V87-N90 PolarHBondContact O-N 3.24Å; V87-N93 PolarHBondContact O-ND2 2.71Å; V87-N93 VanDerWaalsContact O-ND2 3.08Å; V87-Y106 WeakPolarHBondContact O-CD1 3.21Å
88	C	79.8	Confident	63.6	Low	10 Å²	10	94.1 Å²	94.1	7%	0.068	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.8	-177.1	-61.4	0	0	0	0	114.7	M86 N90 Y106 G107 S110 I111 C112 C145	M86-C88 PolarHBondContact O-N 2.97Å; C88-N90 VanDerWaalsContact C-N 3.29Å; C88-Y106 CarbonylContact O-C 3.42Å; C88-Y106 WeakPolarHBondContact O-CA 3.42Å; C88-G107 PolarHBondContact O-N 3.34Å; C88-S110 WeakPolarHBondContact O-CB 3.39Å; C88-I111 VanDerWaalsContact SG-C 3.59Å; C88-C112 WeakPolarHBondContact SG-CA 3.42Å; C88-C112 PolarHBondContact SG-N 3.18Å; C88-C145 WeakPolarHBondContact CA-SG 2.73Å; C88-C145 HydrophobicContact CB-CB 3.6Å; C88-C145 WeakPolarHBondContact CB-SG 3.3Å; C88-C145 WeakPolarHBondContact SG-CA 3.44Å; C88-C145 WeakPolarHBondContact SG-CB 3.49Å; C88-C145 CovalentContact SG-SG 2.03Å; C88-C145 PolarHBondContact SG-SG 3.47Å
89	D	81.9	Confident	65.1	Low	96 Å²	96	92 Å²	92	51%	0.513	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-30.5	176.2	-169.7	-6.1	0	0	0	112	V87 N91 G107 S108	V87-D89 HydrophobicContact CG1-CB 3.98Å; V87-D89 PolarHBondContact O-N 2.69Å; V87-D89 VanDerWaalsContact O-N 3.1Å; D89-N91 PolarHBondContact O-N 2.91Å; D89-G107 WeakPolarHBondContact CA-O 3.5Å; D89-G107 CarbonylContact O-C 3.41Å; D89-G107 WeakPolarHBondContact O-CA 3.41Å; D89-S108 PolarHBondContact O-N 2.88Å; D89-S108 WeakPolarHBondContact OD1-CA 3.2Å; D89-S108 WeakPolarHBondContact OD1-CB 3.28Å; D89-S108 PolarHBondContact OD1-N 2.7Å
90	N	78.2	Confident	66.6	Low	63 Å²	63	85.9 Å²	85.9	34%	0.337	47%	0.474	S	S	.	.			trans	-85.4	106.6	-172.9	174.2	13	0	0	0	111.5	D85 V87 C88 G92 N93 Y106	D85-N90 PolarHBondContact OD1-ND2 2.8Å; V87-N90 PolarHBondContact O-N 3.24Å; C88-N90 VanDerWaalsContact C-N 3.29Å; N90-G92 PolarHBondContact O-N 2.77Å; N90-G92 VanDerWaalsContact O-N 3.09Å; N90-G92 PolarHBondContact OD1-N 3.24Å; N90-N93 VanDerWaalsContact CB-ND2 3.28Å; N90-N93 WeakPolarHBondContact CB-ND2 3.23Å; N90-N93 PolarHBondContact ND2-ND2 2.8Å; N90-N93 PolarHBondContact ND2-OD1 2.79Å; N90-N93 PolarHBondContact O-N 2.74Å; N90-N93 VanDerWaalsContact O-N 3.16Å; N90-N93 PolarHBondContact O-ND2 2.8Å; N90-Y106 WeakPolarHBondContact O-CB 3.11Å
91	N	84	Confident	67.9	Low	111 Å²	111	81.9 Å²	81.9	59%	0.594	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-54.5	-27.7	178.3	-68.3	-52.3	0	0	0	113.9	D89 N93 R94 Y106 G107	D89-N91 PolarHBondContact O-N 2.91Å; N91-N93 PolarHBondContact O-N 3.43Å; N91-R94 WeakPolarHBondContact O-CB 3.19Å; N91-R94 PolarHBondContact O-N 3.25Å; N91-Y106 PolarHBondContact OD1-O 3.28Å; N91-Y106 VanDerWaalsContact OD1-O 3.04Å; N91-G107 WeakPolarHBondContact OD1-CA 3.38Å; N91-G107 PolarHBondContact OD1-N 2.79Å
92	G	77.9	Confident	69.3	Low	66 Å²	66	75.1 Å²	75.1	68%	0.68	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-64.9	-19.7	-178.3	0	0	0	0	0	113.8	N90 R94	N90-G92 PolarHBondContact O-N 2.77Å; N90-G92 VanDerWaalsContact O-N 3.09Å; N90-G92 PolarHBondContact OD1-N 3.24Å; G92-R94 VanDerWaalsContact C-N 3.32Å
93	N	75.2	Confident	70.8	Confident	19 Å²	19	70.8 Å²	70.8	10%	0.102	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-87	-5.1	-177.7	-52.5	-31.1	0	0	0	113.1	G84 D85 V87 N90 N91 P95 Y106	G84-N93 WeakPolarHBondContact CA-OD1 3.28Å; D85-N93 PolarHBondContact O-ND2 2.87Å; D85-N93 PolarHBondContact O-OD1 3.13Å; D85-N93 PolarHBondContact OD1-ND2 3.34Å; V87-N93 PolarHBondContact O-ND2 2.71Å; V87-N93 VanDerWaalsContact O-ND2 3.08Å; N90-N93 VanDerWaalsContact CB-ND2 3.28Å; N90-N93 WeakPolarHBondContact CB-ND2 3.23Å; N90-N93 PolarHBondContact ND2-ND2 2.8Å; N90-N93 PolarHBondContact ND2-OD1 2.79Å; N90-N93 PolarHBondContact O-N 2.74Å; N90-N93 VanDerWaalsContact O-N 3.16Å; N90-N93 PolarHBondContact O-ND2 2.8Å; N91-N93 PolarHBondContact O-N 3.43Å; N93-P95 VanDerWaalsContact O-CD 3.26Å; N93-P95 WeakPolarHBondContact O-CD 3.47Å; N93-Y106 HydrophobicContact CB-CD1 3.5Å; N93-Y106 VanDerWaalsContact CB-CD1 3.5Å; N93-Y106 HydrophobicContact CB-CE1 3.48Å; N93-Y106 VanDerWaalsContact CB-CE1 3.48Å; N93-Y106 HydrophobicContact CB-CG 4.2Å
94	R	79.6	Confident	72.5	Confident	130 Å²	130	64.9 Å²	64.9	49%	0.491	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-62.5	120.1	-178.4	-167.5	174	-174.1	175.7	-1.6	110.3	N91 G92 Y106	N91-R94 WeakPolarHBondContact O-CB 3.19Å; N91-R94 PolarHBondContact O-N 3.25Å; G92-R94 VanDerWaalsContact C-N 3.32Å; R94-Y106 HydrophobicContact CB-CD2 4.09Å; R94-Y106 HydrophobicContact CB-CG 4.36Å; R94-Y106 HydrophobicContact CG-CD2 4.29Å
95	P	74	Confident	73.9	Confident	39 Å²	39	65.4 Å²	65.4	25%	0.253	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-63.1	151.8	175.8	-18.2	30.2	0	0	0	111.1	N93 R99 N100	N93-P95 VanDerWaalsContact O-CD 3.26Å; N93-P95 WeakPolarHBondContact O-CD 3.47Å; P95-R99 HydrophobicContact CB-CB 4.15Å; P95-N100 HydrophobicContact CB-CB 3.97Å
96	D	73.2	Confident	75.3	Confident	78 Å²	78	62.5 Å²	62.5	42%	0.417	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-61.2	160.2	170.2	69	71.8	0	0	0	111.1	Y98 R99 N100	D96-Y98 PolarHBondContact O-N 2.98Å; D96-Y98 WeakPolarHBondContact OD1-CA 3.21Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.46Å; D96-Y98 PolarHBondContact OD1-N 3.26Å; D96-R99 PolarHBondContact O-N 3.36Å; D96-R99 PolarHBondContact OD1-N 2.78Å; D96-R99 WeakPolarHBondContact OD2-CD 3.25Å; D96-R99 WeakPolarHBondContact OD2-CG 3.38Å; D96-R99 IonicContact OD2-NE 3.24Å; D96-R99 PolarHBondContact OD2-NE 3.07Å; D96-N100 VanDerWaalsContact O-CB 3.24Å; D96-N100 WeakPolarHBondContact O-CB 3.29Å; D96-N100 PolarHBondContact O-N 3.3Å
97	S	69.8	Low	76.2	Confident	110 Å²	110	59.2 Å²	59.2	77%	0.769	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	-173.7	57.8	0	0	0	0	114.8
98	Y	65.6	Low	76.9	Confident	185 Å²	185	60.2 Å²	60.2	73%	0.725	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-34.7	178.8	178.8	-98.5	0	0	0	111.6	D96	D96-Y98 PolarHBondContact O-N 2.98Å; D96-Y98 WeakPolarHBondContact OD1-CA 3.21Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.46Å; D96-Y98 PolarHBondContact OD1-N 3.26Å
99	R	69.2	Low	77.1	Confident	109 Å²	109	67.4 Å²	67.4	41%	0.411	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-19.6	177.5	-63.1	-176.4	-173.6	-178.9	-0.1	113.6	P95 D96 I101	P95-R99 HydrophobicContact CB-CB 4.15Å; D96-R99 PolarHBondContact O-N 3.36Å; D96-R99 PolarHBondContact OD1-N 2.78Å; D96-R99 WeakPolarHBondContact OD2-CD 3.25Å; D96-R99 WeakPolarHBondContact OD2-CG 3.38Å; D96-R99 IonicContact OD2-NE 3.24Å; D96-R99 PolarHBondContact OD2-NE 3.07Å; R99-I101 PolarHBondContact O-N 2.96Å
100	N	72.5	Confident	77.2	Confident	14 Å²	14	63.6 Å²	63.6	8%	0.075	33%	0.332	C	S	.	.			trans	-78.3	53	-178.5	-162.7	9	0	0	0	112.8	P95 D96 G102 L103 E104	P95-N100 HydrophobicContact CB-CB 3.97Å; D96-N100 VanDerWaalsContact O-CB 3.24Å; D96-N100 WeakPolarHBondContact O-CB 3.29Å; D96-N100 PolarHBondContact O-N 3.3Å; N100-G102 PolarHBondContact O-N 3.05Å; N100-L103 PolarHBondContact O-N 2.92Å; N100-L103 PolarHBondContact OD1-N 3.15Å; N100-E104 PolarHBondContact ND2-N 3Å; N100-E104 PolarHBondContact ND2-O 2.74Å; N100-E104 PolarHBondContact OD1-N 2.89Å
101	I	70.6	Confident	77.1	Confident	38 Å²	38	64.1 Å²	64.1	20%	0.195	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.2	-179	61.1	172.6	0	0	0	111.7	R99 L103 F119 Y141 L176 V178	R99-I101 PolarHBondContact O-N 2.96Å; I101-L103 PolarHBondContact O-N 3.3Å; I101-F119 HydrophobicContact CB-CZ 4.46Å; I101-F119 HydrophobicContact CD1-CE1 4.08Å; I101-F119 HydrophobicContact CG1-CE1 4.21Å; I101-F119 HydrophobicContact CG1-CZ 4.29Å; I101-F119 WeakPolarHBondContact O-CZ 3.39Å; I101-Y141 HydrophobicContact CD1-CE2 3.75Å; I101-Y141 HydrophobicContact CG1-CE2 3.84Å; I101-Y141 WeakPolarHBondContact CG1-OH 3.5Å; I101-L176 HydrophobicContact CB-CD2 3.48Å; I101-L176 VanDerWaalsContact CB-CD2 3.48Å; I101-L176 HydrophobicContact CG2-CD2 3.73Å; I101-V178 WeakPolarHBondContact O-CG2 3.4Å
102	G	72.3	Confident	76.7	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.4	174	0	0	0	0	0	115.1	N100 E104 Y146	N100-G102 PolarHBondContact O-N 3.05Å; G102-E104 PolarHBondContact O-N 3.25Å; G102-Y146 PolarHBondContact O-OH 3.49Å
103	L	75.5	Confident	76.5	Confident	28 Å²	28	60.4 Å²	60.4	15%	0.147	31%	0.305	C	S	.	.			trans	55.6	36.5	-176.9	-58.6	170	0	0	0	112.6	N100 I101 Y165 V178	N100-L103 PolarHBondContact O-N 2.92Å; N100-L103 PolarHBondContact OD1-N 3.15Å; I101-L103 PolarHBondContact O-N 3.3Å; L103-Y165 HydrophobicContact CB-CD1 3.8Å; L103-Y165 HydrophobicContact CB-CD2 4.21Å; L103-Y165 HydrophobicContact CB-CE1 3.69Å; L103-Y165 HydrophobicContact CB-CE2 4.12Å; L103-Y165 HydrophobicContact CB-CG 4.03Å; L103-Y165 HydrophobicContact CD1-CD1 3.46Å; L103-Y165 VanDerWaalsContact CD1-CD1 3.46Å; L103-Y165 HydrophobicContact CD1-CE1 4.13Å; L103-Y165 HydrophobicContact CD1-CG 3.75Å; L103-Y165 HydrophobicContact CD2-CD1 4.28Å; L103-Y165 HydrophobicContact CD2-CE1 4.19Å; L103-Y165 HydrophobicContact CG-CD1 4.03Å; L103-Y165 HydrophobicContact CG-CE1 4.2Å; L103-Y165 HydrophobicContact CG-CG 4.47Å; L103-Y165 WeakPolarHBondContact O-CE2 3.5Å; L103-Y165 PolarHBondContact O-OH 3.28Å; L103-V178 HydrophobicContact CD1-CB 4.3Å; L103-V178 HydrophobicContact CD1-CG2 3.88Å; L103-V178 HydrophobicContact CG-CG2 4.19Å
104	E	78.3	Confident	76.2	Confident	17 Å²	17	63.1 Å²	63.1	8%	0.079	32%	0.317	C	S	.	.			trans	-68.9	137.4	-179.7	-63.1	-174	-133.4	0	0	111.6	N100 G102 Y106 C145	N100-E104 PolarHBondContact ND2-N 3Å; N100-E104 PolarHBondContact ND2-O 2.74Å; N100-E104 PolarHBondContact OD1-N 2.89Å; G102-E104 PolarHBondContact O-N 3.25Å; E104-Y106 HydrophobicContact CB-CD2 4.24Å; E104-Y106 HydrophobicContact CB-CE2 3.72Å; E104-Y106 VanDerWaalsContact OE2-CE2 3.24Å; E104-Y106 WeakPolarHBondContact OE2-CE2 3.45Å; E104-Y106 PolarHBondContact OE2-OH 2.95Å; E104-C145 CarbonylContact C-O 3.52Å; E104-C145 VanDerWaalsContact CA-O 3.25Å; E104-C145 WeakPolarHBondContact CA-O 3.24Å; E104-C145 HydrophobicContact CB-CB 4.48Å; E104-C145 PolarHBondContact OE2-N 3.23Å
105	I	80.4	Confident	75.6	Confident	31 Å²	31	57.4 Å²	57.4	16%	0.159	30%	0.296	C	S	.	.			trans	-115.4	119.4	173.2	-51.1	178.1	0	0	0	106.8	S110 C145 Q147 Y165	I105-S110 WeakPolarHBondContact O-CB 3.29Å; I105-S110 PolarHBondContact O-OG 3.18Å; I105-C145 PolarHBondContact N-O 3.17Å; I105-C145 CarbonylContact O-C 3.57Å; I105-C145 WeakPolarHBondContact O-CB 3.36Å; I105-Q147 HydrophobicContact CD1-CB 4.41Å; I105-Y165 HydrophobicContact CD1-CE2 4.23Å; I105-Y165 WeakPolarHBondContact CD1-OH 3.09Å; I105-Y165 HydrophobicContact CG1-CE2 4.49Å; I105-Y165 WeakPolarHBondContact CG1-OH 3.37Å
106	Y	85	Confident	74.9	Confident	16 Å²	16	57.4 Å²	57.4	6%	0.063	30%	0.299	C	S	.	.			trans	-99.5	148.7	169.5	-69.3	-108.9	0	0	0	109.9	V87 C88 N90 N91 N93 R94 E104 C145	V87-Y106 WeakPolarHBondContact O-CD1 3.21Å; C88-Y106 CarbonylContact O-C 3.42Å; C88-Y106 WeakPolarHBondContact O-CA 3.42Å; N90-Y106 WeakPolarHBondContact O-CB 3.11Å; N91-Y106 PolarHBondContact OD1-O 3.28Å; N91-Y106 VanDerWaalsContact OD1-O 3.04Å; N93-Y106 HydrophobicContact CB-CD1 3.5Å; N93-Y106 VanDerWaalsContact CB-CD1 3.5Å; N93-Y106 HydrophobicContact CB-CE1 3.48Å; N93-Y106 VanDerWaalsContact CB-CE1 3.48Å; N93-Y106 HydrophobicContact CB-CG 4.2Å; R94-Y106 HydrophobicContact CB-CD2 4.09Å; R94-Y106 HydrophobicContact CB-CG 4.36Å; R94-Y106 HydrophobicContact CG-CD2 4.29Å; E104-Y106 HydrophobicContact CB-CD2 4.24Å; E104-Y106 HydrophobicContact CB-CE2 3.72Å; E104-Y106 VanDerWaalsContact OE2-CE2 3.24Å; E104-Y106 WeakPolarHBondContact OE2-CE2 3.45Å; E104-Y106 PolarHBondContact OE2-OH 2.95Å; Y106-C145 HydrophobicContact CD1-CB 4.28Å; Y106-C145 HydrophobicContact CD2-CB 4.05Å; Y106-C145 HydrophobicContact CE1-CB 4.1Å; Y106-C145 WeakPolarHBondContact CE1-SG 3.18Å; Y106-C145 HydrophobicContact CE2-CB 3.83Å; Y106-C145 HydrophobicContact CG-CB 4.26Å
107	G	84.7	Confident	74.3	Confident	7 Å²	7	55.6 Å²	55.6	7%	0.072	30%	0.299	C	S	.	.	S	Bend	trans	147.3	170.1	176.8	0	0	0	0	0	113	C88 D89 N91 R109 S110	C88-G107 PolarHBondContact O-N 3.34Å; D89-G107 WeakPolarHBondContact CA-O 3.5Å; D89-G107 CarbonylContact O-C 3.41Å; D89-G107 WeakPolarHBondContact O-CA 3.41Å; N91-G107 WeakPolarHBondContact OD1-CA 3.38Å; N91-G107 PolarHBondContact OD1-N 2.79Å; G107-R109 PolarHBondContact O-N 3.31Å; G107-S110 VanDerWaalsContact O-CB 3.3Å; G107-S110 WeakPolarHBondContact O-CB 3.2Å; G107-S110 PolarHBondContact O-N 3.33Å
108	S	87.5	Confident	73.8	Confident	97 Å²	97	52.4 Å²	52.4	68%	0.678	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-6.8	-178.1	62	0	0	0	0	118.9	D89	D89-S108 PolarHBondContact O-N 2.88Å; D89-S108 WeakPolarHBondContact OD1-CA 3.2Å; D89-S108 WeakPolarHBondContact OD1-CB 3.28Å; D89-S108 PolarHBondContact OD1-N 2.7Å
109	R	84.7	Confident	73.8	Confident	162 Å²	162	43.6 Å²	43.6	61%	0.611	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	5	175.4	-63.4	-175.5	179.6	172	-0.9	112.8	G107 Q147 K148	G107-R109 PolarHBondContact O-N 3.31Å; R109-Q147 HydrophobicContact CB-CG 3.99Å; R109-Q147 CarbonylContact O-C 3.54Å; R109-Q147 WeakPolarHBondContact O-CA 3.34Å; R109-K148 WeakPolarHBondContact O-CB 3.19Å; R109-K148 PolarHBondContact O-N 3.32Å
110	S	82.1	Confident	73.6	Confident	15 Å²	15	40.5 Å²	40.5	11%	0.105	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	141.8	-177.9	-65.3	0	0	0	0	111.3	C88 I105 G107 Y146	C88-S110 WeakPolarHBondContact O-CB 3.39Å; I105-S110 WeakPolarHBondContact O-CB 3.29Å; I105-S110 PolarHBondContact O-OG 3.18Å; G107-S110 VanDerWaalsContact O-CB 3.3Å; G107-S110 WeakPolarHBondContact O-CB 3.2Å; G107-S110 PolarHBondContact O-N 3.33Å; S110-Y146 CarbonylContact C-O 3.6Å; S110-Y146 WeakPolarHBondContact CA-O 3.3Å
111	I	76.8	Confident	73.4	Confident	74 Å²	74	40 Å²	40	38%	0.379	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151.1	175.7	56.6	168.6	0	0	0	108.5	C88 V113 Y146 K148 F151	C88-I111 VanDerWaalsContact SG-C 3.59Å; I111-V113 HydrophobicContact CD1-CG2 3.91Å; I111-V113 HydrophobicContact CG1-CG2 3.74Å; I111-Y146 PolarHBondContact N-O 3.32Å; I111-Y146 PolarHBondContact O-N 2.95Å; I111-K148 HydrophobicContact CG2-CB 4.46Å; I111-F151 HydrophobicContact CD1-CE2 3.96Å; I111-F151 HydrophobicContact CG1-CE2 4.05Å
112	C	75.9	Confident	73.2	Confident	87 Å²	87	40.6 Å²	40.6	59%	0.588	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74	126.3	170	-174.1	0	0	0	0	108.1	C88	C88-C112 WeakPolarHBondContact SG-CA 3.42Å; C88-C112 PolarHBondContact SG-N 3.18Å
113	V	74.6	Confident	73.1	Confident	13 Å²	13	44.2 Å²	44.2	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.7	179.5	-176.7	0	0	0	0	109.5	I111 A143 G144 Y146 F151 I182	I111-V113 HydrophobicContact CD1-CG2 3.91Å; I111-V113 HydrophobicContact CG1-CG2 3.74Å; V113-A143 CarbonylContact O-C 3.56Å; V113-A143 WeakPolarHBondContact O-CA 3.12Å; V113-G144 PolarHBondContact N-O 3.28Å; V113-G144 PolarHBondContact O-N 3.48Å; V113-Y146 HydrophobicContact CB-CD2 3.86Å; V113-Y146 HydrophobicContact CB-CE2 4.24Å; V113-Y146 HydrophobicContact CG2-CD2 4.11Å; V113-F151 HydrophobicContact CB-CZ 4.29Å; V113-F151 HydrophobicContact CG1-CZ 4.43Å; V113-F151 HydrophobicContact CG2-CE1 4.44Å; V113-F151 HydrophobicContact CG2-CE2 3.91Å; V113-F151 HydrophobicContact CG2-CZ 3.45Å; V113-F151 VanDerWaalsContact CG2-CZ 3.45Å; V113-I182 HydrophobicContact CG1-CD1 3.33Å; V113-I182 HydrophobicContact CG1-CG1 4.25Å; V113-I182 HydrophobicContact CG1-CG2 4.46Å
114	E	68.7	Low	72.9	Confident	75 Å²	75	45 Å²	45	35%	0.35	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	144.9	175.9	-56.8	-179.9	172	0	0	110.6	Y39 F40 I182	Y39-E114 WeakPolarHBondContact CD1-OE1 3.24Å; Y39-E114 VanDerWaalsContact CE1-OE1 3.28Å; Y39-E114 WeakPolarHBondContact CE1-OE1 3.35Å; F40-E114 HydrophobicContact CE1-CB 4.37Å; F40-E114 HydrophobicContact CE1-CG 3.87Å; F40-E114 VanDerWaalsContact CE1-OE1 3.29Å; F40-E114 WeakPolarHBondContact CE1-OE1 3.31Å; F40-E114 WeakPolarHBondContact CE1-OE2 3.19Å; F40-E114 VanDerWaalsContact CZ-CD 3.44Å; F40-E114 HydrophobicContact CZ-CG 3.76Å; F40-E114 VanDerWaalsContact CZ-OE1 3.25Å; F40-E114 WeakPolarHBondContact CZ-OE1 3.14Å; E114-I182 WeakPolarHBondContact O-CG1 3.35Å; E114-I182 VanDerWaalsContact O-CG2 3.25Å; E114-I182 WeakPolarHBondContact O-CG2 3.44Å
115	Q	66.1	Low	72.9	Confident	11 Å²	11	46.4 Å²	46.4	5%	0.051	26%	0.262	C	S	.	.			trans	-96.4	139.9	-179.5	-52.2	164.7	11.4	0	0	108.3	G117 Y141 G142 A143 W180	Q115-G117 VanDerWaalsContact C-N 3.27Å; Q115-G117 PolarHBondContact O-N 2.91Å; Q115-Y141 VanDerWaalsContact OE1-C 3.24Å; Q115-Y141 PolarHBondContact OE1-O 3.27Å; Q115-G142 WeakPolarHBondContact CB-O 3.44Å; Q115-G142 VanDerWaalsContact CD-C 3.45Å; Q115-G142 WeakPolarHBondContact CG-O 3.48Å; Q115-G142 PolarHBondContact N-O 3.22Å; Q115-A143 PolarHBondContact NE2-O 3.21Å; Q115-A143 VanDerWaalsContact NE2-O 3.16Å; Q115-W180 HydrophobicContact CB-CE3 4.14Å; Q115-W180 HydrophobicContact CB-CZ3 4.07Å; Q115-W180 VanDerWaalsContact CD-CH2 3.42Å; Q115-W180 HydrophobicContact CG-CE3 3.54Å; Q115-W180 HydrophobicContact CG-CH2 3.99Å; Q115-W180 HydrophobicContact CG-CZ3 3.2Å
116	A	58.7	Low	72.7	Confident	38 Å²	38	50.3 Å²	50.3	31%	0.314	29%	0.289	S	S	.	.	S	Bend	trans	-70.4	-25.4	176.4	0	0	0	0	0	113.6	L181 L183	A116-L181 WeakPolarHBondContact CA-O 3.47Å; A116-L181 HydrophobicContact CB-CB 3.74Å; A116-L181 WeakPolarHBondContact CB-O 3.14Å; A116-L181 PolarHBondContact N-O 2.8Å; A116-L183 HydrophobicContact CB-CB 3.8Å; A116-L183 HydrophobicContact CB-CD1 4.11Å; A116-L183 HydrophobicContact CB-CG 4.15Å; A116-L183 VanDerWaalsContact CB-N 3.32Å
117	G	61	Low	72.6	Confident	41 Å²	41	53 Å²	53	42%	0.423	31%	0.308	S	S	.	.	S	Bend	trans	-157.3	179.9	-166.7	0	0	0	0	0	110.8	Q115 F119	Q115-G117 VanDerWaalsContact C-N 3.27Å; Q115-G117 PolarHBondContact O-N 2.91Å; G117-F119 PolarHBondContact O-N 3.11Å
118	I	58.7	Low	71.8	Confident	43 Å²	43	59.5 Å²	59.5	22%	0.221	33%	0.331	C	S	.	.			trans	-57.3	134.7	-175	-60.8	166	0	0	0	110.1	A45 L47 I120 F137	A45-I118 HydrophobicContact CB-CD1 3.72Å; A45-I118 HydrophobicContact CB-CG1 3.81Å; L47-I118 HydrophobicContact CD2-CD1 4.47Å; I118-I120 PolarHBondContact O-N 3.19Å; I118-F137 HydrophobicContact CG2-CB 4.01Å; I118-F137 HydrophobicContact CG2-CD1 4.01Å
119	F	67.1	Low	71.2	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	128.7	170.3	175.3	-101.2	0	0	0	111.2	I101 G117 A121 F137 D138 Y141 V178 W180	I101-F119 HydrophobicContact CB-CZ 4.46Å; I101-F119 HydrophobicContact CD1-CE1 4.08Å; I101-F119 HydrophobicContact CG1-CE1 4.21Å; I101-F119 HydrophobicContact CG1-CZ 4.29Å; I101-F119 WeakPolarHBondContact O-CZ 3.39Å; G117-F119 PolarHBondContact O-N 3.11Å; F119-A121 HydrophobicContact CD1-CB 4.38Å; F119-A121 HydrophobicContact CE1-CB 3.62Å; F119-A121 HydrophobicContact CZ-CB 4.2Å; F119-F137 WeakPolarHBondContact O-CA 3.3Å; F119-D138 HydrophobicContact CB-CB 4.38Å; F119-D138 HydrophobicContact CD1-CB 3.57Å; F119-D138 HydrophobicContact CE1-CB 4.36Å; F119-D138 HydrophobicContact CG-CB 4.42Å; F119-D138 PolarHBondContact O-N 2.87Å; F119-Y141 VanDerWaalsContact CB-CB 3.44Å; F119-Y141 HydrophobicContact CB-CG 4.21Å; F119-Y141 HydrophobicContact CD1-CD2 4.05Å; F119-Y141 HydrophobicContact CD1-CG 4.2Å; F119-Y141 HydrophobicContact CD2-CG 4.43Å; F119-Y141 HydrophobicContact CE1-CD2 4.34Å; F119-Y141 HydrophobicContact CG-CD2 4.35Å; F119-Y141 HydrophobicContact CG-CG 4.03Å; F119-V178 HydrophobicContact CD2-CG1 3.66Å; F119-V178 HydrophobicContact CE2-CB 3.98Å; F119-V178 HydrophobicContact CE2-CG1 3.25Å; F119-V178 HydrophobicContact CE2-CG2 3.45Å; F119-V178 VanDerWaalsContact CE2-CG2 3.45Å; F119-V178 HydrophobicContact CZ-CG1 4.21Å; F119-V178 HydrophobicContact CZ-CG2 3.63Å; F119-W180 HydrophobicContact CB-CZ3 4.38Å; F119-W180 AromaticContact CD2-CH2 3.17Å; F119-W180 HydrophobicContact CD2-CH2 3.17Å; F119-W180 AromaticContact CD2-CZ2 3.87Å; F119-W180 HydrophobicContact CD2-CZ2 3.87Å; F119-W180 AromaticContact CD2-CZ3 3.48Å; F119-W180 HydrophobicContact CD2-CZ3 3.48Å; F119-W180 VanDerWaalsContact CD2-CZ3 3.48Å; F119-W180 AromaticContact CE2-CH2 3.54Å; F119-W180 HydrophobicContact CE2-CH2 3.54Å; F119-W180 AromaticContact CE2-CZ2 3.79Å; F119-W180 HydrophobicContact CE2-CZ2 3.79Å; F119-W180 HydrophobicContact CE2-CZ3 4.24Å; F119-W180 HydrophobicContact CG-CH2 4.3Å; F119-W180 HydrophobicContact CG-CZ3 4.41Å
120	I	64.8	Low	71	Confident	44 Å²	44	60.1 Å²	60.1	23%	0.226	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	107.3	176.6	-49.9	178.6	0	0	0	108.3	I118 T135 F137	I118-I120 PolarHBondContact O-N 3.19Å; I120-T135 HydrophobicContact CG2-CG2 4.12Å; I120-F137 HydrophobicContact CD1-CD1 4.23Å; I120-F137 HydrophobicContact CD1-CE1 3.67Å; I120-F137 HydrophobicContact CG1-CD1 3.79Å; I120-F137 HydrophobicContact CG1-CE1 3.75Å; I120-F137 HydrophobicContact CG2-CE1 4.44Å
121	A	67.7	Low	70.4	Confident	4 Å²	4	63.9 Å²	63.9	3%	0.033	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.4	167.8	0	0	0	0	0	110.2	F119 T135 R136 L176	F119-A121 HydrophobicContact CD1-CB 4.38Å; F119-A121 HydrophobicContact CE1-CB 3.62Å; F119-A121 HydrophobicContact CZ-CB 4.2Å; A121-T135 CarbonylContact O-C 3.51Å; A121-T135 WeakPolarHBondContact O-CA 3.21Å; A121-R136 HydrophobicContact CB-CB 4.29Å; A121-R136 PolarHBondContact N-O 2.96Å; A121-R136 PolarHBondContact O-N 3.29Å; A121-L176 HydrophobicContact CB-CD2 3.53Å; A121-L176 HydrophobicContact CB-CG 4.41Å
122	M	66.8	Low	70.4	Confident	49 Å²	49	64.7 Å²	64.7	24%	0.241	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.8	171.7	-64.2	-179.2	-173.3	0	0	109.9	I133 T135 L176 S177	M122-I133 HydrophobicContact CB-CG2 3.76Å; M122-I133 HydrophobicContact CG-CG2 4.26Å; M122-T135 HydrophobicContact CG-CG2 4.32Å; M122-L176 WeakPolarHBondContact O-CA 3.31Å; M122-L176 WeakPolarHBondContact O-CG 3.41Å; M122-S177 WeakPolarHBondContact CB-O 3.12Å; M122-S177 PolarHBondContact N-O 2.88Å; M122-S177 PolarHBondContact O-N 3.08Å
123	E	69.5	Low	70.1	Confident	77 Å²	77	64.6 Å²	64.6	36%	0.36	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.8	179.7	-171	172.3	176	0	0	110.4	L125 I133 Q134 R136 L176	E123-L125 PolarHBondContact O-N 3.3Å; E123-I133 CarbonylContact O-C 3.53Å; E123-I133 WeakPolarHBondContact O-CA 3.48Å; E123-Q134 PolarHBondContact N-O 2.81Å; E123-Q134 PolarHBondContact O-N 2.76Å; E123-R136 IonicContact OE2-NH2 2.69Å; E123-R136 PolarHBondContact OE2-NH2 2.91Å; E123-L176 HydrophobicContact CB-CD1 4.4Å; E123-L176 HydrophobicContact CG-CD1 4.49Å
124	C	71.9	Confident	70.1	Confident	44 Å²	44	68.9 Å²	68.9	30%	0.297	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.7	173.7	-69	0	0	0	0	109.7	C170	C124-C170 HydrophobicContact CB-CB 4.09Å; C124-C170 WeakPolarHBondContact CB-SG 3.29Å; C124-C170 WeakPolarHBondContact SG-CB 3.34Å; C124-C170 CovalentContact SG-SG 2.06Å; C124-C170 PolarHBondContact SG-SG 3.43Å
125	L	78.7	Confident	70	Confident	46 Å²	46	68.6 Å²	68.6	24%	0.241	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-78.8	141.9	178.5	-69.6	-177.9	0	0	0	111.9	E123 P127 L132 Q134	E123-L125 PolarHBondContact O-N 3.3Å; L125-P127 CarbonylContact O-C 3.56Å; L125-L132 HydrophobicContact CB-CB 4.14Å; L125-L132 HydrophobicContact CB-CD2 4.02Å; L125-L132 HydrophobicContact CB-CG 4.17Å; L125-L132 HydrophobicContact CD1-CD2 3.54Å; L125-L132 HydrophobicContact CD1-CG 3.89Å; L125-L132 HydrophobicContact CG-CD2 4.39Å; L125-L132 HydrophobicContact CG-CG 4.49Å; L125-L132 PolarHBondContact N-O 3.07Å; L125-Q134 HydrophobicContact CD1-CB 3.93Å; L125-Q134 HydrophobicContact CD2-CB 3.98Å; L125-Q134 HydrophobicContact CG-CB 3.87Å
126	P	76.6	Confident	70	Confident	114 Å²	114	74.6 Å²	74.6	74%	0.74	40%	0.396	S	S	*	.	S	Bend	trans	-67.3	150.4	168.4	-18.6	31.7	0	0	0	112.4
127	P	81.1	Confident	70.3	Confident	71 Å²	71	77 Å²	77	46%	0.461	40%	0.399	S	S	.	.	S	Bend	cis	-76.5	136.1	-11.9	31.6	-32.8	0	0	0	110.9	L125 M129 L130	L125-P127 CarbonylContact O-C 3.56Å; P127-M129 HydrophobicContact CB-CG 4.08Å; P127-M129 HydrophobicContact CG-CG 4.15Å; P127-M129 PolarHBondContact O-N 2.84Å; P127-L130 HydrophobicContact CG-CD1 3.86Å; P127-L130 HydrophobicContact CG-CG 4.01Å; P127-L130 PolarHBondContact O-N 3.3Å
128	R	68	Low	70.3	Confident	145 Å²	145	76.4 Å²	76.4	55%	0.547	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-53.7	-27.6	-173.5	-67.1	-175	179.6	176.6	-2.1	114.2	L130 N131	R128-L130 PolarHBondContact O-N 3.29Å; R128-L130 VanDerWaalsContact O-N 3.12Å; R128-N131 PolarHBondContact O-N 3.05Å
129	M	75.9	Confident	70.4	Confident	158 Å²	158	78.4 Å²	78.4	78%	0.778	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-57.8	-21.9	176.9	66.4	-174.5	-77.3	0	0	114.4	P127 N131	P127-M129 HydrophobicContact CB-CG 4.08Å; P127-M129 HydrophobicContact CG-CG 4.15Å; P127-M129 PolarHBondContact O-N 2.84Å; M129-N131 VanDerWaalsContact C-N 3.32Å
130	L	79.2	Confident	69.9	Low	114 Å²	114	83.2 Å²	83.2	60%	0.597	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-84.5	-6.4	178.5	-61.9	-178.9	0	0	0	113.2	P127 R128 L132	P127-L130 HydrophobicContact CG-CD1 3.86Å; P127-L130 HydrophobicContact CG-CG 4.01Å; P127-L130 PolarHBondContact O-N 3.3Å; R128-L130 PolarHBondContact O-N 3.29Å; R128-L130 VanDerWaalsContact O-N 3.12Å; L130-L132 PolarHBondContact O-N 3.45Å; L130-L132 VanDerWaalsContact O-N 3.1Å
131	N	71	Confident	69.9	Low	93 Å²	93	82 Å²	82	50%	0.497	42%	0.417	S	S	.	.			trans	49.7	33.2	-175.5	-63.5	-44.5	0	0	0	113.4	R128 M129	R128-N131 PolarHBondContact O-N 3.05Å; M129-N131 VanDerWaalsContact C-N 3.32Å
132	L	76.6	Confident	69.9	Low	91 Å²	91	82.5 Å²	82.5	48%	0.476	42%	0.423	S	S	.	.			trans	-80.5	134.1	179.4	-170.2	68.4	0	0	0	109.5	L125 L130	L125-L132 HydrophobicContact CB-CB 4.14Å; L125-L132 HydrophobicContact CB-CD2 4.02Å; L125-L132 HydrophobicContact CB-CG 4.17Å; L125-L132 HydrophobicContact CD1-CD2 3.54Å; L125-L132 HydrophobicContact CD1-CG 3.89Å; L125-L132 HydrophobicContact CG-CD2 4.39Å; L125-L132 HydrophobicContact CG-CG 4.49Å; L125-L132 PolarHBondContact N-O 3.07Å; L130-L132 PolarHBondContact O-N 3.45Å; L130-L132 VanDerWaalsContact O-N 3.1Å
133	I	69.9	Low	70.2	Confident	85 Å²	85	81.8 Å²	81.8	44%	0.436	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.1	-179.7	-62.1	170.9	0	0	0	108.4	M122 E123	M122-I133 HydrophobicContact CB-CG2 3.76Å; M122-I133 HydrophobicContact CG-CG2 4.26Å; E123-I133 CarbonylContact O-C 3.53Å; E123-I133 WeakPolarHBondContact O-CA 3.48Å
134	Q	73.4	Confident	70.5	Confident	103 Å²	103	78.3 Å²	78.3	48%	0.481	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.8	165.9	-176.6	173.9	5.4	0	0	109.3	E123 L125	E123-Q134 PolarHBondContact N-O 2.81Å; E123-Q134 PolarHBondContact O-N 2.76Å; L125-Q134 HydrophobicContact CD1-CB 3.93Å; L125-Q134 HydrophobicContact CD2-CB 3.98Å; L125-Q134 HydrophobicContact CG-CB 3.87Å
135	T	68	Low	71	Confident	70 Å²	70	76.4 Å²	76.4	43%	0.429	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.7	169.5	47.8	0	0	0	0	109.9	I120 A121 M122	I120-T135 HydrophobicContact CG2-CG2 4.12Å; A121-T135 CarbonylContact O-C 3.51Å; A121-T135 WeakPolarHBondContact O-CA 3.21Å; M122-T135 HydrophobicContact CG-CG2 4.32Å
136	R	65.5	Low	71.1	Confident	136 Å²	136	74.8 Å²	74.8	51%	0.513	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.8	170.2	-173.5	-163.8	-60.8	-160.7	4.2	108	A121 E123	A121-R136 HydrophobicContact CB-CB 4.29Å; A121-R136 PolarHBondContact N-O 2.96Å; A121-R136 PolarHBondContact O-N 3.29Å; E123-R136 IonicContact OE2-NH2 2.69Å; E123-R136 PolarHBondContact OE2-NH2 2.91Å
137	F	65.4	Low	71.3	Confident	89 Å²	89	72.3 Å²	72.3	39%	0.39	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131	170.4	-61.6	-83.2	0	0	0	108.8	E48 I118 F119 I120	E48-F137 HydrophobicContact CG-CE2 4.46Å; E48-F137 HydrophobicContact CG-CZ 4.36Å; E48-F137 VanDerWaalsContact OE1-CE2 3.23Å; E48-F137 WeakPolarHBondContact OE1-CE2 3.25Å; E48-F137 WeakPolarHBondContact OE1-CZ 3.49Å; I118-F137 HydrophobicContact CG2-CB 4.01Å; I118-F137 HydrophobicContact CG2-CD1 4.01Å; F119-F137 WeakPolarHBondContact O-CA 3.3Å; I120-F137 HydrophobicContact CD1-CD1 4.23Å; I120-F137 HydrophobicContact CD1-CE1 3.67Å; I120-F137 HydrophobicContact CG1-CD1 3.79Å; I120-F137 HydrophobicContact CG1-CE1 3.75Å; I120-F137 HydrophobicContact CG2-CE1 4.44Å
138	D	61.1	Low	70.9	Confident	28 Å²	28	75.5 Å²	75.5	15%	0.15	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.7	172.6	-157.5	-39.8	0	0	0	109.4	F119 M140 Y141	F119-D138 HydrophobicContact CB-CB 4.38Å; F119-D138 HydrophobicContact CD1-CB 3.57Å; F119-D138 HydrophobicContact CE1-CB 4.36Å; F119-D138 HydrophobicContact CG-CB 4.42Å; F119-D138 PolarHBondContact O-N 2.87Å; D138-M140 VanDerWaalsContact C-N 3.28Å; D138-M140 WeakPolarHBondContact OD1-CA 3.43Å; D138-M140 WeakPolarHBondContact OD1-CB 3.43Å; D138-M140 WeakPolarHBondContact OD1-CG 3.26Å; D138-M140 PolarHBondContact OD1-N 3.08Å; D138-Y141 HydrophobicContact CB-CD2 3.99Å
139	T	59.8	Low	71	Confident	86 Å²	86	74.3 Å²	74.3	53%	0.528	38%	0.377	S	S	.	.	S	Bend	trans	-85.9	-1.5	177.9	58.8	0	0	0	0	112.5	W71	W71-T139 WeakPolarHBondContact CH2-O 3.47Å; W71-T139 WeakPolarHBondContact CZ3-O 3.25Å
140	M	58.1	Low	70.4	Confident	100 Å²	100	67.3 Å²	67.3	49%	0.493	35%	0.346	S	S	.	.	S	Bend	trans	-90.4	-20.5	178.4	-54.7	-170	82.7	0	0	112.4	W71 V74 D138	W71-M140 WeakPolarHBondContact CZ3-O 3.31Å; V74-M140 HydrophobicContact CB-CE 4.29Å; V74-M140 HydrophobicContact CG1-CE 3.41Å; V74-M140 VanDerWaalsContact CG1-CE 3.41Å; V74-M140 HydrophobicContact CG1-SD 4.34Å; V74-M140 HydrophobicContact CG2-CB 4.38Å; V74-M140 HydrophobicContact CG2-CE 3.84Å; D138-M140 VanDerWaalsContact C-N 3.28Å; D138-M140 WeakPolarHBondContact OD1-CA 3.43Å; D138-M140 WeakPolarHBondContact OD1-CB 3.43Å; D138-M140 WeakPolarHBondContact OD1-CG 3.26Å; D138-M140 PolarHBondContact OD1-N 3.08Å
141	Y	64.8	Low	69.5	Low	18 Å²	18	63.4 Å²	63.4	7%	0.071	32%	0.324	C	S	.	.			trans	-84.3	118.2	173.4	-81.3	-93.1	0	0	0	110	L76 I101 Q115 F119 D138	L76-Y141 HydrophobicContact CD1-CE2 4.09Å; I101-Y141 HydrophobicContact CD1-CE2 3.75Å; I101-Y141 HydrophobicContact CG1-CE2 3.84Å; I101-Y141 WeakPolarHBondContact CG1-OH 3.5Å; Q115-Y141 VanDerWaalsContact OE1-C 3.24Å; Q115-Y141 PolarHBondContact OE1-O 3.27Å; F119-Y141 VanDerWaalsContact CB-CB 3.44Å; F119-Y141 HydrophobicContact CB-CG 4.21Å; F119-Y141 HydrophobicContact CD1-CD2 4.05Å; F119-Y141 HydrophobicContact CD1-CG 4.2Å; F119-Y141 HydrophobicContact CD2-CG 4.43Å; F119-Y141 HydrophobicContact CE1-CD2 4.34Å; F119-Y141 HydrophobicContact CG-CD2 4.35Å; F119-Y141 HydrophobicContact CG-CG 4.03Å; D138-Y141 HydrophobicContact CB-CD2 3.99Å
142	G	65.9	Low	68.6	Low	16 Å²	16	61.9 Å²	61.9	17%	0.165	32%	0.318	C	S	.	.	S	Bend	trans	-126.2	-16.5	172	0	0	0	0	0	113.6	Q115	Q115-G142 WeakPolarHBondContact CB-O 3.44Å; Q115-G142 VanDerWaalsContact CD-C 3.45Å; Q115-G142 WeakPolarHBondContact CG-O 3.48Å; Q115-G142 PolarHBondContact N-O 3.22Å
143	A	73.4	Confident	67.3	Low	34 Å²	34	62.3 Å²	62.3	28%	0.281	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	168.6	174.7	0	0	0	0	0	109.8	V113 Q115	V113-A143 CarbonylContact O-C 3.56Å; V113-A143 WeakPolarHBondContact O-CA 3.12Å; Q115-A143 PolarHBondContact NE2-O 3.21Å; Q115-A143 VanDerWaalsContact NE2-O 3.16Å
144	G	76.8	Confident	66.3	Low	4 Å²	4	61 Å²	61	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	165.9	171.7	0	0	0	0	0	112.5	V113 Y146	V113-G144 PolarHBondContact N-O 3.28Å; V113-G144 PolarHBondContact O-N 3.48Å; G144-Y146 VanDerWaalsContact C-CE2 3.42Å; G144-Y146 WeakPolarHBondContact O-CD2 3.49Å; G144-Y146 VanDerWaalsContact O-CE2 3.25Å; G144-Y146 WeakPolarHBondContact O-CE2 3.39Å
145	C	81.1	Confident	65.1	Low	4 Å²	4	62.1 Å²	62.1	3%	0.027	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.3	-179.8	-64.9	0	0	0	0	112.1	C88 E104 I105 Y106	C88-C145 WeakPolarHBondContact CA-SG 2.73Å; C88-C145 HydrophobicContact CB-CB 3.6Å; C88-C145 WeakPolarHBondContact CB-SG 3.3Å; C88-C145 WeakPolarHBondContact SG-CA 3.44Å; C88-C145 WeakPolarHBondContact SG-CB 3.49Å; C88-C145 CovalentContact SG-SG 2.03Å; C88-C145 PolarHBondContact SG-SG 3.47Å; E104-C145 CarbonylContact C-O 3.52Å; E104-C145 VanDerWaalsContact CA-O 3.25Å; E104-C145 WeakPolarHBondContact CA-O 3.24Å; E104-C145 HydrophobicContact CB-CB 4.48Å; E104-C145 PolarHBondContact OE2-N 3.23Å; I105-C145 PolarHBondContact N-O 3.17Å; I105-C145 CarbonylContact O-C 3.57Å; I105-C145 WeakPolarHBondContact O-CB 3.36Å; Y106-C145 HydrophobicContact CD1-CB 4.28Å; Y106-C145 HydrophobicContact CD2-CB 4.05Å; Y106-C145 HydrophobicContact CE1-CB 4.1Å; Y106-C145 WeakPolarHBondContact CE1-SG 3.18Å; Y106-C145 HydrophobicContact CE2-CB 3.83Å; Y106-C145 HydrophobicContact CG-CB 4.26Å
146	Y	81.4	Confident	64.2	Low	11 Å²	11	66.1 Å²	66.1	4%	0.043	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	154	177.2	-48.1	-80.4	0	0	0	112.1	G102 S110 I111 V113 G144 K148 F151 W180	G102-Y146 PolarHBondContact O-OH 3.49Å; S110-Y146 CarbonylContact C-O 3.6Å; S110-Y146 WeakPolarHBondContact CA-O 3.3Å; I111-Y146 PolarHBondContact N-O 3.32Å; I111-Y146 PolarHBondContact O-N 2.95Å; V113-Y146 HydrophobicContact CB-CD2 3.86Å; V113-Y146 HydrophobicContact CB-CE2 4.24Å; V113-Y146 HydrophobicContact CG2-CD2 4.11Å; G144-Y146 VanDerWaalsContact C-CE2 3.42Å; G144-Y146 WeakPolarHBondContact O-CD2 3.49Å; G144-Y146 VanDerWaalsContact O-CE2 3.25Å; G144-Y146 WeakPolarHBondContact O-CE2 3.39Å; Y146-K148 PolarHBondContact O-N 3.12Å; Y146-F151 VanDerWaalsContact CB-CZ 3.47Å; Y146-F151 HydrophobicContact CD2-CZ 4.12Å; Y146-F151 HydrophobicContact CG-CE1 4.44Å; Y146-F151 HydrophobicContact CG-CZ 4.11Å; Y146-W180 HydrophobicContact CE1-CZ2 4.2Å; Y146-W180 AromaticContact CZ-CE2 3.85Å; Y146-W180 AromaticContact CZ-CZ2 3.61Å; Y146-W180 VanDerWaalsContact OH-CH2 3.3Å; Y146-W180 WeakPolarHBondContact OH-CH2 3.44Å; Y146-W180 WeakPolarHBondContact OH-CZ2 3.2Å
147	Q	80.5	Confident	62.7	Low	62 Å²	62	64.8 Å²	64.8	29%	0.29	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	126.8	180	-170.3	172.7	-5.5	0	0	111.4	I105 R109 N149 G150 F151	I105-Q147 HydrophobicContact CD1-CB 4.41Å; R109-Q147 HydrophobicContact CB-CG 3.99Å; R109-Q147 CarbonylContact O-C 3.54Å; R109-Q147 WeakPolarHBondContact O-CA 3.34Å; Q147-N149 PolarHBondContact O-N 3.05Å; Q147-G150 PolarHBondContact O-N 3.33Å; Q147-F151 WeakPolarHBondContact O-CD2 3.28Å; Q147-F151 WeakPolarHBondContact O-CE2 3.4Å
148	K	72.6	Confident	61.3	Low	139 Å²	139	66 Å²	66	60%	0.604	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-29.5	179.2	-174	176.2	179.7	177.5	0	114.3	R109 I111 Y146 F151	R109-K148 WeakPolarHBondContact O-CB 3.19Å; R109-K148 PolarHBondContact O-N 3.32Å; I111-K148 HydrophobicContact CG2-CB 4.46Å; Y146-K148 PolarHBondContact O-N 3.12Å; K148-F151 WeakPolarHBondContact O-CD2 3.48Å
149	N	70.7	Confident	60.3	Low	119 Å²	119	65.9 Å²	65.9	64%	0.636	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-5.4	-179.4	-63.7	-3.2	0	0	0	113.9	Q147 F151	Q147-N149 PolarHBondContact O-N 3.05Å; N149-F151 PolarHBondContact O-N 3.5Å
150	G	63	Low	59.3	Low	11 Å²	11	64.3 Å²	64.3	11%	0.113	37%	0.365	C	S	.	.	S	Bend	trans	-79.8	1.2	174.8	0	0	0	0	0	113.1	Q147 D164	Q147-G150 PolarHBondContact O-N 3.33Å; G150-D164 VanDerWaalsContact CA-OD2 3.28Å; G150-D164 WeakPolarHBondContact CA-OD2 3.37Å
151	F	60.8	Low	58.6	Low	33 Å²	33	61.8 Å²	61.8	15%	0.145	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.5	-178.6	-64.2	-54.7	0	0	0	110.5	I111 V113 Y146 Q147 K148 N149 I160 A162	I111-F151 HydrophobicContact CD1-CE2 3.96Å; I111-F151 HydrophobicContact CG1-CE2 4.05Å; V113-F151 HydrophobicContact CB-CZ 4.29Å; V113-F151 HydrophobicContact CG1-CZ 4.43Å; V113-F151 HydrophobicContact CG2-CE1 4.44Å; V113-F151 HydrophobicContact CG2-CE2 3.91Å; V113-F151 HydrophobicContact CG2-CZ 3.45Å; V113-F151 VanDerWaalsContact CG2-CZ 3.45Å; Y146-F151 VanDerWaalsContact CB-CZ 3.47Å; Y146-F151 HydrophobicContact CD2-CZ 4.12Å; Y146-F151 HydrophobicContact CG-CE1 4.44Å; Y146-F151 HydrophobicContact CG-CZ 4.11Å; Q147-F151 WeakPolarHBondContact O-CD2 3.28Å; Q147-F151 WeakPolarHBondContact O-CE2 3.4Å; K148-F151 WeakPolarHBondContact O-CD2 3.48Å; N149-F151 PolarHBondContact O-N 3.5Å; F151-I160 HydrophobicContact CB-CG2 3.46Å; F151-I160 VanDerWaalsContact CB-CG2 3.46Å; F151-I160 HydrophobicContact CD1-CB 4.44Å; F151-I160 HydrophobicContact CD1-CG2 3.21Å; F151-I160 HydrophobicContact CE1-CG2 4.08Å; F151-I160 HydrophobicContact CG-CG2 3.58Å; F151-A162 HydrophobicContact CD1-CB 4.37Å; F151-A162 HydrophobicContact CE1-CB 4.45Å
152	V	52.5	Low	57.6	Low	61 Å²	61	61.8 Å²	61.8	37%	0.37	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.8	169.6	-178.2	0	0	0	0	107.5	E154 N161 K163	V152-E154 PolarHBondContact O-N 3.13Å; V152-N161 PolarHBondContact N-O 3.32Å; V152-N161 PolarHBondContact O-N 3Å; V152-K163 HydrophobicContact CB-CB 4.23Å; V152-K163 HydrophobicContact CB-CD 4.08Å; V152-K163 HydrophobicContact CG1-CD 4.23Å; V152-K163 HydrophobicContact CG2-CB 3.83Å; V152-K163 HydrophobicContact CG2-CD 4.01Å
153	C	49.4	Very low	56.6	Low	99 Å²	99	65.6 Å²	65.6	67%	0.669	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	115.2	169.8	-60.1	0	0	0	0	108.4
154	E	48.5	Very low	55.1	Low	58 Å²	58	69.1 Å²	69.1	27%	0.271	38%	0.384	S	S	.	.			trans	-86.1	130.9	169.7	-71.7	-177	-178.6	0	0	108.8	V152 D156 M157 N161 K163	V152-E154 PolarHBondContact O-N 3.13Å; E154-D156 PolarHBondContact O-N 2.69Å; E154-M157 PolarHBondContact O-N 2.83Å; E154-M157 WeakPolarHBondContact OE2-CE 3.43Å; E154-N161 HydrophobicContact CG-CB 4.49Å; E154-N161 PolarHBondContact OE1-ND2 2.96Å; E154-K163 WeakPolarHBondContact OE1-CE 3.48Å; E154-K163 IonicContact OE1-NZ 2.74Å; E154-K163 PolarHBondContact OE1-NZ 3.33Å
155	P	48.3	Very low	53.8	Low	126 Å²	126	71.7 Å²	71.7	82%	0.818	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.5	-167.6	20.2	-30.1	0	0	0	115.2
156	D	49.6	Very low	52.1	Low	155 Å²	155	76.2 Å²	76.2	83%	0.829	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	10.1	-174.2	-58.1	-45.4	0	0	0	114.1	E154	E154-D156 PolarHBondContact O-N 2.69Å
157	M	33.1	Very low	50.2	Low	108 Å²	108	79.3 Å²	79.3	53%	0.532	44%	0.442	S	S	.	.			trans	-119.5	126	171.9	-94	-167.6	-79.7	0	0	110.7	E154 G159	E154-M157 PolarHBondContact O-N 2.83Å; E154-M157 WeakPolarHBondContact OE2-CE 3.43Å; M157-G159 PolarHBondContact O-N 3.16Å
158	P	36.5	Very low	48.4	Very low	114 Å²	114	78.5 Å²	78.5	74%	0.74	44%	0.443	S	S	*	.	S	Bend	trans	-74	73.7	165.7	31.6	-29.8	0	0	0	108
159	G	39.3	Very low	47.3	Very low	26 Å²	26	76.9 Å²	76.9	27%	0.268	45%	0.447	S	S	.	.	S	Bend	trans	177	135	-177.4	0	0	0	0	0	111.1	M157 N161 I182	M157-G159 PolarHBondContact O-N 3.16Å; G159-N161 PolarHBondContact O-N 3.44Å; G159-I182 WeakPolarHBondContact CA-O 3.3Å
160	I	39.1	Very low	46.5	Very low	52 Å²	52	72.1 Å²	72.1	27%	0.267	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	119.3	175.6	-60	171.8	0	0	0	108	F151 A162 I182	F151-I160 HydrophobicContact CB-CG2 3.46Å; F151-I160 VanDerWaalsContact CB-CG2 3.46Å; F151-I160 HydrophobicContact CD1-CB 4.44Å; F151-I160 HydrophobicContact CD1-CG2 3.21Å; F151-I160 HydrophobicContact CE1-CG2 4.08Å; F151-I160 HydrophobicContact CG-CG2 3.58Å; I160-A162 PolarHBondContact O-N 3.49Å; I160-I182 HydrophobicContact CB-CD1 4.3Å
161	N	44.5	Very low	45.8	Very low	47 Å²	47	75.3 Å²	75.3	25%	0.251	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	100.8	169.4	-169	-23.1	0	0	0	107.7	V152 E154 G159 K163	V152-N161 PolarHBondContact N-O 3.32Å; V152-N161 PolarHBondContact O-N 3Å; E154-N161 HydrophobicContact CG-CB 4.49Å; E154-N161 PolarHBondContact OE1-ND2 2.96Å; G159-N161 PolarHBondContact O-N 3.44Å; N161-K163 PolarHBondContact O-N 3.3Å
162	A	43.5	Very low	45.2	Very low	18 Å²	18	75.4 Å²	75.4	15%	0.149	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	83.4	169.4	0	0	0	0	0	108.6	F151 I160 D164	F151-A162 HydrophobicContact CD1-CB 4.37Å; F151-A162 HydrophobicContact CE1-CB 4.45Å; I160-A162 PolarHBondContact O-N 3.49Å; A162-D164 PolarHBondContact O-N 3.06Å; A162-D164 VanDerWaalsContact O-N 3.14Å
163	K	43.6	Very low	44.7	Very low	97 Å²	97	83.5 Å²	83.5	42%	0.422	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-0.6	-172.3	-122.9	172.2	-169.6	157	0	114.2	V152 E154 N161	V152-K163 HydrophobicContact CB-CB 4.23Å; V152-K163 HydrophobicContact CB-CD 4.08Å; V152-K163 HydrophobicContact CG1-CD 4.23Å; V152-K163 HydrophobicContact CG2-CB 3.83Å; V152-K163 HydrophobicContact CG2-CD 4.01Å; E154-K163 WeakPolarHBondContact OE1-CE 3.48Å; E154-K163 IonicContact OE1-NZ 2.74Å; E154-K163 PolarHBondContact OE1-NZ 3.33Å; N161-K163 PolarHBondContact O-N 3.3Å
164	D	42.8	Very low	44.3	Very low	108 Å²	108	82.2 Å²	82.2	58%	0.578	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-0.9	179	-72.3	-23.5	0	0	0	114.4	G150 A162	G150-D164 VanDerWaalsContact CA-OD2 3.28Å; G150-D164 WeakPolarHBondContact CA-OD2 3.37Å; A162-D164 PolarHBondContact O-N 3.06Å; A162-D164 VanDerWaalsContact O-N 3.14Å
165	Y	48.8	Very low	44.2	Very low	57 Å²	57	85.6 Å²	85.6	22%	0.224	50%	0.499	C	S	.	.			trans	-133.4	31.9	-178.5	-66.5	-63.9	0	0	0	114.9	L103 I105	L103-Y165 HydrophobicContact CB-CD1 3.8Å; L103-Y165 HydrophobicContact CB-CD2 4.21Å; L103-Y165 HydrophobicContact CB-CE1 3.69Å; L103-Y165 HydrophobicContact CB-CE2 4.12Å; L103-Y165 HydrophobicContact CB-CG 4.03Å; L103-Y165 HydrophobicContact CD1-CD1 3.46Å; L103-Y165 VanDerWaalsContact CD1-CD1 3.46Å; L103-Y165 HydrophobicContact CD1-CE1 4.13Å; L103-Y165 HydrophobicContact CD1-CG 3.75Å; L103-Y165 HydrophobicContact CD2-CD1 4.28Å; L103-Y165 HydrophobicContact CD2-CE1 4.19Å; L103-Y165 HydrophobicContact CG-CD1 4.03Å; L103-Y165 HydrophobicContact CG-CE1 4.2Å; L103-Y165 HydrophobicContact CG-CG 4.47Å; L103-Y165 WeakPolarHBondContact O-CE2 3.5Å; L103-Y165 PolarHBondContact O-OH 3.28Å; I105-Y165 HydrophobicContact CD1-CE2 4.23Å; I105-Y165 WeakPolarHBondContact CD1-OH 3.09Å; I105-Y165 HydrophobicContact CG1-CE2 4.49Å; I105-Y165 WeakPolarHBondContact CG1-OH 3.37Å
166	T	45.1	Very low	44	Very low	100 Å²	100	81.7 Å²	81.7	61%	0.613	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-65.9	134.3	170.6	36.2	0	0	0	0	111.6	S168	T166-S168 PolarHBondContact O-N 3.22Å
167	P	41.7	Very low	43.8	Very low	76 Å²	76	74.9 Å²	74.9	49%	0.494	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-51.8	125.1	178.7	7	-18.5	0	0	0	111.8	S177	P167-S177 VanDerWaalsContact CB-OG 3.25Å; P167-S177 WeakPolarHBondContact CB-OG 3.14Å; P167-S177 VanDerWaalsContact CD-OG 3.3Å; P167-S177 WeakPolarHBondContact CD-OG 3.41Å; P167-S177 WeakPolarHBondContact CG-OG 3.07Å
168	S	44.1	Very low	44.5	Very low	45 Å²	45	70.1 Å²	70.1	32%	0.315	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-70.5	133.2	149.5	59.5	0	0	0	0	107.4	T166 G172 S174	T166-S168 PolarHBondContact O-N 3.22Å; S168-G172 PolarHBondContact OG-O 3.18Å; S168-S174 PolarHBondContact OG-OG 3.27Å
169	P	49.4	Very low	45.1	Very low	105 Å²	105	71 Å²	71	68%	0.682	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-46.9	148.9	160.6	-20.6	30.1	0	0	0	108.6	G171 G172	P169-G171 PolarHBondContact O-N 2.8Å; P169-G172 PolarHBondContact O-N 3.44Å
170	C	53.8	Low	45.6	Very low	19 Å²	19	71.3 Å²	71.3	13%	0.128	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	15.2	-175.2	-59.8	0	0	0	0	115.7	C124	C124-C170 HydrophobicContact CB-CB 4.09Å; C124-C170 WeakPolarHBondContact CB-SG 3.29Å; C124-C170 WeakPolarHBondContact SG-CB 3.34Å; C124-C170 CovalentContact SG-SG 2.06Å; C124-C170 PolarHBondContact SG-SG 3.43Å
171	G	47.5	Very low	45.9	Very low	77 Å²	77	74 Å²	74	79%	0.794	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	21.5	173.2	0	0	0	0	0	116.5	P169	P169-G171 PolarHBondContact O-N 2.8Å
172	G	47.6	Very low	46	Very low	35 Å²	35	72.8 Å²	72.8	36%	0.361	41%	0.405	S	S	.	.	S	Bend	trans	-143.4	134.5	164	0	0	0	0	0	108.7	S168 P169 S174	S168-G172 PolarHBondContact OG-O 3.18Å; P169-G172 PolarHBondContact O-N 3.44Å; G172-S174 PolarHBondContact O-N 3.33Å; G172-S174 PolarHBondContact O-OG 2.8Å
173	Y	41.6	Very low	45.8	Very low	231 Å²	231	76.8 Å²	76.8	91%	0.906	42%	0.424	S	S	*	.	S	Bend	trans	-53.3	89.1	-172.3	-65.6	-97.5	0	0	0	113.5
174	S	41.9	Very low	45.8	Very low	73 Å²	73	76.5 Å²	76.5	51%	0.51	44%	0.439	S	S	.	.			trans	-151.5	126.7	170.7	-12.5	0	0	0	0	110.7	S168 G172	S168-S174 PolarHBondContact OG-OG 3.27Å; G172-S174 PolarHBondContact O-N 3.33Å; G172-S174 PolarHBondContact O-OG 2.8Å
175	H	47.3	Very low	45.4	Very low	128 Å²	128	79.7 Å²	79.7	59%	0.593	45%	0.45	S	S	*	.			trans	-78.6	132	174.2	-89.4	-114	0	0	0	109.8
176	L	42.2	Very low	44.8	Very low	45 Å²	45	81.7 Å²	81.7	24%	0.236	48%	0.479	C	S	.	.			trans	55.4	137.3	173	-109.5	86	0	0	0	117.5	I101 A121 M122 E123	I101-L176 HydrophobicContact CB-CD2 3.48Å; I101-L176 VanDerWaalsContact CB-CD2 3.48Å; I101-L176 HydrophobicContact CG2-CD2 3.73Å; A121-L176 HydrophobicContact CB-CD2 3.53Å; A121-L176 HydrophobicContact CB-CG 4.41Å; M122-L176 WeakPolarHBondContact O-CA 3.31Å; M122-L176 WeakPolarHBondContact O-CG 3.41Å; E123-L176 HydrophobicContact CB-CD1 4.4Å; E123-L176 HydrophobicContact CG-CD1 4.49Å
177	S	46.4	Very low	44.2	Very low	11 Å²	11	85.5 Å²	85.5	8%	0.077	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.1	167.6	162.1	0	0	0	0	109.9	M122 P167	M122-S177 WeakPolarHBondContact CB-O 3.12Å; M122-S177 PolarHBondContact N-O 2.88Å; M122-S177 PolarHBondContact O-N 3.08Å; P167-S177 VanDerWaalsContact CB-OG 3.25Å; P167-S177 WeakPolarHBondContact CB-OG 3.14Å; P167-S177 VanDerWaalsContact CD-OG 3.3Å; P167-S177 WeakPolarHBondContact CD-OG 3.41Å; P167-S177 WeakPolarHBondContact CG-OG 3.07Å
178	V	47.6	Very low	43.8	Very low	8 Å²	8	85 Å²	85	5%	0.048	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133	179.3	179.7	0	0	0	0	109.3	I101 L103 F119 W180	I101-V178 WeakPolarHBondContact O-CG2 3.4Å; L103-V178 HydrophobicContact CD1-CB 4.3Å; L103-V178 HydrophobicContact CD1-CG2 3.88Å; L103-V178 HydrophobicContact CG-CG2 4.19Å; F119-V178 HydrophobicContact CD2-CG1 3.66Å; F119-V178 HydrophobicContact CE2-CB 3.98Å; F119-V178 HydrophobicContact CE2-CG1 3.25Å; F119-V178 HydrophobicContact CE2-CG2 3.45Å; F119-V178 VanDerWaalsContact CE2-CG2 3.45Å; F119-V178 HydrophobicContact CZ-CG1 4.21Å; F119-V178 HydrophobicContact CZ-CG2 3.63Å; V178-W180 HydrophobicContact CG1-CD2 3.81Å; V178-W180 HydrophobicContact CG1-CE3 4.29Å; V178-W180 HydrophobicContact CG1-CG 4.26Å; V178-W180 HydrophobicContact CG1-CH2 4.01Å; V178-W180 HydrophobicContact CG1-CZ2 3.45Å; V178-W180 VanDerWaalsContact CG1-CZ2 3.45Å; V178-W180 HydrophobicContact CG1-CZ3 4.29Å
179	K	48.9	Very low	43.2	Very low	134 Å²	134	90.4 Å²	90.4	58%	0.583	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	119.8	169.8	-170.9	178.6	179.7	-175.4	0	109.5
180	W	49.6	Very low	42.4	Very low	32 Å²	32	92.5 Å²	92.5	12%	0.121	53%	0.533	C	S	.	.			trans	-99.3	131.7	173.5	-60.3	111.2	0	0	0	110.7	Q115 F119 Y146 V178	Q115-W180 HydrophobicContact CB-CE3 4.14Å; Q115-W180 HydrophobicContact CB-CZ3 4.07Å; Q115-W180 VanDerWaalsContact CD-CH2 3.42Å; Q115-W180 HydrophobicContact CG-CE3 3.54Å; Q115-W180 HydrophobicContact CG-CH2 3.99Å; Q115-W180 HydrophobicContact CG-CZ3 3.2Å; F119-W180 HydrophobicContact CB-CZ3 4.38Å; F119-W180 AromaticContact CD2-CH2 3.17Å; F119-W180 HydrophobicContact CD2-CH2 3.17Å; F119-W180 AromaticContact CD2-CZ2 3.87Å; F119-W180 HydrophobicContact CD2-CZ2 3.87Å; F119-W180 AromaticContact CD2-CZ3 3.48Å; F119-W180 HydrophobicContact CD2-CZ3 3.48Å; F119-W180 VanDerWaalsContact CD2-CZ3 3.48Å; F119-W180 AromaticContact CE2-CH2 3.54Å; F119-W180 HydrophobicContact CE2-CH2 3.54Å; F119-W180 AromaticContact CE2-CZ2 3.79Å; F119-W180 HydrophobicContact CE2-CZ2 3.79Å; F119-W180 HydrophobicContact CE2-CZ3 4.24Å; F119-W180 HydrophobicContact CG-CH2 4.3Å; F119-W180 HydrophobicContact CG-CZ3 4.41Å; Y146-W180 HydrophobicContact CE1-CZ2 4.2Å; Y146-W180 AromaticContact CZ-CE2 3.85Å; Y146-W180 AromaticContact CZ-CZ2 3.61Å; Y146-W180 VanDerWaalsContact OH-CH2 3.3Å; Y146-W180 WeakPolarHBondContact OH-CH2 3.44Å; Y146-W180 WeakPolarHBondContact OH-CZ2 3.2Å; V178-W180 HydrophobicContact CG1-CD2 3.81Å; V178-W180 HydrophobicContact CG1-CE3 4.29Å; V178-W180 HydrophobicContact CG1-CG 4.26Å; V178-W180 HydrophobicContact CG1-CH2 4.01Å; V178-W180 HydrophobicContact CG1-CZ2 3.45Å; V178-W180 VanDerWaalsContact CG1-CZ2 3.45Å; V178-W180 HydrophobicContact CG1-CZ3 4.29Å
181	L	46	Very low	41.3	Very low	108 Å²	108	98 Å²	98	57%	0.565	56%	0.56	S	S	*	*			trans	-105.3	140.1	148.5	-94	88.5	0	0	0	106.1	A116	A116-L181 WeakPolarHBondContact CA-O 3.47Å; A116-L181 HydrophobicContact CB-CB 3.74Å; A116-L181 WeakPolarHBondContact CB-O 3.14Å; A116-L181 PolarHBondContact N-O 2.8Å
182	I	45.8	Very low	40.4	Very low	21 Å²	21	100.7 Å²	100.7	11%	0.108	56%	0.555	C	S	.	*			trans	-131	117.2	172.1	-59.2	164.1	0	0	0	107.5	V113 E114 G159 I160	V113-I182 HydrophobicContact CG1-CD1 3.33Å; V113-I182 HydrophobicContact CG1-CG1 4.25Å; V113-I182 HydrophobicContact CG1-CG2 4.46Å; E114-I182 WeakPolarHBondContact O-CG1 3.35Å; E114-I182 VanDerWaalsContact O-CG2 3.25Å; E114-I182 WeakPolarHBondContact O-CG2 3.44Å; G159-I182 WeakPolarHBondContact CA-O 3.3Å; I160-I182 HydrophobicContact CB-CD1 4.3Å
183	L	39.2	Very low	39.6	Very low	103 Å²	103	106.9 Å²	106.9	54%	0.539	57%	0.572	S	S	.	*			trans	-106.8	90.5	-176.3	-98.6	159.2	0	0	0	107.7	A116	A116-L183 HydrophobicContact CB-CB 3.8Å; A116-L183 HydrophobicContact CB-CD1 4.11Å; A116-L183 HydrophobicContact CB-CG 4.15Å; A116-L183 VanDerWaalsContact CB-N 3.32Å
184	A	43.9	Very low	39.3	Very low	90 Å²	90	102.5 Å²	102.5	74%	0.744	56%	0.564	S	S	*	*			trans	-86.2	114.3	172.1	0	0	0	0	0	109.5	A186	A184-A186 PolarHBondContact O-N 2.87Å
185	H	35.5	Very low	38.8	Very low	175 Å²	175	106 Å²	106	81%	0.81	58%	0.576	S	S	*	*			trans	-74.8	115.1	173.4	-79.3	69.8	0	0	0	110
186	A	35.8	Very low	38.3	Very low	100 Å²	100	112.7 Å²	112.7	83%	0.826	61%	0.607	S	S	*	*			trans	-110.8	108.1	163.5	0	0	0	0	0	109.2	A184 G188	A184-A186 PolarHBondContact O-N 2.87Å; A186-G188 PolarHBondContact O-N 2.97Å
187	I	32.7	Very low	38.1	Very low	179 Å²	179	116.1 Å²	116.1	92%	0.918	63%	0.626	S	S	*	*			trans	-74.7	113.1	165.8	-61.2	171.8	0	0	0	106.8
188	G	32.9	Very low	37.6	Very low	67 Å²	67	121.6 Å²	121.6	69%	0.691	66%	0.655	S	S	*	*			trans	175.6	95.9	175.7	0	0	0	0	0	113.7	A186	A186-G188 PolarHBondContact O-N 2.97Å
189	N	31.4	Very low	37.1	Very low	158 Å²	158	127.9 Å²	127.9	85%	0.845	69%	0.688	S	S	*	*			trans	-37.5	134.1	170.8	-66.2	-57.7	0	0	0	114
190	L	33.8	Very low	36.4	Very low	149 Å²	149	127.6 Å²	127.6	78%	0.78	70%	0.695	S	S	*	*				173.4	121.2	113.5	-126	64.9	0	0	0	111.6
191	L	29.6	Very low	35.6	Very low	135 Å²	135	133.6 Å²	133.6	71%	0.707	73%	0.73	S	S	*	*			trans	53.4	122.2	130.2	-85	155.3	0	0	0	120.3
192	L	28.5	Very low	34.9	Very low	133 Å²	133	135.3 Å²	135.3	70%	0.696	74%	0.741	S	S	*	*			trans	79.1	118.8	135.1	-126.9	77.4	0	0	0	114.4
193	K	32.2	Very low	34.1	Very low	164 Å²	164	143.4 Å²	143.4	71%	0.713	79%	0.787	S	S	*	*				-175.3	124.7	66.5	-83.6	176	-176	177.3	0	108.1
194	L	33.5	Very low	33.7	Very low	139 Å²	139	146.5 Å²	146.5	73%	0.728	81%	0.806	S	S	*	*				69.8	108	111.7	-62.8	161.5	0	0	0	115.2
195	L	31.9	Very low	32.8	Very low	147 Å²	147	151.3 Å²	151.3	77%	0.77	81%	0.811	S	S	*	*				38.1	102.9	126.6	-68.3	147.1	0	0	0	116.2
196	H	36.3	Very low	32.6	Very low	269 Å²	269	149.1 Å²	149.1	100%	1.245	81%	0.811	S	S	*	*				-145.1	0	106.4	-86.2	87.4	0	0	0	108.7

Retrieved 196 of 196 residues in 109.5 ms (Link to these results)

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