G4VAS6_SCHMA Loading...

Membrane attack complex inhibition factor

AlphaFold DB , UniProt , Accession G4VAS6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 aa.

						>G4VAS6_SCHMA|G4VAS6
MKYTSQILLLILLIIVNLHCSFSLSCYECLNCPDPFENSSLVQTKHNCVWCAKLMVGDYKTPIRECTPNCTFEFWSKRYLSLSYYCCQTNYCNTSVKTCINHHMLTVIVVTLTCFFRVKMK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.7	Low	73.8	Confident	209 Å²	209	114.1 Å²	114.1	100%	1.03	57%	0.573	S	S	*	*				0	-8.4	0	-72.3	173.3	78.4	0	0	115.4	Y3 T4	M1-Y3 PolarHBondContact O-N 3.32Å; M1-T4 PolarHBondContact O-OG1 3.47Å
2	K	66.6	Low	73.7	Confident	166 Å²	166	112.2 Å²	112.2	72%	0.722	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-30.6	-173.1	-152.3	176.5	-179.8	-176.4	0	114.5
3	Y	73.9	Confident	73.2	Confident	159 Å²	159	106.8 Å²	106.8	62%	0.624	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-13.8	-177.1	-59.6	-75.3	0	0	0	114.5	M1 S5 Q6 I7	M1-Y3 PolarHBondContact O-N 3.32Å; Y3-S5 VanDerWaalsContact C-N 3.3Å; Y3-S5 PolarHBondContact O-N 3.42Å; Y3-Q6 PolarHBondContact O-N 2.91Å; Y3-I7 WeakPolarHBondContact O-CG1 3.3Å; Y3-I7 PolarHBondContact O-N 3.38Å
4	T	75.6	Confident	72.8	Confident	88 Å²	88	105 Å²	105	54%	0.54	53%	0.53	S	S	.	.	H	α-helix	trans	-61.9	-38.3	-176	43.9	0	0	0	0	112	M1 Q6 L8	M1-T4 PolarHBondContact O-OG1 3.47Å; T4-Q6 VanDerWaalsContact C-N 3.33Å; T4-Q6 PolarHBondContact O-N 2.95Å; T4-L8 WeakPolarHBondContact O-CB 3.42Å; T4-L8 PolarHBondContact O-N 2.97Å
5	S	73.9	Confident	72.4	Confident	88 Å²	88	103.9 Å²	103.9	62%	0.615	53%	0.525	S	S	*	.	H	α-helix	trans	-66.3	-33.2	175.1	-175.5	0	0	0	0	113	Y3 L9	Y3-S5 VanDerWaalsContact C-N 3.3Å; Y3-S5 PolarHBondContact O-N 3.42Å; S5-L9 WeakPolarHBondContact O-CB 3.33Å; S5-L9 PolarHBondContact O-N 3.4Å; S5-L9 VanDerWaalsContact O-N 3.14Å
6	Q	74.9	Confident	71.5	Confident	113 Å²	113	101.1 Å²	101.1	53%	0.528	51%	0.514	S	S	.	.	H	α-helix	trans	-75.4	-42.2	179.7	-67.8	177	-19.5	0	0	111.1	Y3 T4 L9 L10	Y3-Q6 PolarHBondContact O-N 2.91Å; T4-Q6 VanDerWaalsContact C-N 3.33Å; T4-Q6 PolarHBondContact O-N 2.95Å; Q6-L9 PolarHBondContact O-N 3.35Å; Q6-L10 WeakPolarHBondContact O-CB 3.26Å; Q6-L10 PolarHBondContact O-N 3.33Å
7	I	79.1	Confident	70.4	Confident	96 Å²	96	100.9 Å²	100.9	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-63.1	-45.2	175.4	-65.1	168.2	0	0	0	110.2	Y3 L9 L10 I11	Y3-I7 WeakPolarHBondContact O-CG1 3.3Å; Y3-I7 PolarHBondContact O-N 3.38Å; I7-L9 VanDerWaalsContact C-N 3.31Å; I7-L9 PolarHBondContact O-N 3.14Å; I7-L10 PolarHBondContact O-N 2.91Å; I7-I11 HydrophobicContact CG2-CD1 3.8Å; I7-I11 HydrophobicContact CG2-CG1 4.41Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.44Å; I7-I11 PolarHBondContact O-N 3.23Å
8	L	80.4	Confident	69.6	Low	104 Å²	104	101.2 Å²	101.2	55%	0.545	52%	0.517	S	S	.	.	H	α-helix	trans	-60.6	-41.6	177.4	-175.8	65.6	0	0	0	111.8	T4 I11 L12	T4-L8 WeakPolarHBondContact O-CB 3.42Å; T4-L8 PolarHBondContact O-N 2.97Å; L8-I11 PolarHBondContact O-N 2.97Å; L8-L12 HydrophobicContact CG-CD1 4.16Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 3.04Å
9	L	77.4	Confident	68.5	Low	49 Å²	49	103.1 Å²	103.1	26%	0.257	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-43.1	176.7	-173.6	66.3	0	0	0	111.9	S5 Q6 I7 I11 L12 L13 V110 C114	S5-L9 WeakPolarHBondContact O-CB 3.33Å; S5-L9 PolarHBondContact O-N 3.4Å; S5-L9 VanDerWaalsContact O-N 3.14Å; Q6-L9 PolarHBondContact O-N 3.35Å; I7-L9 VanDerWaalsContact C-N 3.31Å; I7-L9 PolarHBondContact O-N 3.14Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 3.1Å; L9-L13 HydrophobicContact CG-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.34Å; L9-L13 PolarHBondContact O-N 3.34Å; L9-V110 HydrophobicContact CD1-CG1 3.58Å; L9-V110 HydrophobicContact CD1-CG2 4.39Å; L9-V110 HydrophobicContact CD2-CG1 3.6Å; L9-V110 HydrophobicContact CG-CG1 3.83Å; L9-C114 WeakPolarHBondContact CD2-SG 3.41Å
10	L	76.5	Confident	67.7	Low	104 Å²	104	100.8 Å²	100.8	55%	0.545	52%	0.517	S	S	.	.	H	α-helix	trans	-61	-44	175.7	-176.8	68.6	0	0	0	111.1	Q6 I7 L13 I14	Q6-L10 WeakPolarHBondContact O-CB 3.26Å; Q6-L10 PolarHBondContact O-N 3.33Å; I7-L10 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 3.06Å; L10-I14 HydrophobicContact CD1-CD1 4.42Å; L10-I14 HydrophobicContact CG-CD1 3.95Å; L10-I14 WeakPolarHBondContact O-CB 3.45Å; L10-I14 VanDerWaalsContact O-CG1 3.24Å; L10-I14 WeakPolarHBondContact O-CG1 3.48Å; L10-I14 PolarHBondContact O-N 3.32Å
11	I	76.8	Confident	66.9	Low	79 Å²	79	98.4 Å²	98.4	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-62.6	-45.5	176.6	-68.4	168.3	0	0	0	110.6	I7 L8 L9 L13 I14 I15	I7-I11 HydrophobicContact CG2-CD1 3.8Å; I7-I11 HydrophobicContact CG2-CG1 4.41Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.44Å; I7-I11 PolarHBondContact O-N 3.23Å; L8-I11 PolarHBondContact O-N 2.97Å; L9-I11 VanDerWaalsContact C-N 3.34Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 2.94Å; I11-I14 PolarHBondContact O-N 3.09Å; I11-I15 HydrophobicContact CG2-CD1 3.63Å; I11-I15 HydrophobicContact CG2-CG1 4.26Å; I11-I15 WeakPolarHBondContact O-CB 3.24Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 3.47Å
12	L	72.4	Confident	67.2	Low	91 Å²	91	98.1 Å²	98.1	48%	0.476	50%	0.502	S	S	.	.	H	α-helix	trans	-60.6	-43.3	175.7	-79.8	162.4	0	0	0	111.6	L8 L9 I15 V16	L8-L12 HydrophobicContact CG-CD1 4.16Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 3.04Å; L9-L12 PolarHBondContact O-N 3.1Å; L12-I15 PolarHBondContact O-N 2.78Å; L12-V16 WeakPolarHBondContact O-CB 3.16Å; L12-V16 WeakPolarHBondContact O-CG2 3.34Å; L12-V16 PolarHBondContact O-N 3.4Å
13	L	67.7	Low	67.5	Low	42 Å²	42	92.6 Å²	92.6	22%	0.22	48%	0.484	C	S	.	.	H	α-helix	trans	-60.8	-46	174.3	-72.6	170.1	0	0	0	110.9	L9 L10 I11 V16 N17 V107 V110	L9-L13 HydrophobicContact CG-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.34Å; L9-L13 PolarHBondContact O-N 3.34Å; L10-L13 PolarHBondContact O-N 3.06Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 2.94Å; L13-V16 PolarHBondContact O-N 2.86Å; L13-N17 WeakPolarHBondContact O-CB 3.33Å; L13-N17 PolarHBondContact O-N 3.5Å; L13-N17 PolarHBondContact O-ND2 3.48Å; L13-V107 HydrophobicContact CD2-CG2 4.16Å; L13-V110 HydrophobicContact CD1-CG1 4.32Å; L13-V110 HydrophobicContact CD2-CG1 4.36Å
14	I	67.7	Low	68	Low	82 Å²	82	85 Å²	85	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-60.9	-47.4	177.1	-70	164.9	0	0	0	110.5	L10 I11 V16 N17 L18	L10-I14 HydrophobicContact CD1-CD1 4.42Å; L10-I14 HydrophobicContact CG-CD1 3.95Å; L10-I14 WeakPolarHBondContact O-CB 3.45Å; L10-I14 VanDerWaalsContact O-CG1 3.24Å; L10-I14 WeakPolarHBondContact O-CG1 3.48Å; L10-I14 PolarHBondContact O-N 3.32Å; I11-I14 PolarHBondContact O-N 3.09Å; I14-V16 PolarHBondContact O-N 3.38Å; I14-N17 CarbonylContact O-C 3.55Å; I14-N17 PolarHBondContact O-N 2.81Å; I14-L18 HydrophobicContact CG2-CD1 3.54Å; I14-L18 HydrophobicContact CG2-CG 4.08Å; I14-L18 WeakPolarHBondContact O-CB 3.28Å; I14-L18 VanDerWaalsContact O-CG 3.28Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.17Å
15	I	66	Low	68.8	Low	89 Å²	89	81.6 Å²	81.6	46%	0.456	43%	0.434	S	S	.	.	H	α-helix	trans	-60.9	-46.5	178.9	-69	167.7	0	0	0	110.6	I11 L12 N17 L18 H19	I11-I15 HydrophobicContact CG2-CD1 3.63Å; I11-I15 HydrophobicContact CG2-CG1 4.26Å; I11-I15 WeakPolarHBondContact O-CB 3.24Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 3.47Å; L12-I15 PolarHBondContact O-N 2.78Å; I15-N17 VanDerWaalsContact C-N 3.26Å; I15-N17 PolarHBondContact O-N 3.37Å; I15-L18 PolarHBondContact O-N 2.84Å; I15-L18 VanDerWaalsContact O-N 3.15Å; I15-H19 WeakPolarHBondContact O-CB 3.48Å; I15-H19 PolarHBondContact O-N 2.91Å
16	V	59.3	Low	69.7	Low	59 Å²	59	77.4 Å²	77.4	36%	0.358	41%	0.405	S	S	.	.	H	α-helix	trans	-62.6	-35	177.7	171.3	0	0	0	0	111.2	L12 L13 I14 H103	L12-V16 WeakPolarHBondContact O-CB 3.16Å; L12-V16 WeakPolarHBondContact O-CG2 3.34Å; L12-V16 PolarHBondContact O-N 3.4Å; L13-V16 PolarHBondContact O-N 2.86Å; I14-V16 PolarHBondContact O-N 3.38Å; V16-H103 PolarHBondContact O-CE1 3.22Å; V16-H103 VanDerWaalsContact O-CE1 3.25Å
17	N	52.5	Low	70.7	Confident	97 Å²	97	73.9 Å²	73.9	52%	0.519	39%	0.387	S	S	.	.	H	α-helix	trans	-75.7	-31	174.4	-76.2	-67.7	0	0	0	113.2	L13 I14 I15	L13-N17 WeakPolarHBondContact O-CB 3.33Å; L13-N17 PolarHBondContact O-N 3.5Å; L13-N17 PolarHBondContact O-ND2 3.48Å; I14-N17 CarbonylContact O-C 3.55Å; I14-N17 PolarHBondContact O-N 2.81Å; I15-N17 VanDerWaalsContact C-N 3.26Å; I15-N17 PolarHBondContact O-N 3.37Å
18	L	56.4	Low	71.4	Confident	107 Å²	107	71.1 Å²	71.1	56%	0.56	37%	0.372	S	S	*	.	H	α-helix	trans	-79.6	-18	178.1	-74.2	174.6	0	0	0	112.9	I14 I15 C20	I14-L18 HydrophobicContact CG2-CD1 3.54Å; I14-L18 HydrophobicContact CG2-CG 4.08Å; I14-L18 WeakPolarHBondContact O-CB 3.28Å; I14-L18 VanDerWaalsContact O-CG 3.28Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.17Å; I15-L18 PolarHBondContact O-N 2.84Å; I15-L18 VanDerWaalsContact O-N 3.15Å; L18-C20 PolarHBondContact O-N 2.71Å
19	H	47.7	Very low	72.1	Confident	137 Å²	137	66.7 Å²	66.7	63%	0.634	35%	0.35	S	S	*	.			trans	-77.8	30.1	-176.4	-145.5	-66.6	0	0	0	114.1	I15 S21	I15-H19 WeakPolarHBondContact O-CB 3.48Å; I15-H19 PolarHBondContact O-N 2.91Å; H19-S21 PolarHBondContact O-N 3.46Å
20	C	51.9	Low	72.7	Confident	57 Å²	57	70.1 Å²	70.1	39%	0.385	37%	0.368	S	S	.	.	S	Bend	trans	-76.9	98.4	152.8	-73.4	0	0	0	0	107	L18 F22	L18-C20 PolarHBondContact O-N 2.71Å; C20-F22 PolarHBondContact O-N 3.31Å
21	S	52.6	Low	73.3	Confident	51 Å²	51	68.9 Å²	68.9	36%	0.357	36%	0.362	S	S	.	.			trans	-40.8	126.2	-172.1	-46.3	0	0	0	0	114	H19 S23	H19-S21 PolarHBondContact O-N 3.46Å; S21-S23 PolarHBondContact O-N 2.86Å
22	F	62	Low	73.9	Confident	203 Å²	203	65.1 Å²	65.1	89%	0.89	34%	0.342	S	S	*	.	S	Bend	trans	-61.2	-13.7	-177.8	-72.6	-80.2	0	0	0	115.4	C20	C20-F22 PolarHBondContact O-N 3.31Å
23	S	73	Confident	74.7	Confident	49 Å²	49	62.1 Å²	62.1	34%	0.343	33%	0.328	S	S	.	.	S	Bend	trans	-149.7	111.5	177	169.1	0	0	0	0	109	S21 N47	S21-S23 PolarHBondContact O-N 2.86Å; S23-N47 WeakPolarHBondContact OG-CA 3.4Å; S23-N47 PolarHBondContact OG-N 3.04Å; S23-N47 PolarHBondContact OG-OD1 3.27Å
24	L	85.3	Confident	75.6	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	152.7	176.5	-54.6	169.6	0	0	0	110.5	H46 N47 C48 V49 Q88 N90	L24-H46 CarbonylContact O-C 3.54Å; L24-N47 PolarHBondContact O-N 3.39Å; L24-C48 HydrophobicContact CB-CB 4.02Å; L24-C48 VanDerWaalsContact CB-O 3.28Å; L24-C48 WeakPolarHBondContact CB-O 3.37Å; L24-C48 WeakPolarHBondContact CG-O 2.91Å; L24-C48 PolarHBondContact N-O 2.64Å; L24-C48 WeakPolarHBondContact O-CB 3.42Å; L24-C48 PolarHBondContact O-N 2.95Å; L24-V49 WeakPolarHBondContact CD1-O 3.44Å; L24-Q88 VanDerWaalsContact CD1-CA 3.45Å; L24-Q88 HydrophobicContact CD1-CB 3.97Å; L24-Q88 HydrophobicContact CD1-CG 4.36Å; L24-Q88 WeakPolarHBondContact CD2-O 3.3Å; L24-N90 WeakPolarHBondContact CA-OD1 3.26Å
25	S	91.8	Very high	76.5	Confident	16 Å²	16	66.3 Å²	66.3	11%	0.112	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.5	165.9	-52.7	0	0	0	0	109	K45 H46 N90 Y91	S25-K45 CarbonylContact C-O 3.44Å; S25-K45 VanDerWaalsContact CA-O 3.23Å; S25-K45 WeakPolarHBondContact CA-O 3.12Å; S25-H46 WeakPolarHBondContact CB-ND1 3.36Å; S25-H46 PolarHBondContact OG-ND1 3.06Å; S25-N90 PolarHBondContact N-OD1 2.92Å; S25-N90 CarbonylContact O-C 3.51Å; S25-N90 WeakPolarHBondContact O-CA 3.08Å; S25-Y91 VanDerWaalsContact CB-CZ 3.41Å; S25-Y91 WeakPolarHBondContact CB-OH 3.26Å; S25-Y91 PolarHBondContact O-N 3.06Å
26	C	93.5	Very high	77.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.9	-176.4	-54.7	0	0	0	0	110.7	T44 K45 C48 C51 C66	C26-T44 WeakPolarHBondContact O-CA 3.32Å; C26-K45 PolarHBondContact N-O 3.25Å; C26-K45 PolarHBondContact O-N 2.65Å; C26-C48 HydrophobicContact CB-CB 4.42Å; C26-C48 WeakPolarHBondContact SG-CB 2.94Å; C26-C51 VanDerWaalsContact CA-SG 3.53Å; C26-C51 HydrophobicContact CB-CB 3.67Å; C26-C51 WeakPolarHBondContact CB-SG 3.38Å; C26-C51 WeakPolarHBondContact SG-CA 3.23Å; C26-C51 WeakPolarHBondContact SG-CB 3.42Å; C26-C51 CovalentContact SG-SG 2.02Å; C26-C51 PolarHBondContact SG-SG 3.43Å; C26-C66 HydrophobicContact CB-CB 4.19Å
27	Y	94.4	Very high	78.7	Confident	39 Å²	39	68.2 Å²	68.2	15%	0.153	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	138.2	166.7	-65.9	-67.6	0	0	0	110.6	F36 V42 Q43 T44 R64 Y91 N93 T94	Y27-F36 AromaticContact CD1-CZ 3.91Å; Y27-F36 HydrophobicContact CD1-CZ 3.91Å; Y27-F36 HydrophobicContact CD2-CE1 4.27Å; Y27-F36 HydrophobicContact CD2-CE2 4.14Å; Y27-F36 AromaticContact CD2-CZ 3.59Å; Y27-F36 HydrophobicContact CD2-CZ 3.59Å; Y27-F36 HydrophobicContact CE1-CZ 4.05Å; Y27-F36 AromaticContact CE2-CE1 4Å; Y27-F36 HydrophobicContact CE2-CE1 4Å; Y27-F36 AromaticContact CE2-CZ 3.72Å; Y27-F36 HydrophobicContact CE2-CZ 3.72Å; Y27-F36 HydrophobicContact CG-CE2 4.09Å; Y27-F36 AromaticContact CG-CZ 3.67Å; Y27-F36 HydrophobicContact CG-CZ 3.67Å; Y27-F36 AromaticContact CZ-CZ 3.96Å; Y27-V42 HydrophobicContact CD1-CG1 3.45Å; Y27-V42 VanDerWaalsContact CD1-CG1 3.45Å; Y27-V42 HydrophobicContact CE1-CG1 4.29Å; Y27-V42 HydrophobicContact CG-CG1 3.94Å; Y27-Q43 CarbonylContact C-O 3.46Å; Y27-Q43 WeakPolarHBondContact CA-O 3.45Å; Y27-T44 HydrophobicContact CD1-CG2 3.72Å; Y27-T44 HydrophobicContact CE1-CG2 3.65Å; Y27-R64 CarbonylContact O-C 3.53Å; Y27-R64 WeakPolarHBondContact O-CB 3.43Å; Y27-Y91 HydrophobicContact CD1-CD1 4.27Å; Y27-Y91 AromaticContact CD2-CD1 3.93Å; Y27-Y91 HydrophobicContact CD2-CD1 3.93Å; Y27-Y91 HydrophobicContact CD2-CG 4.49Å; Y27-Y91 AromaticContact CE1-CD1 3.95Å; Y27-Y91 HydrophobicContact CE1-CD1 3.95Å; Y27-Y91 HydrophobicContact CE1-CE1 4.29Å; Y27-Y91 AromaticContact CE2-CD1 3.58Å; Y27-Y91 HydrophobicContact CE2-CD1 3.58Å; Y27-Y91 AromaticContact CE2-CG 3.86Å; Y27-Y91 HydrophobicContact CE2-CG 3.86Å; Y27-Y91 HydrophobicContact CG-CD1 4.28Å; Y27-Y91 AromaticContact CZ-CD1 3.58Å; Y27-N93 PolarHBondContact N-OD1 3.48Å; Y27-N93 PolarHBondContact O-ND2 2.94Å; Y27-T94 HydrophobicContact CD2-CG2 3.35Å; Y27-T94 HydrophobicContact CE2-CG2 3.13Å
28	E	95	Very high	80.1	Confident	39 Å²	39	69.3 Å²	69.3	18%	0.182	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.4	173.4	-70.3	-160.7	136.4	0	0	111	Q43 K45 R64 C66	E28-Q43 PolarHBondContact N-O 3.49Å; E28-Q43 PolarHBondContact O-N 3.03Å; E28-K45 HydrophobicContact CG-CB 4.09Å; E28-K45 HydrophobicContact CG-CD 4.35Å; E28-K45 WeakPolarHBondContact OE1-CD 3.36Å; E28-K45 IonicContact OE1-NZ 2.97Å; E28-K45 PolarHBondContact OE1-NZ 2.82Å; E28-K45 WeakPolarHBondContact OE2-CD 3.22Å; E28-K45 IonicContact OE2-NZ 3.46Å; E28-K45 PolarHBondContact OE2-NZ 2.91Å; E28-R64 VanDerWaalsContact CA-O 3.27Å; E28-R64 WeakPolarHBondContact CA-O 3.06Å; E28-C66 HydrophobicContact CG-CB 4.06Å; E28-C66 VanDerWaalsContact OE1-CB 3.3Å; E28-C66 WeakPolarHBondContact OE1-CB 3.44Å; E28-C66 PolarHBondContact OE1-N 3.42Å; E28-C66 VanDerWaalsContact OE1-N 3.1Å
29	C	94.1	Very high	81.4	Confident	11 Å²	11	65.8 Å²	65.8	7%	0.074	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-165.9	141.6	172	32.2	0	0	0	0	111.3	C32 L41 R64	C29-C32 HydrophobicContact CB-CB 4.05Å; C29-C32 WeakPolarHBondContact CB-SG 3.49Å; C29-C32 PolarHBondContact O-SG 2.97Å; C29-C32 WeakPolarHBondContact SG-CB 3.16Å; C29-C32 CovalentContact SG-SG 2.01Å; C29-C32 PolarHBondContact SG-SG 3.29Å; C29-L41 WeakPolarHBondContact CB-O 3.24Å; C29-R64 PolarHBondContact N-O 3.07Å; C29-R64 PolarHBondContact O-N 2.87Å; C29-R64 VanDerWaalsContact O-N 3.14Å
30	L	90.5	Very high	83.3	Confident	120 Å²	120	65.2 Å²	65.2	63%	0.628	36%	0.362	S	S	*	.	S	Bend	trans	-92.5	115.7	164.3	-65.3	170.4	0	0	0	106.3	I63	L30-I63 HydrophobicContact CD2-CD1 4.46Å; L30-I63 HydrophobicContact CD2-CG1 4.34Å; L30-I63 HydrophobicContact CD2-CG2 4.23Å
31	N	88.8	Confident	84.9	Confident	79 Å²	79	67.9 Å²	67.9	42%	0.422	37%	0.372	S	S	.	.	S	Bend	trans	68.9	60.1	-169	-51.9	-51.3	0	0	0	114.5	Y59 T61	N31-Y59 WeakPolarHBondContact OD1-CD1 3.39Å; N31-T61 WeakPolarHBondContact CA-OG1 3.49Å; N31-T61 VanDerWaalsContact CB-OG1 3.25Å; N31-T61 WeakPolarHBondContact CB-OG1 3.45Å; N31-T61 PolarHBondContact OD1-OG1 3.35Å
32	C	90.3	Very high	86.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.359	C	S	.	.			trans	-69	146.7	176.8	-53.4	0	0	0	0	111.8	C29 T61 P62 R64	C29-C32 HydrophobicContact CB-CB 4.05Å; C29-C32 WeakPolarHBondContact CB-SG 3.49Å; C29-C32 PolarHBondContact O-SG 2.97Å; C29-C32 WeakPolarHBondContact SG-CB 3.16Å; C29-C32 CovalentContact SG-SG 2.01Å; C29-C32 PolarHBondContact SG-SG 3.29Å; C32-T61 WeakPolarHBondContact O-CB 3.25Å; C32-P62 HydrophobicContact CB-CG 4.45Å; C32-P62 VanDerWaalsContact CB-O 3.32Å; C32-P62 WeakPolarHBondContact CB-O 3.42Å; C32-P62 PolarHBondContact N-O 3.41Å; C32-P62 PolarHBondContact SG-O 2.69Å; C32-R64 HydrophobicContact CB-CG 4.36Å; C32-R64 WeakPolarHBondContact SG-CB 3.35Å; C32-R64 VanDerWaalsContact SG-CG 3.52Å; C32-R64 PolarHBondContact SG-N 3.37Å
33	P	88.6	Confident	88.4	Confident	28 Å²	28	62.9 Å²	62.9	18%	0.182	35%	0.347	C	S	.	.			trans	-53.7	143.2	171.9	-24.3	33.4	0	0	0	112.6	P35 F36 E37 R64	P33-P35 CarbonylContact C-O 3.25Å; P33-P35 VanDerWaalsContact C-O 3.25Å; P33-F36 WeakPolarHBondContact O-CA 3.47Å; P33-E37 HydrophobicContact CB-CB 4.22Å; P33-R64 PolarHBondContact O-NH1 2.95Å; P33-R64 VanDerWaalsContact O-NH1 3.08Å
34	D	85.6	Confident	89.4	Confident	96 Å²	96	64 Å²	64	51%	0.513	35%	0.351	S	S	.	.	S	Bend	trans	-136.6	111.5	170	-153.8	24	0	0	0	109.1	P62	D34-P62 HydrophobicContact CB-CG 4.21Å
35	P	86.7	Confident	89.8	Confident	116 Å²	116	68 Å²	68	75%	0.753	37%	0.369	S	S	*	.	S	Bend	cis	-62.4	154.5	3.7	28.9	-35.7	0	0	0	112.7	P33 E37	P33-P35 CarbonylContact C-O 3.25Å; P33-P35 VanDerWaalsContact C-O 3.25Å; P35-E37 PolarHBondContact O-N 3.16Å
36	F	86.9	Confident	89.8	Confident	51 Å²	51	72 Å²	72	22%	0.224	39%	0.386	C	S	.	.			trans	-61.6	127.5	-178.1	-179.1	-96.2	0	0	0	111.1	Y27 P33 V42 R64 T94	Y27-F36 AromaticContact CD1-CZ 3.91Å; Y27-F36 HydrophobicContact CD1-CZ 3.91Å; Y27-F36 HydrophobicContact CD2-CE1 4.27Å; Y27-F36 HydrophobicContact CD2-CE2 4.14Å; Y27-F36 AromaticContact CD2-CZ 3.59Å; Y27-F36 HydrophobicContact CD2-CZ 3.59Å; Y27-F36 HydrophobicContact CE1-CZ 4.05Å; Y27-F36 AromaticContact CE2-CE1 4Å; Y27-F36 HydrophobicContact CE2-CE1 4Å; Y27-F36 AromaticContact CE2-CZ 3.72Å; Y27-F36 HydrophobicContact CE2-CZ 3.72Å; Y27-F36 HydrophobicContact CG-CE2 4.09Å; Y27-F36 AromaticContact CG-CZ 3.67Å; Y27-F36 HydrophobicContact CG-CZ 3.67Å; Y27-F36 AromaticContact CZ-CZ 3.96Å; P33-F36 WeakPolarHBondContact O-CA 3.47Å; F36-V42 HydrophobicContact CE2-CG1 4Å; F36-V42 HydrophobicContact CE2-CG2 4.19Å; F36-V42 HydrophobicContact CZ-CG1 4Å; F36-R64 VanDerWaalsContact CD2-CZ 3.46Å; F36-T94 WeakPolarHBondContact CB-O 3.5Å; F36-T94 HydrophobicContact CD1-CG2 3.56Å; F36-T94 HydrophobicContact CD2-CG2 4.42Å; F36-T94 HydrophobicContact CE1-CG2 3.39Å; F36-T94 HydrophobicContact CE2-CG2 4.26Å; F36-T94 HydrophobicContact CG-CG2 4.07Å; F36-T94 HydrophobicContact CZ-CG2 3.75Å
37	E	85.5	Confident	89.7	Confident	137 Å²	137	78.2 Å²	78.2	64%	0.64	42%	0.419	S	S	*	.			trans	-133.4	139.7	173.7	-174.1	173.2	-169.5	0	0	108.8	P33 P35 S39	P33-E37 HydrophobicContact CB-CB 4.22Å; P35-E37 PolarHBondContact O-N 3.16Å; E37-S39 VanDerWaalsContact C-N 3.35Å; E37-S39 PolarHBondContact O-N 2.94Å
38	N	80.8	Confident	89.5	Confident	119 Å²	119	76.5 Å²	76.5	64%	0.636	41%	0.412	S	S	*	.			trans	-75.7	90.3	176.3	-168.1	21.9	0	0	0	109.1
39	S	84.5	Confident	89.3	Confident	34 Å²	34	78.2 Å²	78.2	24%	0.238	43%	0.426	C	S	.	.			trans	-108.9	170.2	-179.6	65.5	0	0	0	0	110.9	E37 L41 V42	E37-S39 VanDerWaalsContact C-N 3.35Å; E37-S39 PolarHBondContact O-N 2.94Å; S39-L41 PolarHBondContact O-N 2.92Å; S39-L41 PolarHBondContact OG-N 3.47Å; S39-V42 PolarHBondContact O-N 3.37Å
40	S	87	Confident	89.1	Confident	124 Å²	124	81.3 Å²	81.3	87%	0.867	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.3	174.3	57.6	0	0	0	0	114.1	V42	S40-V42 VanDerWaalsContact C-N 3.32Å
41	L	86.5	Confident	89.2	Confident	113 Å²	113	75.6 Å²	75.6	59%	0.592	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-18.6	174.8	-61	175.1	0	0	0	112.5	C29 S39	C29-L41 WeakPolarHBondContact CB-O 3.24Å; S39-L41 PolarHBondContact O-N 2.92Å; S39-L41 PolarHBondContact OG-N 3.47Å
42	V	92.6	Very high	89.5	Confident	15 Å²	15	71.8 Å²	71.8	9%	0.091	39%	0.386	C	S	.	.			trans	-96.4	120.7	-175.5	-174.7	0	0	0	0	109.3	Y27 F36 S39 S40	Y27-V42 HydrophobicContact CD1-CG1 3.45Å; Y27-V42 VanDerWaalsContact CD1-CG1 3.45Å; Y27-V42 HydrophobicContact CE1-CG1 4.29Å; Y27-V42 HydrophobicContact CG-CG1 3.94Å; F36-V42 HydrophobicContact CE2-CG1 4Å; F36-V42 HydrophobicContact CE2-CG2 4.19Å; F36-V42 HydrophobicContact CZ-CG1 4Å; S39-V42 PolarHBondContact O-N 3.37Å; S40-V42 VanDerWaalsContact C-N 3.32Å
43	Q	94.9	Very high	89.7	Confident	134 Å²	134	73.1 Å²	73.1	63%	0.626	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	158.1	172.5	-63.2	-176.9	2.8	0	0	110	Y27 E28	Y27-Q43 CarbonylContact C-O 3.46Å; Y27-Q43 WeakPolarHBondContact CA-O 3.45Å; E28-Q43 PolarHBondContact N-O 3.49Å; E28-Q43 PolarHBondContact O-N 3.03Å
44	T	93.9	Very high	89.9	Confident	72 Å²	72	71.8 Å²	71.8	44%	0.442	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.2	170.8	55.3	0	0	0	0	110.1	C26 Y27 Y91	C26-T44 WeakPolarHBondContact O-CA 3.32Å; Y27-T44 HydrophobicContact CD1-CG2 3.72Å; Y27-T44 HydrophobicContact CE1-CG2 3.65Å; T44-Y91 HydrophobicContact CG2-CE1 3.79Å
45	K	94	Very high	90.3	Very high	84 Å²	84	70.8 Å²	70.8	37%	0.365	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.1	174.4	-175.5	163.4	162.3	-169.1	0	110.4	S25 C26 E28 C48 C66	S25-K45 CarbonylContact C-O 3.44Å; S25-K45 VanDerWaalsContact CA-O 3.23Å; S25-K45 WeakPolarHBondContact CA-O 3.12Å; C26-K45 PolarHBondContact N-O 3.25Å; C26-K45 PolarHBondContact O-N 2.65Å; E28-K45 HydrophobicContact CG-CB 4.09Å; E28-K45 HydrophobicContact CG-CD 4.35Å; E28-K45 WeakPolarHBondContact OE1-CD 3.36Å; E28-K45 IonicContact OE1-NZ 2.97Å; E28-K45 PolarHBondContact OE1-NZ 2.82Å; E28-K45 WeakPolarHBondContact OE2-CD 3.22Å; E28-K45 IonicContact OE2-NZ 3.46Å; E28-K45 PolarHBondContact OE2-NZ 2.91Å; K45-C48 PolarHBondContact O-SG 3.15Å; K45-C66 HydrophobicContact CB-CB 4.08Å; K45-C66 HydrophobicContact CD-CB 3.67Å; K45-C66 HydrophobicContact CG-CB 4.01Å
46	H	91.7	Very high	90.5	Very high	101 Å²	101	65.7 Å²	65.7	47%	0.468	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	169.7	-179.1	-56.4	-73.8	0	0	0	110.5	L24 S25 C48	L24-H46 CarbonylContact O-C 3.54Å; S25-H46 WeakPolarHBondContact CB-ND1 3.36Å; S25-H46 PolarHBondContact OG-ND1 3.06Å; H46-C48 VanDerWaalsContact C-N 3.28Å; H46-C48 PolarHBondContact O-N 2.92Å
47	N	90.5	Very high	90.4	Very high	131 Å²	131	66.1 Å²	66.1	70%	0.701	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	61.5	35.1	-178.9	-52.8	-44.3	0	0	0	113.9	S23 L24	S23-N47 WeakPolarHBondContact OG-CA 3.4Å; S23-N47 PolarHBondContact OG-N 3.04Å; S23-N47 PolarHBondContact OG-OD1 3.27Å; L24-N47 PolarHBondContact O-N 3.39Å
48	C	90.5	Very high	90.3	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.014	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	145	176.3	-56	0	0	0	0	111.3	L24 C26 K45 H46 C66	L24-C48 HydrophobicContact CB-CB 4.02Å; L24-C48 VanDerWaalsContact CB-O 3.28Å; L24-C48 WeakPolarHBondContact CB-O 3.37Å; L24-C48 WeakPolarHBondContact CG-O 2.91Å; L24-C48 PolarHBondContact N-O 2.64Å; L24-C48 WeakPolarHBondContact O-CB 3.42Å; L24-C48 PolarHBondContact O-N 2.95Å; C26-C48 HydrophobicContact CB-CB 4.42Å; C26-C48 WeakPolarHBondContact SG-CB 2.94Å; K45-C48 PolarHBondContact O-SG 3.15Å; H46-C48 VanDerWaalsContact C-N 3.28Å; H46-C48 PolarHBondContact O-N 2.92Å; C48-C66 WeakPolarHBondContact CA-SG 3.43Å; C48-C66 HydrophobicContact CB-CB 3.99Å; C48-C66 WeakPolarHBondContact CB-SG 3.31Å; C48-C66 WeakPolarHBondContact SG-CB 3.23Å; C48-C66 CovalentContact SG-SG 2.01Å; C48-C66 PolarHBondContact SG-SG 3.02Å
49	V	90.1	Very high	90.6	Very high	76 Å²	76	65.8 Å²	65.8	46%	0.461	36%	0.358	S	S	.	.	S	Bend	trans	-86.4	-36.2	171	-172.9	0	0	0	0	110.5	L24 Q88	L24-V49 WeakPolarHBondContact CD1-O 3.44Å; V49-Q88 PolarHBondContact O-NE2 2.78Å
50	W	91.9	Very high	90.7	Very high	75 Å²	75	74.1 Å²	74.1	28%	0.284	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.6	176.8	-61.2	88.2	0	0	0	110.7	T67 C70 C86 Q88	W50-T67 HydrophobicContact CB-CG2 3.65Å; W50-T67 HydrophobicContact CG-CG2 4.48Å; W50-T67 PolarHBondContact N-O 2.63Å; W50-T67 PolarHBondContact O-N 3.12Å; W50-C70 HydrophobicContact CB-CB 4.45Å; W50-C70 HydrophobicContact CD2-CB 3.86Å; W50-C70 HydrophobicContact CE3-CB 4.12Å; W50-C70 HydrophobicContact CG-CB 3.98Å; W50-C86 HydrophobicContact CB-CB 4.47Å; W50-C86 HydrophobicContact CD2-CB 4.47Å; W50-C86 HydrophobicContact CE3-CB 3.75Å; W50-C86 HydrophobicContact CZ3-CB 4.44Å; W50-Q88 HydrophobicContact CD2-CG 3.75Å; W50-Q88 HydrophobicContact CE3-CG 3.28Å; W50-Q88 HydrophobicContact CH2-CG 3.75Å; W50-Q88 HydrophobicContact CZ2-CG 4.16Å; W50-Q88 HydrophobicContact CZ3-CG 3.31Å
51	C	92.3	Very high	90.9	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.5	164	-52.6	0	0	0	0	108.9	C26 C86 C87 N93	C26-C51 VanDerWaalsContact CA-SG 3.53Å; C26-C51 HydrophobicContact CB-CB 3.67Å; C26-C51 WeakPolarHBondContact CB-SG 3.38Å; C26-C51 WeakPolarHBondContact SG-CA 3.23Å; C26-C51 WeakPolarHBondContact SG-CB 3.42Å; C26-C51 CovalentContact SG-SG 2.02Å; C26-C51 PolarHBondContact SG-SG 3.43Å; C51-C86 VanDerWaalsContact O-CA 3.28Å; C51-C86 WeakPolarHBondContact O-CA 3.28Å; C51-C87 PolarHBondContact N-O 2.85Å; C51-C87 PolarHBondContact O-N 2.97Å; C51-N93 HydrophobicContact CB-CB 3.82Å
52	A	94.4	Very high	91.2	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	148.5	-179.3	0	0	0	0	0	112	L54 R64 E65 T67 W75 Y85 N93	A52-L54 HydrophobicContact CB-CD2 4.35Å; A52-R64 VanDerWaalsContact O-CA 3.28Å; A52-R64 WeakPolarHBondContact O-CA 3.41Å; A52-E65 PolarHBondContact N-O 2.92Å; A52-E65 PolarHBondContact O-N 3.36Å; A52-T67 HydrophobicContact CB-CG2 4.15Å; A52-W75 HydrophobicContact CB-CH2 4.3Å; A52-W75 HydrophobicContact CB-CZ2 3.75Å; A52-Y85 CarbonylContact C-O 3.52Å; A52-Y85 VanDerWaalsContact CA-O 3.29Å; A52-Y85 WeakPolarHBondContact CA-O 2.82Å; A52-N93 PolarHBondContact O-ND2 2.83Å; A52-N93 VanDerWaalsContact O-ND2 3.15Å
53	K	93.8	Very high	91.2	Very high	28 Å²	28	64 Å²	64	12%	0.122	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.1	161.8	-179.9	-177.1	178.2	179.2	0	107.3	P62 I63 R64 Y84 Y85	K53-P62 HydrophobicContact CD-CB 4.35Å; K53-P62 VanDerWaalsContact CE-CB 3.46Å; K53-P62 HydrophobicContact CG-CB 3.96Å; K53-I63 CarbonylContact C-O 3.52Å; K53-I63 WeakPolarHBondContact CA-O 3.28Å; K53-R64 HydrophobicContact CG-CG 4.47Å; K53-Y84 WeakPolarHBondContact O-CA 3.43Å; K53-Y85 PolarHBondContact N-O 3.25Å; K53-Y85 PolarHBondContact O-N 2.91Å
54	L	93.9	Very high	91.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.2	179.8	-45.4	174.7	0	0	0	109.4	A52 V56 P62 I63 W75 Y79 L82 S83	A52-L54 HydrophobicContact CB-CD2 4.35Å; L54-V56 HydrophobicContact CB-CG2 4.31Å; L54-P62 CarbonylContact O-C 3.57Å; L54-P62 VanDerWaalsContact O-CA 3.27Å; L54-P62 WeakPolarHBondContact O-CA 3.06Å; L54-I63 HydrophobicContact CB-CB 4.2Å; L54-I63 HydrophobicContact CD1-CB 4.44Å; L54-I63 HydrophobicContact CD1-CG2 4.2Å; L54-I63 PolarHBondContact N-O 2.83Å; L54-I63 PolarHBondContact O-N 3.5Å; L54-W75 HydrophobicContact CD1-CD2 4.14Å; L54-W75 HydrophobicContact CD1-CE3 3.74Å; L54-W75 HydrophobicContact CD1-CH2 4.08Å; L54-W75 HydrophobicContact CD1-CZ2 4.44Å; L54-W75 HydrophobicContact CD1-CZ3 3.71Å; L54-W75 HydrophobicContact CD2-CD2 3.92Å; L54-W75 HydrophobicContact CD2-CE3 4.37Å; L54-W75 HydrophobicContact CD2-CG 4.3Å; L54-W75 HydrophobicContact CD2-CH2 4.41Å; L54-W75 HydrophobicContact CD2-CZ2 3.96Å; L54-Y79 HydrophobicContact CD1-CD2 4.4Å; L54-Y79 HydrophobicContact CD1-CE2 3.81Å; L54-L82 HydrophobicContact CD2-CD1 4.05Å; L54-S83 WeakPolarHBondContact CA-O 3.01Å
55	M	92.8	Very high	91.2	Very high	75 Å²	75	55.7 Å²	55.7	37%	0.369	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	106.5	164.3	-51.7	-66.5	-59.2	0	0	106.9	P62 L82 S83	M55-P62 HydrophobicContact SD-CB 3.68Å; M55-P62 HydrophobicContact SD-CG 4.43Å; M55-L82 CarbonylContact O-C 3.55Å; M55-L82 VanDerWaalsContact O-CA 3.29Å; M55-L82 WeakPolarHBondContact O-CA 3.34Å; M55-S83 WeakPolarHBondContact CB-OG 3.26Å; M55-S83 PolarHBondContact N-O 3.06Å; M55-S83 PolarHBondContact O-N 2.93Å
56	V	91.7	Very high	91.3	Very high	9 Å²	9	52.2 Å²	52.2	6%	0.055	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.7	179.1	-179.8	0	0	0	0	107.9	L54 D58 Y59 I63 Y79 L82	L54-V56 HydrophobicContact CB-CG2 4.31Å; V56-D58 VanDerWaalsContact C-N 3.25Å; V56-D58 PolarHBondContact O-N 3.01Å; V56-D58 VanDerWaalsContact O-N 3.13Å; V56-Y59 HydrophobicContact CB-CD2 3.69Å; V56-Y59 HydrophobicContact CB-CE2 4.36Å; V56-Y59 HydrophobicContact CB-CG 4.19Å; V56-Y59 HydrophobicContact CG1-CD2 3.59Å; V56-Y59 HydrophobicContact CG1-CE2 3.96Å; V56-Y59 PolarHBondContact O-N 3.47Å; V56-I63 HydrophobicContact CG2-CD1 3.9Å; V56-Y79 HydrophobicContact CB-CD1 4.36Å; V56-Y79 HydrophobicContact CG1-CD1 3.68Å; V56-Y79 HydrophobicContact CG1-CE1 4.37Å; V56-Y79 HydrophobicContact CG1-CG 4.15Å; V56-Y79 HydrophobicContact CG2-CD1 3.74Å; V56-Y79 HydrophobicContact CG2-CD2 4.11Å; V56-Y79 HydrophobicContact CG2-CE1 4.01Å; V56-Y79 HydrophobicContact CG2-CE2 4.36Å; V56-Y79 HydrophobicContact CG2-CG 3.79Å; V56-L82 HydrophobicContact CG2-CB 4.19Å
57	G	85.7	Confident	91.3	Very high	60 Å²	60	47.4 Å²	47.4	62%	0.619	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-36.4	-169.3	0	0	0	0	0	115	Y59 S81	G57-Y59 VanDerWaalsContact C-N 3.33Å; G57-S81 PolarHBondContact N-O 2.8Å
58	D	83.3	Confident	91.4	Very high	159 Å²	159	45.4 Å²	45.4	85%	0.85	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-10.1	-178.6	-58	-41	0	0	0	113.7	V56	V56-D58 VanDerWaalsContact C-N 3.25Å; V56-D58 PolarHBondContact O-N 3.01Å; V56-D58 VanDerWaalsContact O-N 3.13Å
59	Y	85.7	Confident	91.4	Very high	90 Å²	90	48.7 Å²	48.7	35%	0.353	26%	0.259	S	S	.	.			trans	-98.5	126.8	-174.7	-72.6	-115.3	0	0	0	109.8	N31 V56 G57 T61 I63	N31-Y59 WeakPolarHBondContact OD1-CD1 3.39Å; V56-Y59 HydrophobicContact CB-CD2 3.69Å; V56-Y59 HydrophobicContact CB-CE2 4.36Å; V56-Y59 HydrophobicContact CB-CG 4.19Å; V56-Y59 HydrophobicContact CG1-CD2 3.59Å; V56-Y59 HydrophobicContact CG1-CE2 3.96Å; V56-Y59 PolarHBondContact O-N 3.47Å; G57-Y59 VanDerWaalsContact C-N 3.33Å; Y59-T61 PolarHBondContact O-N 3.49Å; Y59-I63 HydrophobicContact CD1-CD1 3.92Å; Y59-I63 HydrophobicContact CD1-CG1 4.22Å; Y59-I63 HydrophobicContact CE1-CD1 3.89Å; Y59-I63 HydrophobicContact CE1-CG1 4.43Å; Y59-I63 HydrophobicContact CG-CD1 4.34Å
60	K	87	Confident	91.4	Very high	208 Å²	208	46.4 Å²	46.4	90%	0.904	25%	0.246	S	C	*	.	S	Bend	trans	-68	-19.4	176.5	-68.3	-174.4	178.7	-179.5	0	113.5
61	T	90.9	Very high	91.4	Very high	38 Å²	38	45.3 Å²	45.3	23%	0.233	25%	0.248	C	C	.	.	S	Bend	trans	-135.2	151.9	-173.1	51.3	0	0	0	0	110.1	N31 C32 Y59	N31-T61 WeakPolarHBondContact CA-OG1 3.49Å; N31-T61 VanDerWaalsContact CB-OG1 3.25Å; N31-T61 WeakPolarHBondContact CB-OG1 3.45Å; N31-T61 PolarHBondContact OD1-OG1 3.35Å; C32-T61 WeakPolarHBondContact O-CB 3.25Å; Y59-T61 PolarHBondContact O-N 3.49Å
62	P	93	Very high	91.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.			trans	-64	149.8	-179.5	23.9	-32.8	0	0	0	112.5	C32 D34 K53 L54 M55	C32-P62 HydrophobicContact CB-CG 4.45Å; C32-P62 VanDerWaalsContact CB-O 3.32Å; C32-P62 WeakPolarHBondContact CB-O 3.42Å; C32-P62 PolarHBondContact N-O 3.41Å; C32-P62 PolarHBondContact SG-O 2.69Å; D34-P62 HydrophobicContact CB-CG 4.21Å; K53-P62 HydrophobicContact CD-CB 4.35Å; K53-P62 VanDerWaalsContact CE-CB 3.46Å; K53-P62 HydrophobicContact CG-CB 3.96Å; L54-P62 CarbonylContact O-C 3.57Å; L54-P62 VanDerWaalsContact O-CA 3.27Å; L54-P62 WeakPolarHBondContact O-CA 3.06Å; M55-P62 HydrophobicContact SD-CB 3.68Å; M55-P62 HydrophobicContact SD-CG 4.43Å
63	I	94.2	Very high	91.3	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	140.6	162.9	-65.1	157.7	0	0	0	107.7	L30 K53 L54 V56 Y59 Y79	L30-I63 HydrophobicContact CD2-CD1 4.46Å; L30-I63 HydrophobicContact CD2-CG1 4.34Å; L30-I63 HydrophobicContact CD2-CG2 4.23Å; K53-I63 CarbonylContact C-O 3.52Å; K53-I63 WeakPolarHBondContact CA-O 3.28Å; L54-I63 HydrophobicContact CB-CB 4.2Å; L54-I63 HydrophobicContact CD1-CB 4.44Å; L54-I63 HydrophobicContact CD1-CG2 4.2Å; L54-I63 PolarHBondContact N-O 2.83Å; L54-I63 PolarHBondContact O-N 3.5Å; V56-I63 HydrophobicContact CG2-CD1 3.9Å; Y59-I63 HydrophobicContact CD1-CD1 3.92Å; Y59-I63 HydrophobicContact CD1-CG1 4.22Å; Y59-I63 HydrophobicContact CE1-CD1 3.89Å; Y59-I63 HydrophobicContact CE1-CG1 4.43Å; Y59-I63 HydrophobicContact CG-CD1 4.34Å; I63-Y79 HydrophobicContact CD1-CE1 4.18Å
64	R	94.3	Very high	91.3	Very high	3 Å²	3	57.9 Å²	57.9	1%	0.011	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.8	171.2	-68.5	173.8	173.1	94.7	-5.3	107.8	Y27 E28 C29 C32 P33 F36 A52 K53 N93 T94	Y27-R64 CarbonylContact O-C 3.53Å; Y27-R64 WeakPolarHBondContact O-CB 3.43Å; E28-R64 VanDerWaalsContact CA-O 3.27Å; E28-R64 WeakPolarHBondContact CA-O 3.06Å; C29-R64 PolarHBondContact N-O 3.07Å; C29-R64 PolarHBondContact O-N 2.87Å; C29-R64 VanDerWaalsContact O-N 3.14Å; C32-R64 HydrophobicContact CB-CG 4.36Å; C32-R64 WeakPolarHBondContact SG-CB 3.35Å; C32-R64 VanDerWaalsContact SG-CG 3.52Å; C32-R64 PolarHBondContact SG-N 3.37Å; P33-R64 PolarHBondContact O-NH1 2.95Å; P33-R64 VanDerWaalsContact O-NH1 3.08Å; F36-R64 VanDerWaalsContact CD2-CZ 3.46Å; A52-R64 VanDerWaalsContact O-CA 3.28Å; A52-R64 WeakPolarHBondContact O-CA 3.41Å; K53-R64 HydrophobicContact CG-CG 4.47Å; R64-N93 WeakPolarHBondContact CD-O 3.21Å; R64-N93 PolarHBondContact NE-O 2.97Å; R64-T94 PolarHBondContact NH2-O 3Å
65	E	94.5	Very high	91.3	Very high	28 Å²	28	57.9 Å²	57.9	13%	0.131	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.1	-172.3	-170.8	169.8	152.4	0	0	111.5	A52 W75 R78	A52-E65 PolarHBondContact N-O 2.92Å; A52-E65 PolarHBondContact O-N 3.36Å; E65-W75 HydrophobicContact CB-CH2 4.11Å; E65-W75 HydrophobicContact CG-CH2 4.11Å; E65-W75 WeakPolarHBondContact OE2-CZ3 3.47Å; E65-R78 IonicContact OE1-CZ 3.5Å; E65-R78 IonicContact OE1-NH1 3.22Å; E65-R78 PolarHBondContact OE1-NH1 3.28Å; E65-R78 IonicContact OE1-NH2 2.81Å; E65-R78 PolarHBondContact OE1-NH2 3.33Å; E65-R78 IonicContact OE2-CZ 3.67Å; E65-R78 IonicContact OE2-NH1 2.84Å; E65-R78 PolarHBondContact OE2-NH1 3.19Å; E65-R78 IonicContact OE2-NH2 3.61Å
66	C	94.3	Very high	91.3	Very high	11 Å²	11	56.5 Å²	56.5	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.4	163.9	170.6	0	0	0	0	108.7	C26 E28 K45 C48	C26-C66 HydrophobicContact CB-CB 4.19Å; E28-C66 HydrophobicContact CG-CB 4.06Å; E28-C66 VanDerWaalsContact OE1-CB 3.3Å; E28-C66 WeakPolarHBondContact OE1-CB 3.44Å; E28-C66 PolarHBondContact OE1-N 3.42Å; E28-C66 VanDerWaalsContact OE1-N 3.1Å; K45-C66 HydrophobicContact CB-CB 4.08Å; K45-C66 HydrophobicContact CD-CB 3.67Å; K45-C66 HydrophobicContact CG-CB 4.01Å; C48-C66 WeakPolarHBondContact CA-SG 3.43Å; C48-C66 HydrophobicContact CB-CB 3.99Å; C48-C66 WeakPolarHBondContact CB-SG 3.31Å; C48-C66 WeakPolarHBondContact SG-CB 3.23Å; C48-C66 CovalentContact SG-SG 2.01Å; C48-C66 PolarHBondContact SG-SG 3.02Å
67	T	93	Very high	91.4	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.9	-173.5	-176.2	0	0	0	0	112.7	W50 A52 N69 F74 W75	W50-T67 HydrophobicContact CB-CG2 3.65Å; W50-T67 HydrophobicContact CG-CG2 4.48Å; W50-T67 PolarHBondContact N-O 2.63Å; W50-T67 PolarHBondContact O-N 3.12Å; A52-T67 HydrophobicContact CB-CG2 4.15Å; T67-N69 VanDerWaalsContact C-N 3.29Å; T67-N69 VanDerWaalsContact CG2-O 3.22Å; T67-N69 WeakPolarHBondContact CG2-O 2.96Å; T67-N69 PolarHBondContact OG1-N 3.43Å; T67-N69 VanDerWaalsContact OG1-N 3.13Å; T67-N69 PolarHBondContact OG1-O 2.87Å; T67-F74 WeakPolarHBondContact OG1-CE1 3.43Å; T67-W75 HydrophobicContact CG2-CH2 4.21Å; T67-W75 HydrophobicContact CG2-CZ2 3.76Å
68	P	91.7	Very high	91.7	Very high	89 Å²	89	66.7 Å²	66.7	58%	0.578	33%	0.325	S	S	*	.	S	Bend	trans	-72.4	-23.5	167.8	30.6	-35.9	0	0	0	112.6	F74	P68-F74 HydrophobicContact CG-CE2 4.23Å; P68-F74 HydrophobicContact CG-CZ 4.23Å
69	N	91	Very high	92.1	Very high	70 Å²	70	60.3 Å²	60.3	37%	0.374	29%	0.29	S	S	.	.			trans	-137.4	132.9	-172.7	-165	-12.5	0	0	0	111.6	T67 T71 F74	T67-N69 VanDerWaalsContact C-N 3.29Å; T67-N69 VanDerWaalsContact CG2-O 3.22Å; T67-N69 WeakPolarHBondContact CG2-O 2.96Å; T67-N69 PolarHBondContact OG1-N 3.43Å; T67-N69 VanDerWaalsContact OG1-N 3.13Å; T67-N69 PolarHBondContact OG1-O 2.87Å; N69-T71 VanDerWaalsContact OD1-CG2 3.3Å; N69-T71 WeakPolarHBondContact OD1-CG2 3.35Å; N69-T71 PolarHBondContact OD1-OG1 3.04Å; N69-F74 HydrophobicContact CB-CB 4.19Å; N69-F74 HydrophobicContact CB-CD2 3.86Å; N69-F74 HydrophobicContact CB-CE2 4.4Å; N69-F74 HydrophobicContact CB-CG 3.95Å; N69-F74 WeakPolarHBondContact O-CD1 3.32Å
70	C	90.1	Very high	92.2	Very high	28 Å²	28	64.6 Å²	64.6	19%	0.189	32%	0.318	C	S	.	.			trans	-112.1	73.8	174.6	-176.2	0	0	0	0	110.9	W50 C86	W50-C70 HydrophobicContact CB-CB 4.45Å; W50-C70 HydrophobicContact CD2-CB 3.86Å; W50-C70 HydrophobicContact CE3-CB 4.12Å; W50-C70 HydrophobicContact CG-CB 3.98Å; C70-C86 HydrophobicContact CB-CB 3.62Å; C70-C86 WeakPolarHBondContact CB-SG 2.99Å; C70-C86 WeakPolarHBondContact SG-CB 3.38Å; C70-C86 CovalentContact SG-SG 2Å; C70-C86 PolarHBondContact SG-SG 3.46Å
71	T	91.1	Very high	92.4	Very high	52 Å²	52	58.7 Å²	58.7	32%	0.319	30%	0.303	S	S	.	.	S	Bend	trans	-136.9	155.2	174.3	60	0	0	0	0	110.7	N69 E73 F74 W75	N69-T71 VanDerWaalsContact OD1-CG2 3.3Å; N69-T71 WeakPolarHBondContact OD1-CG2 3.35Å; N69-T71 PolarHBondContact OD1-OG1 3.04Å; T71-E73 VanDerWaalsContact C-N 3.29Å; T71-E73 PolarHBondContact O-N 3.43Å; T71-F74 WeakPolarHBondContact O-CB 2.96Å; T71-F74 PolarHBondContact O-N 2.8Å; T71-F74 PolarHBondContact OG1-N 2.02Å; T71-W75 PolarHBondContact O-N 3.25Å
72	F	91.4	Very high	92.4	Very high	105 Å²	105	58 Å²	58	46%	0.461	30%	0.298	S	S	.	.	H	α-helix	trans	-58	-43	175.2	-179.2	-102.3	0	0	0	111.6	F74 W75 S76 L82 Y84	F72-F74 VanDerWaalsContact C-N 3.25Å; F72-F74 PolarHBondContact O-N 2.82Å; F72-W75 PolarHBondContact O-N 3.24Å; F72-S76 WeakPolarHBondContact O-CB 3.35Å; F72-S76 PolarHBondContact O-N 2.74Å; F72-S76 PolarHBondContact O-OG 3.21Å; F72-L82 HydrophobicContact CD2-CD2 4.13Å; F72-L82 HydrophobicContact CE2-CD2 3.77Å; F72-Y84 HydrophobicContact CB-CE1 3.85Å; F72-Y84 HydrophobicContact CD2-CE1 4.17Å; F72-Y84 PolarHBondContact N-OH 2.89Å
73	E	93.2	Very high	92.4	Very high	135 Å²	135	61.3 Å²	61.3	63%	0.631	32%	0.321	S	S	*	.	H	α-helix	trans	-58.9	-34	179	-168.7	-166.3	157.8	0	0	113.2	T71 S76	T71-E73 VanDerWaalsContact C-N 3.29Å; T71-E73 PolarHBondContact O-N 3.43Å; E73-S76 WeakPolarHBondContact CA-OG 3.3Å; E73-S76 PolarHBondContact O-OG 2.01Å
74	F	94.2	Very high	92.3	Very high	52 Å²	52	65.4 Å²	65.4	23%	0.228	34%	0.337	C	S	.	.	H	α-helix	trans	-65.7	-43.3	175.6	179.6	-99.8	0	0	0	111.3	T67 P68 N69 T71 F72	T67-F74 WeakPolarHBondContact OG1-CE1 3.43Å; P68-F74 HydrophobicContact CG-CE2 4.23Å; P68-F74 HydrophobicContact CG-CZ 4.23Å; N69-F74 HydrophobicContact CB-CB 4.19Å; N69-F74 HydrophobicContact CB-CD2 3.86Å; N69-F74 HydrophobicContact CB-CE2 4.4Å; N69-F74 HydrophobicContact CB-CG 3.95Å; N69-F74 WeakPolarHBondContact O-CD1 3.32Å; T71-F74 WeakPolarHBondContact O-CB 2.96Å; T71-F74 PolarHBondContact O-N 2.8Å; T71-F74 PolarHBondContact OG1-N 2.02Å; F72-F74 VanDerWaalsContact C-N 3.25Å; F72-F74 PolarHBondContact O-N 2.82Å
75	W	94.2	Very high	92.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-82.8	-32	-176.3	-59.9	121.3	0	0	0	114.1	A52 L54 E65 T67 T71 F72 K77 R78 Y79 L82 Y84	A52-W75 HydrophobicContact CB-CH2 4.3Å; A52-W75 HydrophobicContact CB-CZ2 3.75Å; L54-W75 HydrophobicContact CD1-CD2 4.14Å; L54-W75 HydrophobicContact CD1-CE3 3.74Å; L54-W75 HydrophobicContact CD1-CH2 4.08Å; L54-W75 HydrophobicContact CD1-CZ2 4.44Å; L54-W75 HydrophobicContact CD1-CZ3 3.71Å; L54-W75 HydrophobicContact CD2-CD2 3.92Å; L54-W75 HydrophobicContact CD2-CE3 4.37Å; L54-W75 HydrophobicContact CD2-CG 4.3Å; L54-W75 HydrophobicContact CD2-CH2 4.41Å; L54-W75 HydrophobicContact CD2-CZ2 3.96Å; E65-W75 HydrophobicContact CB-CH2 4.11Å; E65-W75 HydrophobicContact CG-CH2 4.11Å; E65-W75 WeakPolarHBondContact OE2-CZ3 3.47Å; T67-W75 HydrophobicContact CG2-CH2 4.21Å; T67-W75 HydrophobicContact CG2-CZ2 3.76Å; T71-W75 PolarHBondContact O-N 3.25Å; F72-W75 PolarHBondContact O-N 3.24Å; W75-K77 PolarHBondContact O-N 2.96Å; W75-K77 VanDerWaalsContact O-N 3.07Å; W75-R78 PolarHBondContact O-N 2Å; W75-Y79 HydrophobicContact CE3-CE2 4.41Å; W75-Y79 PolarHBondContact O-N 2.86Å; W75-L82 HydrophobicContact CB-CD1 3.42Å; W75-L82 VanDerWaalsContact CB-CD1 3.42Å; W75-L82 HydrophobicContact CB-CD2 4.02Å; W75-L82 HydrophobicContact CB-CG 4.35Å; W75-L82 HydrophobicContact CG-CD1 3.81Å; W75-Y84 AromaticContact CD1-CG 3.79Å; W75-Y84 AromaticContact NE1-CD2 3.95Å
76	S	92.9	Very high	92	Very high	46 Å²	46	67.9 Å²	67.9	32%	0.322	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.8	-177.7	66.2	0	0	0	0	113.1	F72 E73 R78 Y79	F72-S76 WeakPolarHBondContact O-CB 3.35Å; F72-S76 PolarHBondContact O-N 2.74Å; F72-S76 PolarHBondContact O-OG 3.21Å; E73-S76 WeakPolarHBondContact CA-OG 3.3Å; E73-S76 PolarHBondContact O-OG 2.01Å; S76-R78 VanDerWaalsContact C-N 3.34Å; S76-Y79 WeakPolarHBondContact CA-O 3.27Å
77	K	94	Very high	91.7	Very high	160 Å²	160	67.9 Å²	67.9	70%	0.696	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.2	170.9	-65.1	176.7	-174.9	179.1	0	113.1	W75	W75-K77 PolarHBondContact O-N 2.96Å; W75-K77 VanDerWaalsContact O-N 3.07Å
78	R	92	Very high	91.5	Very high	123 Å²	123	70.6 Å²	70.6	46%	0.464	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-32.1	-179.9	-93.2	-173.1	-79.5	162.1	-8.7	113.2	E65 W75 S76	E65-R78 IonicContact OE1-CZ 3.5Å; E65-R78 IonicContact OE1-NH1 3.22Å; E65-R78 PolarHBondContact OE1-NH1 3.28Å; E65-R78 IonicContact OE1-NH2 2.81Å; E65-R78 PolarHBondContact OE1-NH2 3.33Å; E65-R78 IonicContact OE2-CZ 3.67Å; E65-R78 IonicContact OE2-NH1 2.84Å; E65-R78 PolarHBondContact OE2-NH1 3.19Å; E65-R78 IonicContact OE2-NH2 3.61Å; W75-R78 PolarHBondContact O-N 2Å; S76-R78 VanDerWaalsContact C-N 3.34Å
79	Y	92.1	Very high	91.2	Very high	25 Å²	25	70 Å²	70	10%	0.098	36%	0.355	C	S	.	.			trans	-130	124.2	-172.8	-52.3	-67.7	0	0	0	110.9	L54 V56 I63 W75 S76 L82	L54-Y79 HydrophobicContact CD1-CD2 4.4Å; L54-Y79 HydrophobicContact CD1-CE2 3.81Å; V56-Y79 HydrophobicContact CB-CD1 4.36Å; V56-Y79 HydrophobicContact CG1-CD1 3.68Å; V56-Y79 HydrophobicContact CG1-CE1 4.37Å; V56-Y79 HydrophobicContact CG1-CG 4.15Å; V56-Y79 HydrophobicContact CG2-CD1 3.74Å; V56-Y79 HydrophobicContact CG2-CD2 4.11Å; V56-Y79 HydrophobicContact CG2-CE1 4.01Å; V56-Y79 HydrophobicContact CG2-CE2 4.36Å; V56-Y79 HydrophobicContact CG2-CG 3.79Å; I63-Y79 HydrophobicContact CD1-CE1 4.18Å; W75-Y79 HydrophobicContact CE3-CE2 4.41Å; W75-Y79 PolarHBondContact O-N 2.86Å; S76-Y79 WeakPolarHBondContact CA-O 3.27Å; Y79-L82 HydrophobicContact CD2-CD1 4.42Å
80	L	87.4	Confident	91.1	Very high	180 Å²	180	70.5 Å²	70.5	94%	0.942	36%	0.358	S	S	*	.	S	Bend	trans	-70.2	-34.8	179.7	-67.7	172.4	0	0	0	112.7
81	S	90.1	Very high	91	Very high	84 Å²	84	72.8 Å²	72.8	59%	0.587	36%	0.363	S	S	*	.	S	Bend	trans	-136.2	117.6	178.4	-179.9	0	0	0	0	109.7	G57	G57-S81 PolarHBondContact N-O 2.8Å
82	L	92.4	Very high	90.9	Very high	25 Å²	25	71.3 Å²	71.3	13%	0.131	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	158.5	176.9	80.3	151.4	0	0	0	112.1	L54 M55 V56 F72 W75 Y79 Y84	L54-L82 HydrophobicContact CD2-CD1 4.05Å; M55-L82 CarbonylContact O-C 3.55Å; M55-L82 VanDerWaalsContact O-CA 3.29Å; M55-L82 WeakPolarHBondContact O-CA 3.34Å; V56-L82 HydrophobicContact CG2-CB 4.19Å; F72-L82 HydrophobicContact CD2-CD2 4.13Å; F72-L82 HydrophobicContact CE2-CD2 3.77Å; W75-L82 HydrophobicContact CB-CD1 3.42Å; W75-L82 VanDerWaalsContact CB-CD1 3.42Å; W75-L82 HydrophobicContact CB-CD2 4.02Å; W75-L82 HydrophobicContact CB-CG 4.35Å; W75-L82 HydrophobicContact CG-CD1 3.81Å; Y79-L82 HydrophobicContact CD2-CD1 4.42Å; L82-Y84 HydrophobicContact CD1-CD1 4.28Å
83	S	92.4	Very high	90.9	Very high	69 Å²	69	66.4 Å²	66.4	48%	0.483	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.7	153.3	62.6	0	0	0	0	109.3	L54 M55	L54-S83 WeakPolarHBondContact CA-O 3.01Å; M55-S83 WeakPolarHBondContact CB-OG 3.26Å; M55-S83 PolarHBondContact N-O 3.06Å; M55-S83 PolarHBondContact O-N 2.93Å
84	Y	92.1	Very high	90.5	Very high	88 Å²	88	61.6 Å²	61.6	35%	0.345	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.3	-178.5	65.7	-82.4	0	0	0	111	K53 F72 W75 L82	K53-Y84 WeakPolarHBondContact O-CA 3.43Å; F72-Y84 HydrophobicContact CB-CE1 3.85Å; F72-Y84 HydrophobicContact CD2-CE1 4.17Å; F72-Y84 PolarHBondContact N-OH 2.89Å; W75-Y84 AromaticContact CD1-CG 3.79Å; W75-Y84 AromaticContact NE1-CD2 3.95Å; L82-Y84 HydrophobicContact CD1-CD1 4.28Å
85	Y	91.4	Very high	89.3	Confident	62 Å²	62	62.2 Å²	62.2	24%	0.243	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.2	170.6	171.5	-99	0	0	0	108.3	A52 K53 C87 K97	A52-Y85 CarbonylContact C-O 3.52Å; A52-Y85 VanDerWaalsContact CA-O 3.29Å; A52-Y85 WeakPolarHBondContact CA-O 2.82Å; K53-Y85 PolarHBondContact N-O 3.25Å; K53-Y85 PolarHBondContact O-N 2.91Å; Y85-C87 HydrophobicContact CE1-CB 3.95Å; Y85-K97 PolarHBondContact OH-O 2.93Å
86	C	91	Very high	87.1	Confident	20 Å²	20	66.4 Å²	66.4	14%	0.135	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.5	173.9	-49.1	0	0	0	0	111.8	W50 C51 C70	W50-C86 HydrophobicContact CB-CB 4.47Å; W50-C86 HydrophobicContact CD2-CB 4.47Å; W50-C86 HydrophobicContact CE3-CB 3.75Å; W50-C86 HydrophobicContact CZ3-CB 4.44Å; C51-C86 VanDerWaalsContact O-CA 3.28Å; C51-C86 WeakPolarHBondContact O-CA 3.28Å; C70-C86 HydrophobicContact CB-CB 3.62Å; C70-C86 WeakPolarHBondContact CB-SG 2.99Å; C70-C86 WeakPolarHBondContact SG-CB 3.38Å; C70-C86 CovalentContact SG-SG 2Å; C70-C86 PolarHBondContact SG-SG 3.46Å
87	C	88.8	Confident	84.4	Confident	11 Å²	11	72.2 Å²	72.2	7%	0.074	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	159.8	178.5	50.9	0	0	0	0	110.3	C51 Y85 C92	C51-C87 PolarHBondContact N-O 2.85Å; C51-C87 PolarHBondContact O-N 2.97Å; Y85-C87 HydrophobicContact CE1-CB 3.95Å; C87-C92 VanDerWaalsContact C-SG 3.52Å; C87-C92 HydrophobicContact CB-CB 3.84Å; C87-C92 WeakPolarHBondContact CB-SG 3.22Å; C87-C92 WeakPolarHBondContact SG-CB 3.32Å; C87-C92 CovalentContact SG-SG 2Å; C87-C92 PolarHBondContact SG-SG 3.48Å
88	Q	87.5	Confident	81.7	Confident	59 Å²	59	69.2 Å²	69.2	28%	0.276	36%	0.364	S	S	.	.	S	Bend	trans	-118.6	46.1	-175.9	-60.8	-170.5	-70.1	0	0	112.9	L24 V49 W50	L24-Q88 VanDerWaalsContact CD1-CA 3.45Å; L24-Q88 HydrophobicContact CD1-CB 3.97Å; L24-Q88 HydrophobicContact CD1-CG 4.36Å; L24-Q88 WeakPolarHBondContact CD2-O 3.3Å; V49-Q88 PolarHBondContact O-NE2 2.78Å; W50-Q88 HydrophobicContact CD2-CG 3.75Å; W50-Q88 HydrophobicContact CE3-CG 3.28Å; W50-Q88 HydrophobicContact CH2-CG 3.75Å; W50-Q88 HydrophobicContact CZ2-CG 4.16Å; W50-Q88 HydrophobicContact CZ3-CG 3.31Å
89	T	85.7	Confident	79.2	Confident	75 Å²	75	67.4 Å²	67.4	46%	0.46	37%	0.369	S	S	.	.	S	Bend	trans	-131.7	149.5	175.6	-51.7	0	0	0	0	108.9	Y91 C92	T89-Y91 PolarHBondContact O-N 2.99Å; T89-C92 WeakPolarHBondContact O-CB 3.33Å; T89-C92 PolarHBondContact O-N 3.1Å; T89-C92 PolarHBondContact O-SG 2.95Å
90	N	88.1	Confident	76.8	Confident	81 Å²	81	72.3 Å²	72.3	43%	0.433	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	130.3	175.6	-74	-26.2	0	0	0	110.8	L24 S25 C92	L24-N90 WeakPolarHBondContact CA-OD1 3.26Å; S25-N90 PolarHBondContact N-OD1 2.92Å; S25-N90 CarbonylContact O-C 3.51Å; S25-N90 WeakPolarHBondContact O-CA 3.08Å; N90-C92 PolarHBondContact O-N 2.8Å
91	Y	89.6	Confident	74.9	Confident	76 Å²	76	68.4 Å²	68.4	30%	0.298	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	22.7	171.1	-55.3	-61.1	0	0	0	113.8	S25 Y27 T44 T89 N93 T94	S25-Y91 VanDerWaalsContact CB-CZ 3.41Å; S25-Y91 WeakPolarHBondContact CB-OH 3.26Å; S25-Y91 PolarHBondContact O-N 3.06Å; Y27-Y91 HydrophobicContact CD1-CD1 4.27Å; Y27-Y91 AromaticContact CD2-CD1 3.93Å; Y27-Y91 HydrophobicContact CD2-CD1 3.93Å; Y27-Y91 HydrophobicContact CD2-CG 4.49Å; Y27-Y91 AromaticContact CE1-CD1 3.95Å; Y27-Y91 HydrophobicContact CE1-CD1 3.95Å; Y27-Y91 HydrophobicContact CE1-CE1 4.29Å; Y27-Y91 AromaticContact CE2-CD1 3.58Å; Y27-Y91 HydrophobicContact CE2-CD1 3.58Å; Y27-Y91 AromaticContact CE2-CG 3.86Å; Y27-Y91 HydrophobicContact CE2-CG 3.86Å; Y27-Y91 HydrophobicContact CG-CD1 4.28Å; Y27-Y91 AromaticContact CZ-CD1 3.58Å; T44-Y91 HydrophobicContact CG2-CE1 3.79Å; T89-Y91 PolarHBondContact O-N 2.99Å; Y91-N93 VanDerWaalsContact C-N 3.26Å; Y91-N93 PolarHBondContact O-N 3.05Å; Y91-T94 WeakPolarHBondContact O-CG2 3.01Å; Y91-T94 PolarHBondContact O-OG1 3.05Å
92	C	88.4	Confident	73	Confident	22 Å²	22	70.5 Å²	70.5	15%	0.149	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-73.6	-16.4	-175	64.2	0	0	0	0	113.6	C87 T89 N90 T94	C87-C92 VanDerWaalsContact C-SG 3.52Å; C87-C92 HydrophobicContact CB-CB 3.84Å; C87-C92 WeakPolarHBondContact CB-SG 3.22Å; C87-C92 WeakPolarHBondContact SG-CB 3.32Å; C87-C92 CovalentContact SG-SG 2Å; C87-C92 PolarHBondContact SG-SG 3.48Å; T89-C92 WeakPolarHBondContact O-CB 3.33Å; T89-C92 PolarHBondContact O-N 3.1Å; T89-C92 PolarHBondContact O-SG 2.95Å; N90-C92 PolarHBondContact O-N 2.8Å; C92-T94 PolarHBondContact O-N 3.15Å
93	N	91.7	Very high	71.1	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.011	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-77.2	8.6	178.7	63.5	-15.5	0	0	0	114.2	Y27 C51 A52 R64 Y91	Y27-N93 PolarHBondContact N-OD1 3.48Å; Y27-N93 PolarHBondContact O-ND2 2.94Å; C51-N93 HydrophobicContact CB-CB 3.82Å; A52-N93 PolarHBondContact O-ND2 2.83Å; A52-N93 VanDerWaalsContact O-ND2 3.15Å; R64-N93 WeakPolarHBondContact CD-O 3.21Å; R64-N93 PolarHBondContact NE-O 2.97Å; Y91-N93 VanDerWaalsContact C-N 3.26Å; Y91-N93 PolarHBondContact O-N 3.05Å
94	T	85.2	Confident	69.4	Low	34 Å²	34	75.2 Å²	75.2	21%	0.209	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-69.3	-47.1	175.4	47.8	0	0	0	0	113.3	Y27 F36 R64 Y91 C92	Y27-T94 HydrophobicContact CD2-CG2 3.35Å; Y27-T94 HydrophobicContact CE2-CG2 3.13Å; F36-T94 WeakPolarHBondContact CB-O 3.5Å; F36-T94 HydrophobicContact CD1-CG2 3.56Å; F36-T94 HydrophobicContact CD2-CG2 4.42Å; F36-T94 HydrophobicContact CE1-CG2 3.39Å; F36-T94 HydrophobicContact CE2-CG2 4.26Å; F36-T94 HydrophobicContact CG-CG2 4.07Å; F36-T94 HydrophobicContact CZ-CG2 3.75Å; R64-T94 PolarHBondContact NH2-O 3Å; Y91-T94 WeakPolarHBondContact O-CG2 3.01Å; Y91-T94 PolarHBondContact O-OG1 3.05Å; C92-T94 PolarHBondContact O-N 3.15Å
95	S	67.8	Low	68	Low	64 Å²	64	75.9 Å²	75.9	45%	0.448	40%	0.401	S	S	.	.	S	Bend	trans	-147.7	152.1	-176.6	61.1	0	0	0	0	110.3	K97	S95-K97 PolarHBondContact O-N 2.97Å
96	V	47.6	Very low	66.8	Low	88 Å²	88	76.2 Å²	76.2	53%	0.533	41%	0.409	S	S	.	.			trans	-73.7	67.4	176.6	-162.8	0	0	0	0	109.1	T98	V96-T98 VanDerWaalsContact C-N 3.3Å; V96-T98 HydrophobicContact CG1-CG2 4.3Å; V96-T98 PolarHBondContact O-N 2.9Å
97	K	37.3	Very low	65.7	Low	168 Å²	168	77.9 Å²	77.9	73%	0.73	42%	0.418	S	S	*	.			trans	-79.6	95.8	152.5	-84.8	-174.4	177	179.4	0	105.1	Y85 S95 C99	Y85-K97 PolarHBondContact OH-O 2.93Å; S95-K97 PolarHBondContact O-N 2.97Å; K97-C99 VanDerWaalsContact C-N 3.31Å; K97-C99 PolarHBondContact O-N 3.28Å
98	T	36.5	Very low	64.7	Low	98 Å²	98	81.2 Å²	81.2	60%	0.601	44%	0.435	S	S	*	.			trans	-50.2	105.5	159.1	37.5	0	0	0	0	106.4	V96 I100	V96-T98 VanDerWaalsContact C-N 3.3Å; V96-T98 HydrophobicContact CG1-CG2 4.3Å; V96-T98 PolarHBondContact O-N 2.9Å; T98-I100 PolarHBondContact O-N 3.18Å
99	C	40.7	Very low	64.1	Low	84 Å²	84	82 Å²	82	57%	0.568	44%	0.444	S	S	*	.			trans	-60.1	98.1	158.3	-74.3	0	0	0	0	104.5	K97 N101	K97-C99 VanDerWaalsContact C-N 3.31Å; K97-C99 PolarHBondContact O-N 3.28Å; C99-N101 VanDerWaalsContact C-N 3.26Å; C99-N101 PolarHBondContact O-N 2.73Å
100	I	40.4	Very low	63.5	Low	129 Å²	129	79.9 Å²	79.9	66%	0.662	43%	0.43	S	S	*	.			trans	-53.4	109.7	154.6	-66	173.2	0	0	0	102.6	T98 H102	T98-I100 PolarHBondContact O-N 3.18Å; I100-H102 PolarHBondContact O-N 2.79Å
101	N	48.6	Very low	62.7	Low	98 Å²	98	80 Å²	80	52%	0.524	43%	0.434	S	S	.	.			trans	-64.7	88.1	-177.9	-131.9	7.3	0	0	0	105.7	C99 H103 M104	C99-N101 VanDerWaalsContact C-N 3.26Å; C99-N101 PolarHBondContact O-N 2.73Å; N101-H103 HydrophobicContact CB-CB 4.33Å; N101-H103 PolarHBondContact O-N 3.13Å; N101-H103 PolarHBondContact OD1-CD2 3Å; N101-M104 PolarHBondContact O-N 3.48Å
102	H	49.5	Very low	62	Low	127 Å²	127	80.6 Å²	80.6	59%	0.588	44%	0.442	S	S	*	.	H	α-helix	trans	-54.4	-17.7	173.8	-76.3	-69	0	0	0	110.4	I100 M104 L105 T106	I100-H102 PolarHBondContact O-N 2.79Å; H102-M104 VanDerWaalsContact C-N 3.34Å; H102-M104 PolarHBondContact O-N 3.26Å; H102-L105 WeakPolarHBondContact O-CB 2.99Å; H102-L105 PolarHBondContact O-N 3.14Å; H102-L105 VanDerWaalsContact O-N 3.07Å; H102-T106 PolarHBondContact O-N 3.2Å; H102-T106 PolarHBondContact O-OG1 2.76Å; H102-T106 VanDerWaalsContact O-OG1 3.04Å
103	H	52	Low	61.4	Low	66 Å²	66	83 Å²	83	31%	0.306	46%	0.456	S	S	.	.	H	α-helix	trans	-43.6	-49.1	163.8	-68.8	-92.8	0	0	0	114.1	V16 N101 L105 T106 V107	V16-H103 PolarHBondContact O-CE1 3.22Å; V16-H103 VanDerWaalsContact O-CE1 3.25Å; N101-H103 HydrophobicContact CB-CB 4.33Å; N101-H103 PolarHBondContact O-N 3.13Å; N101-H103 PolarHBondContact OD1-CD2 3Å; H103-L105 VanDerWaalsContact C-N 3.34Å; H103-L105 PolarHBondContact O-N 2.78Å; H103-T106 PolarHBondContact O-N 3.35Å; H103-V107 WeakPolarHBondContact O-CB 3.3Å; H103-V107 VanDerWaalsContact O-CG2 3.25Å; H103-V107 WeakPolarHBondContact O-CG2 3.06Å; H103-V107 PolarHBondContact O-N 2.9Å
104	M	56.8	Low	60.5	Low	127 Å²	127	85.6 Å²	85.6	63%	0.626	47%	0.474	S	S	*	.	H	α-helix	trans	-66.6	-40.4	179	-71.3	-63.8	-76.9	0	0	110.9	N101 H102 V107 I108	N101-M104 PolarHBondContact O-N 3.48Å; H102-M104 VanDerWaalsContact C-N 3.34Å; H102-M104 PolarHBondContact O-N 3.26Å; M104-V107 PolarHBondContact O-N 2.83Å; M104-I108 WeakPolarHBondContact O-CB 3.48Å; M104-I108 VanDerWaalsContact O-CD1 3.32Å; M104-I108 WeakPolarHBondContact O-CD1 3.32Å; M104-I108 WeakPolarHBondContact O-CG1 3.28Å; M104-I108 PolarHBondContact O-N 3.33Å
105	L	63.8	Low	59.9	Low	103 Å²	103	90 Å²	90	54%	0.539	49%	0.49	S	S	.	.	H	α-helix	trans	-65.5	-44.8	178.9	-169.3	70	0	0	0	111.3	H102 H103 I108 V109	H102-L105 WeakPolarHBondContact O-CB 2.99Å; H102-L105 PolarHBondContact O-N 3.14Å; H102-L105 VanDerWaalsContact O-N 3.07Å; H103-L105 VanDerWaalsContact C-N 3.34Å; H103-L105 PolarHBondContact O-N 2.78Å; L105-I108 PolarHBondContact O-N 3.44Å; L105-V109 HydrophobicContact CG-CG2 4.46Å; L105-V109 WeakPolarHBondContact O-CB 3.48Å; L105-V109 VanDerWaalsContact O-CG2 3.24Å; L105-V109 WeakPolarHBondContact O-CG2 3.36Å; L105-V109 PolarHBondContact O-N 2.01Å
106	T	66.4	Low	60.1	Low	69 Å²	69	93 Å²	93	42%	0.423	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-43.7	178.6	-51.7	0	0	0	0	111.3	H102 H103 V109 V110	H102-T106 PolarHBondContact O-N 3.2Å; H102-T106 PolarHBondContact O-OG1 2.76Å; H102-T106 VanDerWaalsContact O-OG1 3.04Å; H103-T106 PolarHBondContact O-N 3.35Å; T106-V109 PolarHBondContact O-N 3.04Å; T106-V110 HydrophobicContact CG2-CG2 4.39Å; T106-V110 VanDerWaalsContact O-CB 3.3Å; T106-V110 WeakPolarHBondContact O-CB 3.25Å; T106-V110 VanDerWaalsContact O-CG2 3.23Å; T106-V110 WeakPolarHBondContact O-CG2 3.14Å; T106-V110 PolarHBondContact O-N 2.84Å
107	V	67	Low	61.2	Low	54 Å²	54	98.1 Å²	98.1	33%	0.327	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-44.5	176.8	171.8	0	0	0	0	111.1	L13 H103 M104 V110 T111	L13-V107 HydrophobicContact CD2-CG2 4.16Å; H103-V107 WeakPolarHBondContact O-CB 3.3Å; H103-V107 VanDerWaalsContact O-CG2 3.25Å; H103-V107 WeakPolarHBondContact O-CG2 3.06Å; H103-V107 PolarHBondContact O-N 2.9Å; M104-V107 PolarHBondContact O-N 2.83Å; V107-V110 PolarHBondContact O-N 3.22Å; V107-T111 PolarHBondContact O-N 3.39Å; V107-T111 PolarHBondContact O-OG1 2Å
108	I	68.3	Low	62.5	Low	82 Å²	82	94.8 Å²	94.8	42%	0.421	50%	0.499	S	S	.	.	H	α-helix	trans	-62.3	-48.6	177.1	-69.6	165	0	0	0	110.9	M104 L105 V110 T111 L112	M104-I108 WeakPolarHBondContact O-CB 3.48Å; M104-I108 VanDerWaalsContact O-CD1 3.32Å; M104-I108 WeakPolarHBondContact O-CD1 3.32Å; M104-I108 WeakPolarHBondContact O-CG1 3.28Å; M104-I108 PolarHBondContact O-N 3.33Å; L105-I108 PolarHBondContact O-N 3.44Å; I108-V110 VanDerWaalsContact C-N 3.34Å; I108-V110 PolarHBondContact O-N 3.06Å; I108-T111 WeakPolarHBondContact CA-OG1 3.29Å; I108-T111 PolarHBondContact O-N 3.22Å; I108-T111 PolarHBondContact O-OG1 3.08Å; I108-T111 VanDerWaalsContact O-OG1 3.12Å; I108-L112 HydrophobicContact CG2-CD1 3.72Å; I108-L112 HydrophobicContact CG2-CG 4.31Å; I108-L112 WeakPolarHBondContact O-CB 3.47Å; I108-L112 VanDerWaalsContact O-CG 3.22Å; I108-L112 WeakPolarHBondContact O-CG 3.35Å; I108-L112 PolarHBondContact O-N 2.88Å
109	V	74.5	Confident	63.7	Low	76 Å²	76	98 Å²	98	46%	0.461	50%	0.504	S	S	.	.	H	α-helix	trans	-61.9	-43.6	-180	170.3	0	0	0	0	110.9	L105 T106 T113	L105-V109 HydrophobicContact CG-CG2 4.46Å; L105-V109 WeakPolarHBondContact O-CB 3.48Å; L105-V109 VanDerWaalsContact O-CG2 3.24Å; L105-V109 WeakPolarHBondContact O-CG2 3.36Å; L105-V109 PolarHBondContact O-N 2.01Å; T106-V109 PolarHBondContact O-N 3.04Å; V109-T113 WeakPolarHBondContact O-CB 3.39Å; V109-T113 PolarHBondContact O-N 2.81Å; V109-T113 PolarHBondContact O-OG1 3.28Å
110	V	73.8	Confident	64.4	Low	30 Å²	30	101.9 Å²	101.9	18%	0.182	52%	0.516	C	S	.	.	H	α-helix	trans	-63.4	-48.4	177.6	165.4	0	0	0	0	111.6	L9 L13 T106 V107 I108 L112 T113 C114	L9-V110 HydrophobicContact CD1-CG1 3.58Å; L9-V110 HydrophobicContact CD1-CG2 4.39Å; L9-V110 HydrophobicContact CD2-CG1 3.6Å; L9-V110 HydrophobicContact CG-CG1 3.83Å; L13-V110 HydrophobicContact CD1-CG1 4.32Å; L13-V110 HydrophobicContact CD2-CG1 4.36Å; T106-V110 HydrophobicContact CG2-CG2 4.39Å; T106-V110 VanDerWaalsContact O-CB 3.3Å; T106-V110 WeakPolarHBondContact O-CB 3.25Å; T106-V110 VanDerWaalsContact O-CG2 3.23Å; T106-V110 WeakPolarHBondContact O-CG2 3.14Å; T106-V110 PolarHBondContact O-N 2.84Å; V107-V110 PolarHBondContact O-N 3.22Å; I108-V110 VanDerWaalsContact C-N 3.34Å; I108-V110 PolarHBondContact O-N 3.06Å; V110-L112 PolarHBondContact O-N 3.43Å; V110-T113 PolarHBondContact O-N 3.37Å; V110-C114 PolarHBondContact O-N 2.84Å
111	T	71.5	Confident	64.7	Low	84 Å²	84	106.2 Å²	106.2	52%	0.515	53%	0.53	S	S	.	.	H	α-helix	trans	-62.3	-42.5	178.9	29.9	0	0	0	0	112	V107 I108 C114 F115	V107-T111 PolarHBondContact O-N 3.39Å; V107-T111 PolarHBondContact O-OG1 2Å; I108-T111 WeakPolarHBondContact CA-OG1 3.29Å; I108-T111 PolarHBondContact O-N 3.22Å; I108-T111 PolarHBondContact O-OG1 3.08Å; I108-T111 VanDerWaalsContact O-OG1 3.12Å; T111-C114 PolarHBondContact O-N 2.9Å; T111-F115 WeakPolarHBondContact O-CB 3.42Å; T111-F115 PolarHBondContact O-N 3.26Å
112	L	74.4	Confident	65.6	Low	87 Å²	87	106.7 Å²	106.7	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-60.8	-48.2	174.8	-71.8	172.2	0	0	0	111.3	I108 V110 C114 F115 F116	I108-L112 HydrophobicContact CG2-CD1 3.72Å; I108-L112 HydrophobicContact CG2-CG 4.31Å; I108-L112 WeakPolarHBondContact O-CB 3.47Å; I108-L112 VanDerWaalsContact O-CG 3.22Å; I108-L112 WeakPolarHBondContact O-CG 3.35Å; I108-L112 PolarHBondContact O-N 2.88Å; V110-L112 PolarHBondContact O-N 3.43Å; L112-C114 VanDerWaalsContact C-N 3.31Å; L112-C114 PolarHBondContact O-N 3.07Å; L112-F115 PolarHBondContact O-N 3.39Å; L112-F115 VanDerWaalsContact O-N 3.16Å; L112-F116 HydrophobicContact CB-CD2 4.46Å; L112-F116 HydrophobicContact CB-CE2 4.33Å; L112-F116 HydrophobicContact CD2-CE2 4.41Å; L112-F116 WeakPolarHBondContact O-CD2 3.42Å; L112-F116 PolarHBondContact O-N 3.05Å
113	T	76.3	Confident	66.4	Low	72 Å²	72	105.6 Å²	105.6	44%	0.442	53%	0.528	S	S	.	.	H	α-helix	trans	-61.1	-40.5	-179.6	-47.1	0	0	0	0	111.5	V109 V110 R117	V109-T113 WeakPolarHBondContact O-CB 3.39Å; V109-T113 PolarHBondContact O-N 2.81Å; V109-T113 PolarHBondContact O-OG1 3.28Å; V110-T113 PolarHBondContact O-N 3.37Å; T113-R117 WeakPolarHBondContact O-CG 3.27Å; T113-R117 PolarHBondContact O-N 2.89Å; T113-R117 VanDerWaalsContact O-N 3.1Å
114	C	71.9	Confident	67.2	Low	57 Å²	57	107.8 Å²	107.8	39%	0.385	54%	0.54	S	S	.	.	H	α-helix	trans	-64.3	-44.5	173.8	-76.8	0	0	0	0	112.7	L9 V110 T111 L112 R117 V118	L9-C114 WeakPolarHBondContact CD2-SG 3.41Å; V110-C114 PolarHBondContact O-N 2.84Å; T111-C114 PolarHBondContact O-N 2.9Å; L112-C114 VanDerWaalsContact C-N 3.31Å; L112-C114 PolarHBondContact O-N 3.07Å; C114-R117 PolarHBondContact O-N 2.79Å; C114-V118 WeakPolarHBondContact O-CG2 3.29Å; C114-V118 PolarHBondContact O-N 3.25Å
115	F	73	Confident	67.8	Low	127 Å²	127	106.6 Å²	106.6	56%	0.557	54%	0.535	S	S	*	.	H	α-helix	trans	-61.6	-44.9	178.7	-171.2	-94.5	0	0	0	111.8	T111 L112 R117 V118 K119	T111-F115 WeakPolarHBondContact O-CB 3.42Å; T111-F115 PolarHBondContact O-N 3.26Å; L112-F115 PolarHBondContact O-N 3.39Å; L112-F115 VanDerWaalsContact O-N 3.16Å; F115-R117 PolarHBondContact O-N 3.28Å; F115-V118 PolarHBondContact O-N 2.95Å; F115-K119 HydrophobicContact CE1-CD 4.04Å; F115-K119 HydrophobicContact CZ-CD 4.43Å; F115-K119 WeakPolarHBondContact O-CB 3.44Å; F115-K119 PolarHBondContact O-N 3.27Å
116	F	72.3	Confident	68.1	Low	126 Å²	126	106.9 Å²	106.9	55%	0.553	54%	0.535	S	S	*	.	H	α-helix	trans	-64.4	-38.7	176.7	-74.8	-67	0	0	0	112.6	L112 V118 K119 M120	L112-F116 HydrophobicContact CB-CD2 4.46Å; L112-F116 HydrophobicContact CB-CE2 4.33Å; L112-F116 HydrophobicContact CD2-CE2 4.41Å; L112-F116 WeakPolarHBondContact O-CD2 3.42Å; L112-F116 PolarHBondContact O-N 3.05Å; F116-V118 PolarHBondContact O-N 3.13Å; F116-K119 PolarHBondContact O-N 2.87Å; F116-M120 WeakPolarHBondContact O-CB 3.44Å; F116-M120 WeakPolarHBondContact O-CG 3.33Å; F116-M120 PolarHBondContact O-N 2.97Å; F116-M120 VanDerWaalsContact O-N 3.09Å
117	R	69.2	Low	68.2	Low	196 Å²	196	109.4 Å²	109.4	74%	0.74	54%	0.542	S	S	*	.	H	α-helix	trans	-68.1	-32.6	176.6	-71.8	-131.8	-170.9	-162.2	3.2	113.8	T113 C114 F115	T113-R117 WeakPolarHBondContact O-CG 3.27Å; T113-R117 PolarHBondContact O-N 2.89Å; T113-R117 VanDerWaalsContact O-N 3.1Å; C114-R117 PolarHBondContact O-N 2.79Å; F115-R117 PolarHBondContact O-N 3.28Å
118	V	65.6	Low	68.3	Low	99 Å²	99	113.4 Å²	113.4	60%	0.6	56%	0.557	S	S	*	*	H	α-helix	trans	-75.8	-37.9	177.1	173.3	0	0	0	0	111.2	C114 F115 F116	C114-V118 WeakPolarHBondContact O-CG2 3.29Å; C114-V118 PolarHBondContact O-N 3.25Å; F115-V118 PolarHBondContact O-N 2.95Å; F116-V118 PolarHBondContact O-N 3.13Å
119	K	60.9	Low	68.3	Low	164 Å²	164	115.8 Å²	115.8	71%	0.713	57%	0.568	S	S	*	*	H	α-helix	trans	-79.9	-23.4	-177.6	-152.4	-177.2	-178.6	-176.9	0	114	F115 F116 K121	F115-K119 HydrophobicContact CE1-CD 4.04Å; F115-K119 HydrophobicContact CZ-CD 4.43Å; F115-K119 WeakPolarHBondContact O-CB 3.44Å; F115-K119 PolarHBondContact O-N 3.27Å; F116-K119 PolarHBondContact O-N 2.87Å; K119-K121 VanDerWaalsContact C-N 3.27Å
120	M	56.1	Low	67.7	Low	166 Å²	166	119.1 Å²	119.1	82%	0.818	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	5.1	174.3	-67.9	-150.1	-51.2	0	0	113.9	F116	F116-M120 WeakPolarHBondContact O-CB 3.44Å; F116-M120 WeakPolarHBondContact O-CG 3.33Å; F116-M120 PolarHBondContact O-N 2.97Å; F116-M120 VanDerWaalsContact O-N 3.09Å
121	K	47.7	Very low	67.2	Low	221 Å²	221	127.2 Å²	127.2	96%	0.961	61%	0.613	S	S	*	*			trans	-119	0	176.2	-165.1	176.4	-174	170.6	0	110.1	K119	K119-K121 VanDerWaalsContact C-N 3.27Å

Retrieved 121 of 121 residues in 63.8 ms (Link to these results)

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