B8Y6H3_SCHMA Loading...

DIF_5

AlphaFold DB , UniProt , Accession B8Y6H3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 124 aa.

						>B8Y6H3_SCHMA|B8Y6H3
MKVLGICVILTLIFNGINCIKNKKVKCYRCSDCPNPFDKTQITELGNCNFCRTVYTYRDEDNYRIAKDCVASCVPQDRRGGKAGLVTECCDEDYCNASPKHYSISFLLITSFTIFITYTNKFIY
					

Structure Viewer

Loading PAE data...

(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	54.9	Low	65.2	Low	216 Å²	216	103.5 Å²	103.5	100%	1.064	57%	0.565	S	S	*	*				0	-37.9	0	-65.9	-179.7	71.9	0	0	115.8	V3	M1-V3 PolarHBondContact O-N 3.06Å
2	K	58.8	Low	65.3	Low	192 Å²	192	104.8 Å²	104.8	84%	0.835	57%	0.569	S	S	*	*	H	α-helix	trans	-67.8	-32.5	-177.9	-69	178.7	177.9	174.4	0	115
3	V	64.1	Low	65.4	Low	113 Å²	113	102.9 Å²	102.9	69%	0.685	56%	0.557	S	S	*	*	H	α-helix	trans	-69.7	-37.3	-177.2	-177.9	0	0	0	0	112.3	M1 G5 I6 C7	M1-V3 PolarHBondContact O-N 3.06Å; V3-G5 PolarHBondContact O-N 3.14Å; V3-I6 PolarHBondContact O-N 3.27Å; V3-C7 PolarHBondContact O-N 3.36Å
4	L	59.6	Low	65.3	Low	76 Å²	76	105.7 Å²	105.7	40%	0.398	56%	0.562	S	S	.	*	H	α-helix	trans	-65.9	-36.3	-178.7	-123.5	103.8	0	0	0	112.7	I6 C7 V8 K121	L4-I6 VanDerWaalsContact C-N 3.33Å; L4-I6 PolarHBondContact O-N 3.32Å; L4-C7 PolarHBondContact O-N 3.36Å; L4-V8 WeakPolarHBondContact O-CG2 3.39Å; L4-V8 PolarHBondContact O-N 2.89Å; L4-K121 HydrophobicContact CD2-CB 3.83Å; L4-K121 HydrophobicContact CD2-CD 4.06Å; L4-K121 HydrophobicContact CD2-CG 3.73Å
5	G	63.6	Low	64.9	Low	35 Å²	35	106.9 Å²	106.9	36%	0.361	57%	0.568	S	S	.	*	H	α-helix	trans	-64.9	-36.7	178.2	0	0	0	0	0	112.8	V3 V8 I9	V3-G5 PolarHBondContact O-N 3.14Å; G5-V8 PolarHBondContact O-N 3.39Å; G5-I9 VanDerWaalsContact O-CG1 3.32Å; G5-I9 WeakPolarHBondContact O-CG1 3.36Å; G5-I9 PolarHBondContact O-N 3.42Å; G5-I9 VanDerWaalsContact O-N 3.08Å
6	I	71.7	Confident	64.4	Low	104 Å²	104	103.2 Å²	103.2	53%	0.533	56%	0.564	S	S	.	*	H	α-helix	trans	-66.1	-42.1	177.9	-63	170.3	0	0	0	110.3	V3 L4 V8 I9 L10	V3-I6 PolarHBondContact O-N 3.27Å; L4-I6 VanDerWaalsContact C-N 3.33Å; L4-I6 PolarHBondContact O-N 3.32Å; I6-V8 PolarHBondContact O-N 2.92Å; I6-I9 PolarHBondContact O-N 3.48Å; I6-L10 HydrophobicContact CG2-CD1 3.9Å; I6-L10 HydrophobicContact CG2-CG 4.38Å; I6-L10 WeakPolarHBondContact O-CB 3.37Å; I6-L10 VanDerWaalsContact O-CG 3.29Å; I6-L10 WeakPolarHBondContact O-CG 3.3Å; I6-L10 PolarHBondContact O-N 3.19Å
7	C	66.9	Low	63.9	Low	71 Å²	71	104.5 Å²	104.5	48%	0.48	57%	0.569	S	S	.	*	H	α-helix	trans	-62.1	-42.3	176.9	-65.5	0	0	0	0	112.4	V3 L4 L10 T11	V3-C7 PolarHBondContact O-N 3.36Å; L4-C7 PolarHBondContact O-N 3.36Å; C7-L10 PolarHBondContact O-N 3.09Å; C7-T11 WeakPolarHBondContact O-CG2 3.26Å; C7-T11 PolarHBondContact O-N 2.84Å; C7-T11 PolarHBondContact O-OG1 2.8Å
8	V	69.8	Low	63.2	Low	73 Å²	73	103.9 Å²	103.9	44%	0.442	57%	0.565	S	S	.	*	H	α-helix	trans	-64.7	-44.3	178.3	175.7	0	0	0	0	111.2	L4 G5 I6 L10 T11 L12	L4-V8 WeakPolarHBondContact O-CG2 3.39Å; L4-V8 PolarHBondContact O-N 2.89Å; G5-V8 PolarHBondContact O-N 3.39Å; I6-V8 PolarHBondContact O-N 2.92Å; V8-L10 PolarHBondContact O-N 3.41Å; V8-T11 WeakPolarHBondContact CA-OG1 3.5Å; V8-T11 PolarHBondContact O-N 3.49Å; V8-T11 PolarHBondContact O-OG1 2.87Å; V8-L12 HydrophobicContact CG1-CD1 4.08Å; V8-L12 WeakPolarHBondContact O-CG 3.48Å; V8-L12 PolarHBondContact O-N 3.07Å
9	I	69.3	Low	62.8	Low	101 Å²	101	104.1 Å²	104.1	52%	0.518	57%	0.573	S	S	.	*	H	α-helix	trans	-62.2	-44.3	176.9	-68.4	168.3	0	0	0	110.3	G5 I6 T11 L12 I13	G5-I9 VanDerWaalsContact O-CG1 3.32Å; G5-I9 WeakPolarHBondContact O-CG1 3.36Å; G5-I9 PolarHBondContact O-N 3.42Å; G5-I9 VanDerWaalsContact O-N 3.08Å; I6-I9 PolarHBondContact O-N 3.48Å; I9-T11 PolarHBondContact O-N 2.95Å; I9-L12 PolarHBondContact O-N 3.23Å; I9-I13 HydrophobicContact CG2-CD1 3.54Å; I9-I13 HydrophobicContact CG2-CG1 4.23Å; I9-I13 WeakPolarHBondContact O-CB 3.38Å; I9-I13 WeakPolarHBondContact O-CG1 3.48Å; I9-I13 PolarHBondContact O-N 3.38Å
10	L	70.4	Confident	62.4	Low	83 Å²	83	105.9 Å²	105.9	44%	0.435	58%	0.581	S	S	.	*	H	α-helix	trans	-60.1	-44.3	175.4	-73.4	168.7	0	0	0	111.5	I6 C7 V8 L12 I13 F14	I6-L10 HydrophobicContact CG2-CD1 3.9Å; I6-L10 HydrophobicContact CG2-CG 4.38Å; I6-L10 WeakPolarHBondContact O-CB 3.37Å; I6-L10 VanDerWaalsContact O-CG 3.29Å; I6-L10 WeakPolarHBondContact O-CG 3.3Å; I6-L10 PolarHBondContact O-N 3.19Å; C7-L10 PolarHBondContact O-N 3.09Å; V8-L10 PolarHBondContact O-N 3.41Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L10-L12 PolarHBondContact O-N 3.22Å; L10-I13 PolarHBondContact O-N 3.41Å; L10-F14 WeakPolarHBondContact O-CB 3.48Å; L10-F14 VanDerWaalsContact O-CD2 3.29Å; L10-F14 WeakPolarHBondContact O-CD2 3.32Å; L10-F14 PolarHBondContact O-N 3.39Å
11	T	68.6	Low	62.2	Low	75 Å²	75	107.9 Å²	107.9	46%	0.46	58%	0.583	S	S	.	*	H	α-helix	trans	-64.3	-37.6	177.1	52.2	0	0	0	0	112.9	C7 V8 I9 N15	C7-T11 WeakPolarHBondContact O-CG2 3.26Å; C7-T11 PolarHBondContact O-N 2.84Å; C7-T11 PolarHBondContact O-OG1 2.8Å; V8-T11 WeakPolarHBondContact CA-OG1 3.5Å; V8-T11 PolarHBondContact O-N 3.49Å; V8-T11 PolarHBondContact O-OG1 2.87Å; I9-T11 PolarHBondContact O-N 2.95Å; T11-N15 WeakPolarHBondContact O-CB 3.28Å; T11-N15 PolarHBondContact O-N 3.08Å; T11-N15 PolarHBondContact O-ND2 3.47Å
12	L	66.3	Low	62.6	Low	118 Å²	118	104.8 Å²	104.8	62%	0.618	57%	0.571	S	S	*	*	H	α-helix	trans	-68.4	-38.1	175.1	-74.4	168.8	0	0	0	111.5	V8 I9 L10 G16	V8-L12 HydrophobicContact CG1-CD1 4.08Å; V8-L12 WeakPolarHBondContact O-CG 3.48Å; V8-L12 PolarHBondContact O-N 3.07Å; I9-L12 PolarHBondContact O-N 3.23Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L10-L12 PolarHBondContact O-N 3.22Å; L12-G16 WeakPolarHBondContact O-CA 3.4Å; L12-G16 PolarHBondContact O-N 3.47Å
13	I	66.4	Low	63.6	Low	81 Å²	81	100.3 Å²	100.3	42%	0.415	55%	0.552	S	S	.	*	H	α-helix	trans	-66.5	-46.4	175.1	-69.2	169.6	0	0	0	110.5	I9 L10 N15 G16 I17	I9-I13 HydrophobicContact CG2-CD1 3.54Å; I9-I13 HydrophobicContact CG2-CG1 4.23Å; I9-I13 WeakPolarHBondContact O-CB 3.38Å; I9-I13 WeakPolarHBondContact O-CG1 3.48Å; I9-I13 PolarHBondContact O-N 3.38Å; L10-I13 PolarHBondContact O-N 3.41Å; I13-N15 VanDerWaalsContact C-N 3.34Å; I13-N15 PolarHBondContact O-N 3.19Å; I13-G16 PolarHBondContact O-N 3.48Å; I13-I17 HydrophobicContact CG2-CD1 3.34Å; I13-I17 HydrophobicContact CG2-CG1 4.07Å; I13-I17 WeakPolarHBondContact O-CB 3.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.4Å; I13-I17 PolarHBondContact O-N 2.91Å
14	F	63.2	Low	64.9	Low	142 Å²	142	99.8 Å²	99.8	62%	0.623	54%	0.54	S	S	*	.	H	α-helix	trans	-63	-37.9	177.2	-91.7	-78.6	0	0	0	112.6	L10 N18	L10-F14 WeakPolarHBondContact O-CB 3.48Å; L10-F14 VanDerWaalsContact O-CD2 3.29Å; L10-F14 WeakPolarHBondContact O-CD2 3.32Å; L10-F14 PolarHBondContact O-N 3.39Å; F14-N18 PolarHBondContact O-ND2 3.03Å
15	N	60.2	Low	66.5	Low	123 Å²	123	96.3 Å²	96.3	66%	0.658	52%	0.522	S	S	*	.	H	α-helix	trans	-74.4	-38.5	174.6	-75.7	-64.3	0	0	0	112.2	T11 I13	T11-N15 WeakPolarHBondContact O-CB 3.28Å; T11-N15 PolarHBondContact O-N 3.08Å; T11-N15 PolarHBondContact O-ND2 3.47Å; I13-N15 VanDerWaalsContact C-N 3.34Å; I13-N15 PolarHBondContact O-N 3.19Å
16	G	57.3	Low	68.1	Low	48 Å²	48	99.5 Å²	99.5	50%	0.495	53%	0.526	S	S	.	.	H	α-helix	trans	-72.2	-34.5	-179.2	0	0	0	0	0	114.3	L12 I13 N18 C19	L12-G16 WeakPolarHBondContact O-CA 3.4Å; L12-G16 PolarHBondContact O-N 3.47Å; I13-G16 PolarHBondContact O-N 3.48Å; G16-N18 PolarHBondContact O-N 3.24Å; G16-C19 WeakPolarHBondContact O-CB 3.43Å; G16-C19 PolarHBondContact O-N 2.84Å
17	I	55.4	Low	69.3	Low	126 Å²	126	94.6 Å²	94.6	65%	0.646	50%	0.501	S	S	*	.	H	α-helix	trans	-67.9	-24.2	178.7	-69.7	169.7	0	0	0	111.8	I13 C19	I13-I17 HydrophobicContact CG2-CD1 3.34Å; I13-I17 HydrophobicContact CG2-CG1 4.07Å; I13-I17 WeakPolarHBondContact O-CB 3.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.4Å; I13-I17 PolarHBondContact O-N 2.91Å; I17-C19 PolarHBondContact O-N 2.92Å; I17-C19 VanDerWaalsContact O-N 3.15Å
18	N	51.9	Low	70.7	Confident	93 Å²	93	92.2 Å²	92.2	50%	0.497	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-1.4	177	-80.6	-62.5	0	0	0	113.9	F14 G16 I20	F14-N18 PolarHBondContact O-ND2 3.03Å; G16-N18 PolarHBondContact O-N 3.24Å; N18-I20 PolarHBondContact O-N 3.49Å
19	C	54.8	Low	72	Confident	108 Å²	108	94.3 Å²	94.3	73%	0.73	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	3	-168	-147.9	0	0	0	0	115.8	G16 I17	G16-C19 WeakPolarHBondContact O-CB 3.43Å; G16-C19 PolarHBondContact O-N 2.84Å; I17-C19 PolarHBondContact O-N 2.92Å; I17-C19 VanDerWaalsContact O-N 3.15Å
20	I	55.3	Low	73.3	Confident	140 Å²	140	90.4 Å²	90.4	72%	0.718	46%	0.463	S	S	*	.			trans	-141.3	77.5	173	-50.2	174.8	0	0	0	109.8	N18 N22	N18-I20 PolarHBondContact O-N 3.49Å; I20-N22 PolarHBondContact O-N 3.22Å
21	K	56.8	Low	74.5	Confident	147 Å²	147	91.8 Å²	91.8	64%	0.639	48%	0.48	S	S	*	.			trans	-86.1	96.1	164	-71.6	-175.2	-175.5	174	0	108.1	K23	K21-K23 HydrophobicContact CB-CB 3.95Å; K21-K23 PolarHBondContact O-N 3.36Å
22	N	65.2	Low	75.6	Confident	151 Å²	151	93 Å²	93	81%	0.807	48%	0.484	S	S	*	.			trans	-67.3	40.1	152.5	-77.5	-57.8	0	0	0	110.1	I20 K24	I20-N22 PolarHBondContact O-N 3.22Å; N22-K24 PolarHBondContact O-N 2.97Å
23	K	78.2	Confident	77	Confident	99 Å²	99	87.8 Å²	87.8	43%	0.43	46%	0.457	S	S	.	.			trans	-77.6	127.6	178.5	-177.2	-176.9	174.4	-163	0	106.5	K21 V25 D93	K21-K23 HydrophobicContact CB-CB 3.95Å; K21-K23 PolarHBondContact O-N 3.36Å; K23-V25 HydrophobicContact CD-CG1 4.32Å; K23-V25 HydrophobicContact CG-CG1 4.31Å; K23-D93 IonicContact NZ-OD2 3.64Å; K23-D93 PolarHBondContact NZ-OD2 2.03Å
24	K	91.6	Very high	78.2	Confident	102 Å²	102	85.6 Å²	85.6	44%	0.443	45%	0.448	S	S	.	.			trans	-83.5	132.6	167.5	-65.2	-59.6	-166.2	170.2	0	109.1	N22 N47 C48 N49	N22-K24 PolarHBondContact O-N 2.97Å; K24-N47 WeakPolarHBondContact CD-OD1 3.15Å; K24-N47 WeakPolarHBondContact CE-OD1 3.48Å; K24-N47 WeakPolarHBondContact CG-OD1 3.36Å; K24-C48 CarbonylContact C-O 3.46Å; K24-C48 VanDerWaalsContact CA-O 3.29Å; K24-C48 WeakPolarHBondContact CA-O 3.44Å; K24-N49 PolarHBondContact NZ-OD1 3.29Å
25	V	94.1	Very high	79.3	Confident	2 Å²	2	83.7 Å²	83.7	1%	0.012	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	162.4	-178	-59.1	0	0	0	0	111.8	K23 N47 C48 D91 D93	K23-V25 HydrophobicContact CD-CG1 4.32Å; K23-V25 HydrophobicContact CG-CG1 4.31Å; V25-N47 PolarHBondContact O-N 3.2Å; V25-C48 HydrophobicContact CG2-CB 3.87Å; V25-C48 PolarHBondContact N-O 3.34Å; V25-C48 VanDerWaalsContact O-CB 3.3Å; V25-C48 WeakPolarHBondContact O-CB 3.29Å; V25-C48 PolarHBondContact O-N 2.73Å; V25-D91 WeakPolarHBondContact CG1-O 3.37Å; V25-D93 VanDerWaalsContact CA-OD1 3.28Å; V25-D93 WeakPolarHBondContact CA-OD1 3.45Å
26	K	96	Very high	80.7	Confident	103 Å²	103	83.2 Å²	83.2	45%	0.448	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.2	168.9	-56.7	-175.8	-174.4	179.1	0	110.3	L45 C51 D93 Y94	K26-L45 CarbonylContact C-O 3.28Å; K26-L45 WeakPolarHBondContact CA-O 3.45Å; K26-C51 PolarHBondContact O-SG 2.81Å; K26-C51 VanDerWaalsContact O-SG 3.35Å; K26-D93 PolarHBondContact N-OD1 2.97Å; K26-D93 CarbonylContact O-C 3.56Å; K26-Y94 HydrophobicContact CB-CD1 4.16Å; K26-Y94 HydrophobicContact CB-CD2 4.44Å; K26-Y94 HydrophobicContact CB-CE1 3.72Å; K26-Y94 HydrophobicContact CB-CE2 4.02Å; K26-Y94 HydrophobicContact CD-CE1 4.35Å; K26-Y94 HydrophobicContact CD-CE2 3.83Å; K26-Y94 WeakPolarHBondContact CD-OH 3.27Å; K26-Y94 PolarHBondContact O-N 3.35Å
27	C	96.9	Very high	82.2	Confident	0 Å²	0	84 Å²	84	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.2	-178.7	-58.5	0	0	0	0	110.7	L45 C48 C51 C69	C27-L45 PolarHBondContact N-O 2.93Å; C27-L45 PolarHBondContact O-N 3.25Å; C27-C48 VanDerWaalsContact SG-CB 3.5Å; C27-C48 VanDerWaalsContact SG-SG 3.62Å; C27-C51 WeakPolarHBondContact CA-SG 3.22Å; C27-C51 HydrophobicContact CB-CB 3.73Å; C27-C51 WeakPolarHBondContact CB-SG 3.28Å; C27-C51 WeakPolarHBondContact SG-CA 3.36Å; C27-C51 WeakPolarHBondContact SG-CB 3.46Å; C27-C51 PolarHBondContact SG-N 3.49Å; C27-C51 CovalentContact SG-SG 2.03Å; C27-C51 PolarHBondContact SG-SG 3.35Å; C27-C69 HydrophobicContact CB-CB 4.47Å
28	Y	97.2	Very high	83.8	Confident	22 Å²	22	80.4 Å²	80.4	9%	0.086	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	146.2	165.6	-67.6	-60.2	0	0	0	111.4	F37 K39 I42 T43 E44 K67 Y94 N96 A97	Y28-F37 HydrophobicContact CD1-CZ 4.12Å; Y28-F37 HydrophobicContact CD2-CE1 4.11Å; Y28-F37 HydrophobicContact CD2-CE2 4.44Å; Y28-F37 AromaticContact CD2-CZ 3.54Å; Y28-F37 HydrophobicContact CD2-CZ 3.54Å; Y28-F37 HydrophobicContact CE1-CZ 4.42Å; Y28-F37 AromaticContact CE2-CE1 3.98Å; Y28-F37 HydrophobicContact CE2-CE1 3.98Å; Y28-F37 AromaticContact CE2-CZ 3.84Å; Y28-F37 HydrophobicContact CE2-CZ 3.84Å; Y28-F37 HydrophobicContact CG-CE2 4.42Å; Y28-F37 AromaticContact CG-CZ 3.69Å; Y28-F37 HydrophobicContact CG-CZ 3.69Å; Y28-K39 HydrophobicContact CE1-CB 4.45Å; Y28-I42 HydrophobicContact CD1-CG2 4.15Å; Y28-I42 HydrophobicContact CG-CG2 4.33Å; Y28-T43 CarbonylContact C-O 3.41Å; Y28-E44 HydrophobicContact CD1-CG 4Å; Y28-E44 HydrophobicContact CE1-CG 3.79Å; Y28-K67 WeakPolarHBondContact O-CB 3.4Å; Y28-Y94 HydrophobicContact CD1-CD1 4.25Å; Y28-Y94 HydrophobicContact CD2-CD1 4.27Å; Y28-Y94 AromaticContact CE1-CD1 3.79Å; Y28-Y94 HydrophobicContact CE1-CD1 3.79Å; Y28-Y94 HydrophobicContact CE1-CE1 4.16Å; Y28-Y94 AromaticContact CE2-CD1 3.84Å; Y28-Y94 HydrophobicContact CE2-CD1 3.84Å; Y28-Y94 HydrophobicContact CE2-CG 4.1Å; Y28-Y94 HydrophobicContact CG-CD1 4.46Å; Y28-Y94 AromaticContact CZ-CD1 3.56Å; Y28-N96 PolarHBondContact N-OD1 2.98Å; Y28-N96 PolarHBondContact O-ND2 2.88Å; Y28-A97 HydrophobicContact CD2-CB 4.1Å; Y28-A97 HydrophobicContact CE2-CB 3.78Å
29	R	96.9	Very high	85.6	Confident	117 Å²	117	82.3 Å²	82.3	44%	0.442	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.8	177.5	173.4	173.9	175.2	129.9	-9	112.2	I42 T43 L45 K67 D68	R29-I42 VanDerWaalsContact O-CG2 3.22Å; R29-I42 WeakPolarHBondContact O-CG2 3.4Å; R29-T43 PolarHBondContact N-O 3.44Å; R29-T43 PolarHBondContact O-N 2.81Å; R29-T43 VanDerWaalsContact O-N 3.15Å; R29-L45 HydrophobicContact CB-CD1 3.95Å; R29-L45 HydrophobicContact CB-CG 4.03Å; R29-L45 HydrophobicContact CG-CD1 4.28Å; R29-K67 VanDerWaalsContact CA-O 3.29Å; R29-K67 WeakPolarHBondContact CA-O 3.19Å; R29-D68 WeakPolarHBondContact CD-OD1 3.43Å; R29-D68 IonicContact CZ-OD1 2.81Å; R29-D68 IonicContact NE-OD1 3.5Å; R29-D68 IonicContact NH1-OD1 3.85Å; R29-D68 PolarHBondContact NH1-OD1 3.33Å; R29-D68 IonicContact NH1-OD2 3.1Å; R29-D68 PolarHBondContact NH1-OD2 2.86Å
30	C	96.5	Very high	87.3	Confident	18 Å²	18	82.6 Å²	82.6	12%	0.122	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-160.7	144.3	173.7	35.9	0	0	0	0	109.9	C33 I42 A66 K67	C30-C33 HydrophobicContact CB-CB 3.97Å; C30-C33 WeakPolarHBondContact CB-SG 3.41Å; C30-C33 WeakPolarHBondContact SG-CB 3.28Å; C30-C33 CovalentContact SG-SG 2.01Å; C30-C33 PolarHBondContact SG-SG 3.19Å; C30-I42 HydrophobicContact CB-CD1 3.61Å; C30-I42 HydrophobicContact CB-CG2 4.13Å; C30-I42 VanDerWaalsContact SG-CD1 3.54Å; C30-A66 CarbonylContact O-C 3.59Å; C30-A66 WeakPolarHBondContact O-CA 3.29Å; C30-K67 PolarHBondContact N-O 3.25Å; C30-K67 PolarHBondContact O-N 2.94Å; C30-K67 VanDerWaalsContact O-O 3.12Å
31	S	94.8	Very high	88.8	Confident	113 Å²	113	82.2 Å²	82.2	79%	0.79	42%	0.417	S	S	*	.	S	Bend	trans	-87.5	-27.1	175	51	0	0	0	0	113.1
32	D	93.7	Very high	90.6	Very high	100 Å²	100	76.3 Å²	76.3	54%	0.535	39%	0.392	S	S	.	.	S	Bend	trans	-142.2	83.2	175.8	-161.2	24.3	0	0	0	107.6	I65	D32-I65 WeakPolarHBondContact CA-O 2.99Å
33	C	93.9	Very high	92	Very high	9 Å²	9	73.1 Å²	73.1	6%	0.061	38%	0.379	C	S	.	.			trans	-75	142.8	-172.7	-45.5	0	0	0	0	110.5	C30 I42 I65	C30-C33 HydrophobicContact CB-CB 3.97Å; C30-C33 WeakPolarHBondContact CB-SG 3.41Å; C30-C33 WeakPolarHBondContact SG-CB 3.28Å; C30-C33 CovalentContact SG-SG 2.01Å; C30-C33 PolarHBondContact SG-SG 3.19Å; C33-I42 HydrophobicContact CB-CD1 4.43Å; C33-I65 HydrophobicContact CB-CB 4.03Å; C33-I65 HydrophobicContact CB-CG2 4.08Å; C33-I65 PolarHBondContact N-O 3.17Å; C33-I65 PolarHBondContact SG-O 3.36Å
34	P	92.2	Very high	92.9	Very high	34 Å²	34	73.3 Å²	73.3	22%	0.221	38%	0.381	C	S	.	.			trans	-62.5	147.1	173.9	28.6	-34	0	0	0	110.6	P36 F37 D38 Q41 I42	P34-P36 CarbonylContact C-O 3.58Å; P34-P36 VanDerWaalsContact C-O 3.28Å; P34-P36 CarbonylContact O-C 3.54Å; P34-F37 WeakPolarHBondContact O-CA 3.29Å; P34-D38 HydrophobicContact CG-CB 4.05Å; P34-Q41 HydrophobicContact CG-CB 4.47Å; P34-I42 HydrophobicContact CG-CD1 4.09Å
35	N	87.3	Confident	93.1	Very high	103 Å²	103	70.9 Å²	70.9	55%	0.551	37%	0.373	S	S	*	.	S	Bend	trans	-131.3	112.8	172.2	-173.5	34.8	0	0	0	108.1	Y63 I65	N35-Y63 PolarHBondContact ND2-OH 2.85Å; N35-I65 HydrophobicContact CB-CD1 4Å
36	P	88.6	Confident	93.1	Very high	113 Å²	113	73 Å²	73	73%	0.734	39%	0.394	S	S	*	.	S	Bend	cis	-65	155.3	5.2	28.8	-36.1	0	0	0	113.4	P34 D38	P34-P36 CarbonylContact C-O 3.58Å; P34-P36 VanDerWaalsContact C-O 3.28Å; P34-P36 CarbonylContact O-C 3.54Å; P36-D38 PolarHBondContact O-N 2.97Å
37	F	88.8	Confident	93	Very high	63 Å²	63	73.6 Å²	73.6	28%	0.276	40%	0.403	S	S	.	.			trans	-63.9	124.3	-177.8	179	-103.8	0	0	0	111.6	Y28 P34 K39 I42 K67 A97	Y28-F37 HydrophobicContact CD1-CZ 4.12Å; Y28-F37 HydrophobicContact CD2-CE1 4.11Å; Y28-F37 HydrophobicContact CD2-CE2 4.44Å; Y28-F37 AromaticContact CD2-CZ 3.54Å; Y28-F37 HydrophobicContact CD2-CZ 3.54Å; Y28-F37 HydrophobicContact CE1-CZ 4.42Å; Y28-F37 AromaticContact CE2-CE1 3.98Å; Y28-F37 HydrophobicContact CE2-CE1 3.98Å; Y28-F37 AromaticContact CE2-CZ 3.84Å; Y28-F37 HydrophobicContact CE2-CZ 3.84Å; Y28-F37 HydrophobicContact CG-CE2 4.42Å; Y28-F37 AromaticContact CG-CZ 3.69Å; Y28-F37 HydrophobicContact CG-CZ 3.69Å; P34-F37 WeakPolarHBondContact O-CA 3.29Å; F37-K39 HydrophobicContact CE1-CB 3.95Å; F37-K39 HydrophobicContact CZ-CB 4.35Å; F37-I42 HydrophobicContact CE2-CG1 3.85Å; F37-I42 HydrophobicContact CE2-CG2 4.4Å; F37-I42 HydrophobicContact CZ-CG1 4.27Å; F37-K67 HydrophobicContact CD2-CD 4.48Å; F37-K67 HydrophobicContact CE2-CD 4.1Å; F37-A97 WeakPolarHBondContact CB-O 3.5Å; F37-A97 HydrophobicContact CD1-CB 4.2Å; F37-A97 VanDerWaalsContact CD1-O 3.29Å; F37-A97 WeakPolarHBondContact CD1-O 3.45Å; F37-A97 HydrophobicContact CE1-CB 3.88Å; F37-A97 WeakPolarHBondContact CG-O 3.45Å
38	D	89.6	Confident	92.9	Very high	51 Å²	51	73.7 Å²	73.7	27%	0.273	40%	0.403	S	S	.	.			trans	-120	108.1	174.3	178.3	-0.3	0	0	0	109.6	P34 P36 T40 Q41 I42	P34-D38 HydrophobicContact CG-CB 4.05Å; P36-D38 PolarHBondContact O-N 2.97Å; D38-T40 PolarHBondContact O-N 2.8Å; D38-T40 VanDerWaalsContact O-N 3.14Å; D38-T40 WeakPolarHBondContact OD1-CB 3.44Å; D38-T40 PolarHBondContact OD1-N 2.96Å; D38-T40 PolarHBondContact OD1-OG1 3.28Å; D38-T40 PolarHBondContact OD2-OG1 3.04Å; D38-T40 VanDerWaalsContact OD2-OG1 3.06Å; D38-Q41 PolarHBondContact O-N 2.98Å; D38-Q41 PolarHBondContact OD2-NE2 3.44Å; D38-I42 VanDerWaalsContact O-CG1 3.22Å; D38-I42 WeakPolarHBondContact O-CG1 3.48Å
39	K	88.8	Confident	92.7	Very high	134 Å²	134	75.3 Å²	75.3	58%	0.583	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-60.3	-21.7	-179.1	66.6	178.8	-178.3	177.6	0	114.1	Y28 F37 Q41	Y28-K39 HydrophobicContact CE1-CB 4.45Å; F37-K39 HydrophobicContact CE1-CB 3.95Å; F37-K39 HydrophobicContact CZ-CB 4.35Å; K39-Q41 PolarHBondContact O-N 3.42Å
40	T	90	Very high	92.7	Very high	113 Å²	113	72.9 Å²	72.9	69%	0.693	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-74	-16.6	-176.8	67.3	0	0	0	0	113	D38	D38-T40 PolarHBondContact O-N 2.8Å; D38-T40 VanDerWaalsContact O-N 3.14Å; D38-T40 WeakPolarHBondContact OD1-CB 3.44Å; D38-T40 PolarHBondContact OD1-N 2.96Å; D38-T40 PolarHBondContact OD1-OG1 3.28Å; D38-T40 PolarHBondContact OD2-OG1 3.04Å; D38-T40 VanDerWaalsContact OD2-OG1 3.06Å
41	Q	88.7	Confident	92.6	Very high	132 Å²	132	72 Å²	72	62%	0.617	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-102.9	12.8	-177.3	-58.8	-177.5	48.6	0	0	112.7	P34 D38 K39	P34-Q41 HydrophobicContact CG-CB 4.47Å; D38-Q41 PolarHBondContact O-N 2.98Å; D38-Q41 PolarHBondContact OD2-NE2 3.44Å; K39-Q41 PolarHBondContact O-N 3.42Å
42	I	92.9	Very high	92.7	Very high	23 Å²	23	70.7 Å²	70.7	12%	0.118	38%	0.378	C	S	.	.	S	Bend	trans	-129.8	143.2	-165	-50.3	-61.2	0	0	0	110.8	Y28 R29 C30 C33 P34 F37 D38	Y28-I42 HydrophobicContact CD1-CG2 4.15Å; Y28-I42 HydrophobicContact CG-CG2 4.33Å; R29-I42 VanDerWaalsContact O-CG2 3.22Å; R29-I42 WeakPolarHBondContact O-CG2 3.4Å; C30-I42 HydrophobicContact CB-CD1 3.61Å; C30-I42 HydrophobicContact CB-CG2 4.13Å; C30-I42 VanDerWaalsContact SG-CD1 3.54Å; C33-I42 HydrophobicContact CB-CD1 4.43Å; P34-I42 HydrophobicContact CG-CD1 4.09Å; F37-I42 HydrophobicContact CE2-CG1 3.85Å; F37-I42 HydrophobicContact CE2-CG2 4.4Å; F37-I42 HydrophobicContact CZ-CG1 4.27Å; D38-I42 VanDerWaalsContact O-CG1 3.22Å; D38-I42 WeakPolarHBondContact O-CG1 3.48Å
43	T	95.8	Very high	92.9	Very high	85 Å²	85	66.1 Å²	66.1	52%	0.521	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.6	175.4	-54.7	0	0	0	0	110.3	Y28 R29 L45	Y28-T43 CarbonylContact C-O 3.41Å; R29-T43 PolarHBondContact N-O 3.44Å; R29-T43 PolarHBondContact O-N 2.81Å; R29-T43 VanDerWaalsContact O-N 3.15Å; T43-L45 HydrophobicContact CG2-CD2 4.23Å
44	E	96.6	Very high	93	Very high	102 Å²	102	67 Å²	67	48%	0.477	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.4	168.7	-62.5	-170.3	-175.9	0	0	110.5	Y28 Y94	Y28-E44 HydrophobicContact CD1-CG 4Å; Y28-E44 HydrophobicContact CE1-CG 3.79Å; E44-Y94 HydrophobicContact CB-CE1 4.29Å; E44-Y94 HydrophobicContact CG-CE1 3.99Å; E44-Y94 WeakPolarHBondContact OE2-CE1 3.21Å; E44-Y94 PolarHBondContact OE2-OH 3.33Å
45	L	95.9	Very high	93.2	Very high	52 Å²	52	65.8 Å²	65.8	27%	0.272	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.6	172.5	-66.1	-173.2	0	0	0	110.4	K26 C27 R29 T43 C69	K26-L45 CarbonylContact C-O 3.28Å; K26-L45 WeakPolarHBondContact CA-O 3.45Å; C27-L45 PolarHBondContact N-O 2.93Å; C27-L45 PolarHBondContact O-N 3.25Å; R29-L45 HydrophobicContact CB-CD1 3.95Å; R29-L45 HydrophobicContact CB-CG 4.03Å; R29-L45 HydrophobicContact CG-CD1 4.28Å; T43-L45 HydrophobicContact CG2-CD2 4.23Å; L45-C69 HydrophobicContact CB-CB 4.14Å; L45-C69 HydrophobicContact CD1-CB 3.59Å
46	G	94	Very high	93.6	Very high	45 Å²	45	63.8 Å²	63.8	46%	0.464	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	179.5	170.9	0	0	0	0	0	112	C48	G46-C48 VanDerWaalsContact C-N 3.26Å; G46-C48 PolarHBondContact O-N 2.86Å
47	N	94.1	Very high	94	Very high	117 Å²	117	60.5 Å²	60.5	63%	0.626	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	63.5	27.1	176.8	-160.3	24.5	0	0	0	114.8	K24 V25	K24-N47 WeakPolarHBondContact CD-OD1 3.15Å; K24-N47 WeakPolarHBondContact CE-OD1 3.48Å; K24-N47 WeakPolarHBondContact CG-OD1 3.36Å; V25-N47 PolarHBondContact O-N 3.2Å
48	C	94.4	Very high	94.2	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.007	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	152.8	179.8	-54.2	0	0	0	0	111.7	K24 V25 C27 G46 C69	K24-C48 CarbonylContact C-O 3.46Å; K24-C48 VanDerWaalsContact CA-O 3.29Å; K24-C48 WeakPolarHBondContact CA-O 3.44Å; V25-C48 HydrophobicContact CG2-CB 3.87Å; V25-C48 PolarHBondContact N-O 3.34Å; V25-C48 VanDerWaalsContact O-CB 3.3Å; V25-C48 WeakPolarHBondContact O-CB 3.29Å; V25-C48 PolarHBondContact O-N 2.73Å; C27-C48 VanDerWaalsContact SG-CB 3.5Å; C27-C48 VanDerWaalsContact SG-SG 3.62Å; G46-C48 VanDerWaalsContact C-N 3.26Å; G46-C48 PolarHBondContact O-N 2.86Å; C48-C69 WeakPolarHBondContact CA-SG 3.4Å; C48-C69 HydrophobicContact CB-CB 4.06Å; C48-C69 WeakPolarHBondContact CB-SG 3.45Å; C48-C69 WeakPolarHBondContact SG-CB 3.47Å; C48-C69 CovalentContact SG-SG 2.01Å; C48-C69 PolarHBondContact SG-SG 2.83Å
49	N	94.1	Very high	94.3	Very high	56 Å²	56	65.4 Å²	65.4	30%	0.299	33%	0.332	S	S	.	.	S	Bend	trans	-88.3	-43	165.6	-68.2	-4.9	0	0	0	110.2	K24 A71	K24-N49 PolarHBondContact NZ-OD1 3.29Å; N49-A71 WeakPolarHBondContact CB-O 3.38Å; N49-A71 PolarHBondContact ND2-O 3.09Å
50	F	95.3	Very high	94.1	Very high	67 Å²	67	64.5 Å²	64.5	29%	0.294	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	145	179.2	-57.4	-83.6	0	0	0	110.5	V70 C73 C90 D91	F50-V70 HydrophobicContact CB-CG2 4.07Å; F50-V70 PolarHBondContact N-O 3.25Å; F50-V70 VanDerWaalsContact N-O 3.08Å; F50-V70 PolarHBondContact O-N 2.79Å; F50-C73 HydrophobicContact CB-CB 3.74Å; F50-C73 HydrophobicContact CD2-CB 4.44Å; F50-C73 HydrophobicContact CG-CB 4.04Å; F50-C90 CarbonylContact C-O 3.59Å; F50-C90 WeakPolarHBondContact CA-O 3.32Å; F50-D91 HydrophobicContact CD1-CB 3.9Å; F50-D91 HydrophobicContact CE1-CB 4.07Å
51	C	96	Very high	94.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.9	163.7	-50	0	0	0	0	108.8	K26 C27 C89 C90 C95 N96	K26-C51 PolarHBondContact O-SG 2.81Å; K26-C51 VanDerWaalsContact O-SG 3.35Å; C27-C51 WeakPolarHBondContact CA-SG 3.22Å; C27-C51 HydrophobicContact CB-CB 3.73Å; C27-C51 WeakPolarHBondContact CB-SG 3.28Å; C27-C51 WeakPolarHBondContact SG-CA 3.36Å; C27-C51 WeakPolarHBondContact SG-CB 3.46Å; C27-C51 PolarHBondContact SG-N 3.49Å; C27-C51 CovalentContact SG-SG 2.03Å; C27-C51 PolarHBondContact SG-SG 3.35Å; C51-C89 WeakPolarHBondContact O-CA 3.15Å; C51-C90 PolarHBondContact N-O 2.75Å; C51-C90 PolarHBondContact O-N 3.24Å; C51-C95 VanDerWaalsContact SG-SG 3.63Å; C51-N96 HydrophobicContact CB-CB 3.78Å
52	R	96.6	Very high	94.2	Very high	85 Å²	85	63 Å²	63	32%	0.321	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137	177.8	-176.1	177.2	64.1	-170.9	-2.4	109.9	V54 K67 D68 V70 T87 E88	R52-V54 HydrophobicContact CG-CG2 3.96Å; R52-K67 VanDerWaalsContact O-CA 3.29Å; R52-K67 WeakPolarHBondContact O-CA 3.13Å; R52-D68 PolarHBondContact N-O 3.27Å; R52-D68 PolarHBondContact O-N 3.48Å; R52-V70 HydrophobicContact CB-CG1 4.33Å; R52-V70 HydrophobicContact CB-CG2 3.97Å; R52-T87 HydrophobicContact CG-CG2 3.83Å; R52-E88 WeakPolarHBondContact CA-O 3.37Å
53	T	96.9	Very high	94.2	Very high	4 Å²	4	65.2 Å²	65.2	3%	0.025	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.4	163.2	-55	0	0	0	0	108.4	Y55 I65 A66 K67 T87 E88	T53-Y55 HydrophobicContact CG2-CD2 4.08Å; T53-Y55 HydrophobicContact CG2-CE1 4.3Å; T53-Y55 HydrophobicContact CG2-CE2 3.44Å; T53-Y55 VanDerWaalsContact CG2-CE2 3.44Å; T53-I65 HydrophobicContact CG2-CG2 3.77Å; T53-A66 CarbonylContact C-O 3.47Å; T53-A66 WeakPolarHBondContact CA-O 3.04Å; T53-K67 HydrophobicContact CG2-CG 4.12Å; T53-K67 PolarHBondContact OG1-NZ 2.77Å; T53-T87 WeakPolarHBondContact O-CA 3.38Å; T53-E88 PolarHBondContact N-O 3.4Å; T53-E88 PolarHBondContact O-N 3.4Å
54	V	96.8	Very high	94.1	Very high	26 Å²	26	67.2 Å²	67.2	16%	0.158	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.5	174.1	-177.9	0	0	0	0	108.5	R52 A66 L85 V86 T87	R52-V54 HydrophobicContact CG-CG2 3.96Å; V54-A66 PolarHBondContact N-O 2.95Å; V54-A66 PolarHBondContact O-N 3.21Å; V54-L85 HydrophobicContact CG1-CD2 3.99Å; V54-V86 CarbonylContact C-O 3.53Å; V54-V86 WeakPolarHBondContact CA-O 3.41Å; V54-T87 HydrophobicContact CG2-CG2 4.44Å
55	Y	95.7	Very high	94.1	Very high	10 Å²	10	63 Å²	63	4%	0.039	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.2	171.8	-58.1	-94.3	0	0	0	108.6	T53 Y57 Y63 R64 I65 L85 V86 E88	T53-Y55 HydrophobicContact CG2-CD2 4.08Å; T53-Y55 HydrophobicContact CG2-CE1 4.3Å; T53-Y55 HydrophobicContact CG2-CE2 3.44Å; T53-Y55 VanDerWaalsContact CG2-CE2 3.44Å; Y55-Y57 HydrophobicContact CG-CE2 4.11Å; Y55-Y63 AromaticContact CD1-CD2 3.84Å; Y55-Y63 HydrophobicContact CD1-CD2 3.84Å; Y55-Y63 AromaticContact CD1-CE2 3.88Å; Y55-Y63 HydrophobicContact CD1-CE2 3.88Å; Y55-Y63 HydrophobicContact CE1-CE2 4.2Å; Y55-R64 CarbonylContact C-O 3.45Å; Y55-R64 WeakPolarHBondContact CA-O 3.02Å; Y55-I65 HydrophobicContact CD1-CG1 4.01Å; Y55-I65 HydrophobicContact CE1-CD1 4.23Å; Y55-I65 HydrophobicContact CE1-CG1 4.06Å; Y55-I65 HydrophobicContact CE1-CG2 4.38Å; Y55-L85 CarbonylContact O-C 3.55Å; Y55-L85 VanDerWaalsContact O-CA 3.32Å; Y55-L85 WeakPolarHBondContact O-CA 2.95Å; Y55-V86 HydrophobicContact CD2-CB 4.32Å; Y55-V86 PolarHBondContact N-O 2.68Å; Y55-V86 PolarHBondContact O-N 2.99Å; Y55-E88 HydrophobicContact CE2-CG 4.04Å
56	T	96.6	Very high	94.1	Very high	61 Å²	61	62 Å²	62	37%	0.374	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	94.8	174.5	-52.4	0	0	0	0	108.6	Y63 R64 L85	T56-Y63 CarbonylContact O-C 3.6Å; T56-Y63 WeakPolarHBondContact O-CA 3.28Å; T56-R64 PolarHBondContact N-O 3.15Å; T56-R64 PolarHBondContact O-N 3.37Å; T56-L85 HydrophobicContact CG2-CD2 3.87Å; T56-L85 VanDerWaalsContact OG1-CD2 3.25Å; T56-L85 WeakPolarHBondContact OG1-CD2 3.25Å
57	Y	96.3	Very high	94.3	Very high	43 Å²	43	60.3 Å²	60.3	17%	0.169	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.5	179.1	-67.6	-91.8	0	0	0	110.2	Y55 D59 Y63 R79 A83 G84 V86	Y55-Y57 HydrophobicContact CG-CE2 4.11Å; Y57-D59 WeakPolarHBondContact CD1-O 3.29Å; Y57-Y63 HydrophobicContact CD1-CD1 4.11Å; Y57-Y63 HydrophobicContact CD1-CG 4.06Å; Y57-Y63 AromaticContact CE1-CD1 3.78Å; Y57-Y63 HydrophobicContact CE1-CD1 3.78Å; Y57-Y63 HydrophobicContact CE1-CE1 4.46Å; Y57-Y63 AromaticContact CE1-CG 3.85Å; Y57-Y63 HydrophobicContact CE1-CG 3.85Å; Y57-R79 HydrophobicContact CD2-CG 4.45Å; Y57-A83 WeakPolarHBondContact O-CA 3.33Å; Y57-G84 PolarHBondContact N-O 3.19Å; Y57-G84 PolarHBondContact O-N 3.19Å; Y57-V86 HydrophobicContact CD2-CG2 3.95Å; Y57-V86 HydrophobicContact CE2-CB 4.06Å; Y57-V86 HydrophobicContact CE2-CG2 3.59Å
58	R	93.4	Very high	94.4	Very high	151 Å²	151	56.5 Å²	56.5	57%	0.57	27%	0.268	S	S	*	.	S	Bend	trans	-88.6	-37.8	164	-67.7	-179.9	174.6	-179.6	-2.4	110.4	N62 A83	R58-N62 HydrophobicContact CB-CB 4.42Å; R58-N62 PolarHBondContact N-O 3.32Å; R58-A83 WeakPolarHBondContact O-CB 3.17Å
59	D	91.5	Very high	94.5	Very high	66 Å²	66	58 Å²	58	35%	0.353	28%	0.278	S	S	.	.	S	Bend	trans	-148.3	-169.1	168.6	59.3	60.8	0	0	0	108.7	Y57 D61 N62 K82	Y57-D59 WeakPolarHBondContact CD1-O 3.29Å; D59-D61 VanDerWaalsContact C-N 3.33Å; D59-D61 PolarHBondContact O-N 2.97Å; D59-D61 PolarHBondContact OD1-N 2.87Å; D59-N62 VanDerWaalsContact CG-CB 3.48Å; D59-N62 PolarHBondContact N-O 3.09Å; D59-N62 VanDerWaalsContact OD1-CB 3.23Å; D59-N62 WeakPolarHBondContact OD1-CB 3.44Å; D59-N62 PolarHBondContact OD1-N 2.87Å; D59-N62 VanDerWaalsContact OD2-CB 3.24Å; D59-N62 WeakPolarHBondContact OD2-CB 3.42Å; D59-K82 CarbonylContact C-O 3.53Å
60	E	85.5	Confident	94.6	Very high	115 Å²	115	56.3 Å²	56.3	54%	0.537	27%	0.269	S	S	.	.	S	Bend	trans	-65.1	-33.3	-175.2	-174.6	166.9	-164.5	0	0	113.5	K82	E60-K82 HydrophobicContact CB-CD 4.11Å; E60-K82 WeakPolarHBondContact OE2-CE 3.25Å; E60-K82 IonicContact OE2-NZ 2.68Å; E60-K82 PolarHBondContact OE2-NZ 3.49Å
61	D	88	Confident	94.5	Very high	142 Å²	142	56.9 Å²	56.9	76%	0.759	29%	0.286	S	S	*	.	S	Bend	trans	-107.3	-19.7	-174.6	-61.8	-47.1	0	0	0	112.3	D59	D59-D61 VanDerWaalsContact C-N 3.33Å; D59-D61 PolarHBondContact O-N 2.97Å; D59-D61 PolarHBondContact OD1-N 2.87Å
62	N	90.8	Very high	94.5	Very high	73 Å²	73	61 Å²	61	39%	0.39	32%	0.315	S	S	.	.			trans	-104.5	98.7	-178.4	-165.5	-23.1	0	0	0	110.6	R58 D59	R58-N62 HydrophobicContact CB-CB 4.42Å; R58-N62 PolarHBondContact N-O 3.32Å; D59-N62 VanDerWaalsContact CG-CB 3.48Å; D59-N62 PolarHBondContact N-O 3.09Å; D59-N62 VanDerWaalsContact OD1-CB 3.23Å; D59-N62 WeakPolarHBondContact OD1-CB 3.44Å; D59-N62 PolarHBondContact OD1-N 2.87Å; D59-N62 VanDerWaalsContact OD2-CB 3.24Å; D59-N62 WeakPolarHBondContact OD2-CB 3.42Å
63	Y	93.6	Very high	94.4	Very high	69 Å²	69	58 Å²	58	27%	0.271	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.4	177.4	62.9	-86.9	0	0	0	112.1	N35 Y55 T56 Y57 I65	N35-Y63 PolarHBondContact ND2-OH 2.85Å; Y55-Y63 AromaticContact CD1-CD2 3.84Å; Y55-Y63 HydrophobicContact CD1-CD2 3.84Å; Y55-Y63 AromaticContact CD1-CE2 3.88Å; Y55-Y63 HydrophobicContact CD1-CE2 3.88Å; Y55-Y63 HydrophobicContact CE1-CE2 4.2Å; T56-Y63 CarbonylContact O-C 3.6Å; T56-Y63 WeakPolarHBondContact O-CA 3.28Å; Y57-Y63 HydrophobicContact CD1-CD1 4.11Å; Y57-Y63 HydrophobicContact CD1-CG 4.06Å; Y57-Y63 AromaticContact CE1-CD1 3.78Å; Y57-Y63 HydrophobicContact CE1-CD1 3.78Å; Y57-Y63 HydrophobicContact CE1-CE1 4.46Å; Y57-Y63 AromaticContact CE1-CG 3.85Å; Y57-Y63 HydrophobicContact CE1-CG 3.85Å; Y63-I65 HydrophobicContact CD2-CD1 4.42Å; Y63-I65 HydrophobicContact CD2-CG1 3.79Å; Y63-I65 HydrophobicContact CE2-CD1 3.75Å; Y63-I65 HydrophobicContact CE2-CG1 3.63Å
64	R	94.8	Very high	94.3	Very high	126 Å²	126	61.8 Å²	61.8	48%	0.475	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	145.5	170.1	-68	-176.1	176.2	179	-7.3	110.4	Y55 T56	Y55-R64 CarbonylContact C-O 3.45Å; Y55-R64 WeakPolarHBondContact CA-O 3.02Å; T56-R64 PolarHBondContact N-O 3.15Å; T56-R64 PolarHBondContact O-N 3.37Å
65	I	95.6	Very high	94.2	Very high	13 Å²	13	64.7 Å²	64.7	7%	0.067	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.7	178.9	-50.9	174.3	0	0	0	108.1	D32 C33 N35 T53 Y55 Y63 K67	D32-I65 WeakPolarHBondContact CA-O 2.99Å; C33-I65 HydrophobicContact CB-CB 4.03Å; C33-I65 HydrophobicContact CB-CG2 4.08Å; C33-I65 PolarHBondContact N-O 3.17Å; C33-I65 PolarHBondContact SG-O 3.36Å; N35-I65 HydrophobicContact CB-CD1 4Å; T53-I65 HydrophobicContact CG2-CG2 3.77Å; Y55-I65 HydrophobicContact CD1-CG1 4.01Å; Y55-I65 HydrophobicContact CE1-CD1 4.23Å; Y55-I65 HydrophobicContact CE1-CG1 4.06Å; Y55-I65 HydrophobicContact CE1-CG2 4.38Å; Y63-I65 HydrophobicContact CD2-CD1 4.42Å; Y63-I65 HydrophobicContact CD2-CG1 3.79Å; Y63-I65 HydrophobicContact CE2-CD1 3.75Å; Y63-I65 HydrophobicContact CE2-CG1 3.63Å; I65-K67 HydrophobicContact CG2-CG 4.32Å
66	A	96.6	Very high	94.2	Very high	33 Å²	33	68 Å²	68	27%	0.273	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.8	167.2	0	0	0	0	0	109.6	C30 T53 V54	C30-A66 CarbonylContact O-C 3.59Å; C30-A66 WeakPolarHBondContact O-CA 3.29Å; T53-A66 CarbonylContact C-O 3.47Å; T53-A66 WeakPolarHBondContact CA-O 3.04Å; V54-A66 PolarHBondContact N-O 2.95Å; V54-A66 PolarHBondContact O-N 3.21Å
67	K	97	Very high	94.1	Very high	8 Å²	8	69.4 Å²	69.4	4%	0.035	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.5	178.5	-65.1	175.3	-168.2	-64.5	0	109.4	Y28 R29 C30 F37 R52 T53 I65 N96	Y28-K67 WeakPolarHBondContact O-CB 3.4Å; R29-K67 VanDerWaalsContact CA-O 3.29Å; R29-K67 WeakPolarHBondContact CA-O 3.19Å; C30-K67 PolarHBondContact N-O 3.25Å; C30-K67 PolarHBondContact O-N 2.94Å; C30-K67 VanDerWaalsContact O-O 3.12Å; F37-K67 HydrophobicContact CD2-CD 4.48Å; F37-K67 HydrophobicContact CE2-CD 4.1Å; R52-K67 VanDerWaalsContact O-CA 3.29Å; R52-K67 WeakPolarHBondContact O-CA 3.13Å; T53-K67 HydrophobicContact CG2-CG 4.12Å; T53-K67 PolarHBondContact OG1-NZ 2.77Å; I65-K67 HydrophobicContact CG2-CG 4.32Å; K67-N96 VanDerWaalsContact CD-O 3.31Å; K67-N96 WeakPolarHBondContact CD-O 3.3Å; K67-N96 WeakPolarHBondContact CE-O 3.47Å; K67-N96 PolarHBondContact NZ-O 2.91Å
68	D	96.6	Very high	94.1	Very high	38 Å²	38	75.5 Å²	75.5	20%	0.203	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	166.4	178.4	-153.5	4.8	0	0	0	113.2	R29 R52	R29-D68 WeakPolarHBondContact CD-OD1 3.43Å; R29-D68 IonicContact CZ-OD1 2.81Å; R29-D68 IonicContact NE-OD1 3.5Å; R29-D68 IonicContact NH1-OD1 3.85Å; R29-D68 PolarHBondContact NH1-OD1 3.33Å; R29-D68 IonicContact NH1-OD2 3.1Å; R29-D68 PolarHBondContact NH1-OD2 2.86Å; R52-D68 PolarHBondContact N-O 3.27Å; R52-D68 PolarHBondContact O-N 3.48Å
69	C	96.4	Very high	94.1	Very high	33 Å²	33	73.4 Å²	73.4	22%	0.223	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.9	172.7	177.2	0	0	0	0	109.5	C27 L45 C48	C27-C69 HydrophobicContact CB-CB 4.47Å; L45-C69 HydrophobicContact CB-CB 4.14Å; L45-C69 HydrophobicContact CD1-CB 3.59Å; C48-C69 WeakPolarHBondContact CA-SG 3.4Å; C48-C69 HydrophobicContact CB-CB 4.06Å; C48-C69 WeakPolarHBondContact CB-SG 3.45Å; C48-C69 WeakPolarHBondContact SG-CB 3.47Å; C48-C69 CovalentContact SG-SG 2.01Å; C48-C69 PolarHBondContact SG-SG 2.83Å
70	V	96	Very high	94.2	Very high	20 Å²	20	73.4 Å²	73.4	12%	0.121	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.7	-176.9	-62	0	0	0	0	113	F50 R52 S72 C73	F50-V70 HydrophobicContact CB-CG2 4.07Å; F50-V70 PolarHBondContact N-O 3.25Å; F50-V70 VanDerWaalsContact N-O 3.08Å; F50-V70 PolarHBondContact O-N 2.79Å; R52-V70 HydrophobicContact CB-CG1 4.33Å; R52-V70 HydrophobicContact CB-CG2 3.97Å; V70-S72 WeakPolarHBondContact CG2-O 3.18Å; V70-C73 HydrophobicContact CG2-CB 3.75Å
71	A	94.4	Very high	94.5	Very high	78 Å²	78	71.1 Å²	71.1	65%	0.645	41%	0.408	S	S	*	.	S	Bend	trans	-74.7	-32.4	177.3	0	0	0	0	0	112.9	N49	N49-A71 WeakPolarHBondContact CB-O 3.38Å; N49-A71 PolarHBondContact ND2-O 3.09Å
72	S	94.5	Very high	94.7	Very high	87 Å²	87	70.7 Å²	70.7	61%	0.608	40%	0.399	S	S	*	.			trans	-141.5	144.6	176.8	177.2	0	0	0	0	109.1	V70	V70-S72 WeakPolarHBondContact CG2-O 3.18Å
73	C	94.5	Very high	94.8	Very high	21 Å²	21	69.2 Å²	69.2	14%	0.142	40%	0.397	C	S	.	.			trans	-144.4	131.9	-179	-163.8	0	0	0	0	109.8	F50 V70 C89	F50-C73 HydrophobicContact CB-CB 3.74Å; F50-C73 HydrophobicContact CD2-CB 4.44Å; F50-C73 HydrophobicContact CG-CB 4.04Å; V70-C73 HydrophobicContact CG2-CB 3.75Å; C73-C89 HydrophobicContact CB-CB 3.62Å; C73-C89 WeakPolarHBondContact CB-SG 3.18Å; C73-C89 WeakPolarHBondContact SG-CB 3.14Å; C73-C89 CovalentContact SG-SG 2.02Å; C73-C89 PolarHBondContact SG-SG 3.09Å
74	V	94.9	Very high	95	Very high	85 Å²	85	67 Å²	67	52%	0.515	40%	0.396	S	S	.	.			trans	-120.7	116.7	176.2	-176.2	0	0	0	0	107.9	Q76 C89	V74-Q76 HydrophobicContact CB-CG 4.46Å; V74-Q76 HydrophobicContact CG1-CG 3.91Å; V74-Q76 PolarHBondContact O-N 2.87Å; V74-C89 PolarHBondContact N-SG 3.05Å; V74-C89 VanDerWaalsContact N-SG 3.4Å
75	P	95	Very high	95	Very high	87 Å²	87	64.5 Å²	64.5	57%	0.565	39%	0.391	S	S	*	.			trans	-61.2	129	173	-21.2	31.8	0	0	0	110.5	T87 C89	P75-T87 VanDerWaalsContact CA-O 3.28Å; P75-T87 WeakPolarHBondContact CA-O 2.93Å; P75-C89 HydrophobicContact CG-CB 3.94Å; P75-C89 VanDerWaalsContact N-SG 3.44Å
76	Q	95.5	Very high	95	Very high	79 Å²	79	64.7 Å²	64.7	37%	0.369	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	140.8	-176.8	-66.9	-171.2	-22.7	0	0	111.4	V74 R78 V86 T87	V74-Q76 HydrophobicContact CB-CG 4.46Å; V74-Q76 HydrophobicContact CG1-CG 3.91Å; V74-Q76 PolarHBondContact O-N 2.87Å; Q76-R78 VanDerWaalsContact OE1-CZ 3.25Å; Q76-V86 CarbonylContact O-C 3.57Å; Q76-V86 WeakPolarHBondContact O-CA 3.3Å; Q76-T87 PolarHBondContact N-O 2.02Å; Q76-T87 PolarHBondContact O-N 3.01Å
77	D	95.8	Very high	95	Very high	90 Å²	90	64.5 Å²	64.5	48%	0.481	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.1	167.3	-169.6	-18.2	0	0	0	108.5	R79	D77-R79 VanDerWaalsContact OD1-CB 3.3Å; D77-R79 WeakPolarHBondContact OD1-CB 3.03Å; D77-R79 VanDerWaalsContact OD1-CG 3.26Å; D77-R79 WeakPolarHBondContact OD1-CG 3.03Å; D77-R79 IonicContact OD1-CZ 2.66Å; D77-R79 PolarHBondContact OD1-N 3.15Å; D77-R79 IonicContact OD1-NE 3.3Å; D77-R79 PolarHBondContact OD1-NE 2.01Å; D77-R79 IonicContact OD2-CZ 3.99Å; D77-R79 VanDerWaalsContact OD2-CZ 3.3Å; D77-R79 IonicContact OD2-NE 3.04Å; D77-R79 PolarHBondContact OD2-NE 3.07Å; D77-R79 VanDerWaalsContact OD2-NE 3.1Å; D77-R79 IonicContact OD2-NH2 2.87Å; D77-R79 PolarHBondContact OD2-NH2 3.27Å
78	R	95.3	Very high	94.9	Very high	171 Å²	171	67.1 Å²	67.1	65%	0.645	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	29	-179.7	-58.4	-173.8	-176.5	-172.3	-0.2	111	Q76 L85	Q76-R78 VanDerWaalsContact OE1-CZ 3.25Å; R78-L85 WeakPolarHBondContact CA-O 3.22Å; R78-L85 PolarHBondContact N-O 2.83Å
79	R	94.8	Very high	94.8	Very high	107 Å²	107	66.1 Å²	66.1	40%	0.404	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.5	174.4	-68.6	178.8	-68.2	176	1.6	111.1	Y57 D77 A83 V86	Y57-R79 HydrophobicContact CD2-CG 4.45Å; D77-R79 VanDerWaalsContact OD1-CB 3.3Å; D77-R79 WeakPolarHBondContact OD1-CB 3.03Å; D77-R79 VanDerWaalsContact OD1-CG 3.26Å; D77-R79 WeakPolarHBondContact OD1-CG 3.03Å; D77-R79 IonicContact OD1-CZ 2.66Å; D77-R79 PolarHBondContact OD1-N 3.15Å; D77-R79 IonicContact OD1-NE 3.3Å; D77-R79 PolarHBondContact OD1-NE 2.01Å; D77-R79 IonicContact OD2-CZ 3.99Å; D77-R79 VanDerWaalsContact OD2-CZ 3.3Å; D77-R79 IonicContact OD2-NE 3.04Å; D77-R79 PolarHBondContact OD2-NE 3.07Å; D77-R79 VanDerWaalsContact OD2-NE 3.1Å; D77-R79 IonicContact OD2-NH2 2.87Å; D77-R79 PolarHBondContact OD2-NH2 3.27Å; R79-A83 CarbonylContact C-O 3.56Å; R79-A83 WeakPolarHBondContact CA-O 3.31Å; R79-A83 WeakPolarHBondContact CB-O 3.47Å; R79-V86 HydrophobicContact CG-CG2 3.92Å
80	G	91.9	Very high	94.7	Very high	67 Å²	67	65 Å²	65	69%	0.691	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	92.2	164.6	0	0	0	0	0	108.4	A83	G80-A83 PolarHBondContact N-O 2.79Å
81	G	92.1	Very high	94.5	Very high	66 Å²	66	68.5 Å²	68.5	68%	0.68	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-126.3	-169.2	0	0	0	0	0	111.5
82	K	91.8	Very high	94.5	Very high	133 Å²	133	70 Å²	70	58%	0.578	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.3	-177.9	-63.2	-175.6	175	-154.7	0	114.3	D59 E60	D59-K82 CarbonylContact C-O 3.53Å; E60-K82 HydrophobicContact CB-CD 4.11Å; E60-K82 WeakPolarHBondContact OE2-CE 3.25Å; E60-K82 IonicContact OE2-NZ 2.68Å; E60-K82 PolarHBondContact OE2-NZ 3.49Å
83	A	94.6	Very high	94.4	Very high	43 Å²	43	69.1 Å²	69.1	36%	0.355	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.9	-176.4	0	0	0	0	0	111.1	Y57 R58 R79 G80	Y57-A83 WeakPolarHBondContact O-CA 3.33Å; R58-A83 WeakPolarHBondContact O-CB 3.17Å; R79-A83 CarbonylContact C-O 3.56Å; R79-A83 WeakPolarHBondContact CA-O 3.31Å; R79-A83 WeakPolarHBondContact CB-O 3.47Å; G80-A83 PolarHBondContact N-O 2.79Å
84	G	95.9	Very high	94.4	Very high	23 Å²	23	71 Å²	71	24%	0.237	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.8	-156.9	174.4	0	0	0	0	0	113.2	Y57	Y57-G84 PolarHBondContact N-O 3.19Å; Y57-G84 PolarHBondContact O-N 3.19Å
85	L	95.8	Very high	94.4	Very high	72 Å²	72	67.7 Å²	67.7	38%	0.377	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.7	-170.9	-67.6	166.4	0	0	0	111.4	V54 Y55 T56 R78	V54-L85 HydrophobicContact CG1-CD2 3.99Å; Y55-L85 CarbonylContact O-C 3.55Å; Y55-L85 VanDerWaalsContact O-CA 3.32Å; Y55-L85 WeakPolarHBondContact O-CA 2.95Å; T56-L85 HydrophobicContact CG2-CD2 3.87Å; T56-L85 VanDerWaalsContact OG1-CD2 3.25Å; T56-L85 WeakPolarHBondContact OG1-CD2 3.25Å; R78-L85 WeakPolarHBondContact CA-O 3.22Å; R78-L85 PolarHBondContact N-O 2.83Å
86	V	96	Very high	94.4	Very high	17 Å²	17	63.7 Å²	63.7	10%	0.103	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.8	167.9	-175.7	0	0	0	0	108.5	V54 Y55 Y57 Q76 R79	V54-V86 CarbonylContact C-O 3.53Å; V54-V86 WeakPolarHBondContact CA-O 3.41Å; Y55-V86 HydrophobicContact CD2-CB 4.32Å; Y55-V86 PolarHBondContact N-O 2.68Å; Y55-V86 PolarHBondContact O-N 2.99Å; Y57-V86 HydrophobicContact CD2-CG2 3.95Å; Y57-V86 HydrophobicContact CE2-CB 4.06Å; Y57-V86 HydrophobicContact CE2-CG2 3.59Å; Q76-V86 CarbonylContact O-C 3.57Å; Q76-V86 WeakPolarHBondContact O-CA 3.3Å; R79-V86 HydrophobicContact CG-CG2 3.92Å
87	T	96.1	Very high	94.2	Very high	29 Å²	29	61.4 Å²	61.4	18%	0.178	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124	176.7	-59.1	0	0	0	0	109.3	R52 T53 V54 P75 Q76	R52-T87 HydrophobicContact CG-CG2 3.83Å; T53-T87 WeakPolarHBondContact O-CA 3.38Å; V54-T87 HydrophobicContact CG2-CG2 4.44Å; P75-T87 VanDerWaalsContact CA-O 3.28Å; P75-T87 WeakPolarHBondContact CA-O 2.93Å; Q76-T87 PolarHBondContact N-O 2.02Å; Q76-T87 PolarHBondContact O-N 3.01Å
88	E	95.7	Very high	93.2	Very high	63 Å²	63	60.7 Å²	60.7	29%	0.294	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.3	171.5	-63.6	-176.8	169.9	0	0	110.1	R52 T53 Y55	R52-E88 WeakPolarHBondContact CA-O 3.37Å; T53-E88 PolarHBondContact N-O 3.4Å; T53-E88 PolarHBondContact O-N 3.4Å; Y55-E88 HydrophobicContact CE2-CG 4.04Å
89	C	94.6	Very high	91.7	Very high	17 Å²	17	55.3 Å²	55.3	12%	0.115	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.8	-178.1	-54.8	0	0	0	0	110.3	C51 C73 V74 P75	C51-C89 WeakPolarHBondContact O-CA 3.15Å; C73-C89 HydrophobicContact CB-CB 3.62Å; C73-C89 WeakPolarHBondContact CB-SG 3.18Å; C73-C89 WeakPolarHBondContact SG-CB 3.14Å; C73-C89 CovalentContact SG-SG 2.02Å; C73-C89 PolarHBondContact SG-SG 3.09Å; V74-C89 PolarHBondContact N-SG 3.05Å; V74-C89 VanDerWaalsContact N-SG 3.4Å; P75-C89 HydrophobicContact CG-CB 3.94Å; P75-C89 VanDerWaalsContact N-SG 3.44Å
90	C	93.9	Very high	90.1	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.074	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162	170.6	57.3	0	0	0	0	111	F50 C51 C95 K100	F50-C90 CarbonylContact C-O 3.59Å; F50-C90 WeakPolarHBondContact CA-O 3.32Å; C51-C90 PolarHBondContact N-O 2.75Å; C51-C90 PolarHBondContact O-N 3.24Å; C90-C95 HydrophobicContact CB-CB 3.78Å; C90-C95 WeakPolarHBondContact CB-SG 3.26Å; C90-C95 WeakPolarHBondContact SG-CB 3.41Å; C90-C95 CovalentContact SG-SG 2.01Å; C90-C95 PolarHBondContact SG-SG 3.49Å; C90-K100 HydrophobicContact CB-CD 3.96Å
91	D	92.5	Very high	88.2	Confident	92 Å²	92	58.2 Å²	58.2	49%	0.492	33%	0.331	S	S	.	.			trans	-131.9	33.7	-169	62.6	-20.2	0	0	0	112.1	V25 F50	V25-D91 WeakPolarHBondContact CG1-O 3.37Å; F50-D91 HydrophobicContact CD1-CB 3.9Å; F50-D91 HydrophobicContact CE1-CB 4.07Å
92	E	92.6	Very high	86.3	Confident	109 Å²	109	63.6 Å²	63.6	51%	0.509	33%	0.332	S	S	.	.	S	Bend	trans	-120.7	158.3	174.4	-66	165.6	154.6	0	0	109.9	Y94 C95 K100	E92-Y94 PolarHBondContact O-N 3.45Å; E92-C95 HydrophobicContact CB-CB 3.81Å; E92-C95 VanDerWaalsContact O-CB 3.25Å; E92-C95 WeakPolarHBondContact O-CB 3.42Å; E92-C95 PolarHBondContact O-N 2.85Å; E92-C95 PolarHBondContact O-SG 2.83Å; E92-K100 IonicContact OE2-NZ 2.77Å; E92-K100 PolarHBondContact OE2-NZ 2.66Å
93	D	94	Very high	84.1	Confident	69 Å²	69	61 Å²	61	37%	0.369	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	125.9	-179.6	-64.3	-57.6	0	0	0	110.7	K23 V25 K26 C95	K23-D93 IonicContact NZ-OD2 3.64Å; K23-D93 PolarHBondContact NZ-OD2 2.03Å; V25-D93 VanDerWaalsContact CA-OD1 3.28Å; V25-D93 WeakPolarHBondContact CA-OD1 3.45Å; K26-D93 PolarHBondContact N-OD1 2.97Å; K26-D93 CarbonylContact O-C 3.56Å; D93-C95 PolarHBondContact O-N 2.72Å; D93-C95 VanDerWaalsContact O-N 3.09Å
94	Y	94.6	Very high	82.2	Confident	61 Å²	61	64.9 Å²	64.9	24%	0.239	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	21.3	178.6	-53.6	-67.8	0	0	0	114.7	K26 Y28 E44 E92 N96 A97	K26-Y94 HydrophobicContact CB-CD1 4.16Å; K26-Y94 HydrophobicContact CB-CD2 4.44Å; K26-Y94 HydrophobicContact CB-CE1 3.72Å; K26-Y94 HydrophobicContact CB-CE2 4.02Å; K26-Y94 HydrophobicContact CD-CE1 4.35Å; K26-Y94 HydrophobicContact CD-CE2 3.83Å; K26-Y94 WeakPolarHBondContact CD-OH 3.27Å; K26-Y94 PolarHBondContact O-N 3.35Å; Y28-Y94 HydrophobicContact CD1-CD1 4.25Å; Y28-Y94 HydrophobicContact CD2-CD1 4.27Å; Y28-Y94 AromaticContact CE1-CD1 3.79Å; Y28-Y94 HydrophobicContact CE1-CD1 3.79Å; Y28-Y94 HydrophobicContact CE1-CE1 4.16Å; Y28-Y94 AromaticContact CE2-CD1 3.84Å; Y28-Y94 HydrophobicContact CE2-CD1 3.84Å; Y28-Y94 HydrophobicContact CE2-CG 4.1Å; Y28-Y94 HydrophobicContact CG-CD1 4.46Å; Y28-Y94 AromaticContact CZ-CD1 3.56Å; E44-Y94 HydrophobicContact CB-CE1 4.29Å; E44-Y94 HydrophobicContact CG-CE1 3.99Å; E44-Y94 WeakPolarHBondContact OE2-CE1 3.21Å; E44-Y94 PolarHBondContact OE2-OH 3.33Å; E92-Y94 PolarHBondContact O-N 3.45Å; Y94-N96 PolarHBondContact O-N 2.82Å; Y94-A97 WeakPolarHBondContact O-CB 3.17Å; Y94-A97 PolarHBondContact O-N 2.95Å; Y94-A97 VanDerWaalsContact O-N 3.09Å
95	C	93.8	Very high	80.4	Confident	16 Å²	16	66.9 Å²	66.9	11%	0.108	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.8	-173.6	67.4	0	0	0	0	114.3	C51 C90 E92 D93 A97	C51-C95 VanDerWaalsContact SG-SG 3.63Å; C90-C95 HydrophobicContact CB-CB 3.78Å; C90-C95 WeakPolarHBondContact CB-SG 3.26Å; C90-C95 WeakPolarHBondContact SG-CB 3.41Å; C90-C95 CovalentContact SG-SG 2.01Å; C90-C95 PolarHBondContact SG-SG 3.49Å; E92-C95 HydrophobicContact CB-CB 3.81Å; E92-C95 VanDerWaalsContact O-CB 3.25Å; E92-C95 WeakPolarHBondContact O-CB 3.42Å; E92-C95 PolarHBondContact O-N 2.85Å; E92-C95 PolarHBondContact O-SG 2.83Å; D93-C95 PolarHBondContact O-N 2.72Å; D93-C95 VanDerWaalsContact O-N 3.09Å; C95-A97 VanDerWaalsContact C-N 3.31Å
96	N	94.7	Very high	78.6	Confident	2 Å²	2	71 Å²	71	1%	0.011	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	13.5	176.7	67.7	-20.7	0	0	0	113.6	Y28 C51 K67 Y94 S98	Y28-N96 PolarHBondContact N-OD1 2.98Å; Y28-N96 PolarHBondContact O-ND2 2.88Å; C51-N96 HydrophobicContact CB-CB 3.78Å; K67-N96 VanDerWaalsContact CD-O 3.31Å; K67-N96 WeakPolarHBondContact CD-O 3.3Å; K67-N96 WeakPolarHBondContact CE-O 3.47Å; K67-N96 PolarHBondContact NZ-O 2.91Å; Y94-N96 PolarHBondContact O-N 2.82Å; N96-S98 VanDerWaalsContact C-N 3.33Å; N96-S98 PolarHBondContact O-N 3.08Å
97	A	92.1	Very high	76.8	Confident	31 Å²	31	76.5 Å²	76.5	26%	0.256	40%	0.397	S	S	.	.	S	Bend	trans	-60.5	-40.5	174.6	0	0	0	0	0	113	Y28 F37 Y94 C95	Y28-A97 HydrophobicContact CD2-CB 4.1Å; Y28-A97 HydrophobicContact CE2-CB 3.78Å; F37-A97 WeakPolarHBondContact CB-O 3.5Å; F37-A97 HydrophobicContact CD1-CB 4.2Å; F37-A97 VanDerWaalsContact CD1-O 3.29Å; F37-A97 WeakPolarHBondContact CD1-O 3.45Å; F37-A97 HydrophobicContact CE1-CB 3.88Å; F37-A97 WeakPolarHBondContact CG-O 3.45Å; Y94-A97 WeakPolarHBondContact O-CB 3.17Å; Y94-A97 PolarHBondContact O-N 2.95Å; Y94-A97 VanDerWaalsContact O-N 3.09Å; C95-A97 VanDerWaalsContact C-N 3.31Å
98	S	74.4	Confident	75.1	Confident	75 Å²	75	79.5 Å²	79.5	52%	0.524	41%	0.412	S	S	.	.	S	Bend	trans	-138.7	150	-174.6	-169.1	0	0	0	0	109.7	N96 K100	N96-S98 VanDerWaalsContact C-N 3.33Å; N96-S98 PolarHBondContact O-N 3.08Å; S98-K100 PolarHBondContact O-N 2.75Å; S98-K100 VanDerWaalsContact O-N 3.15Å
99	P	64.6	Low	73.5	Confident	59 Å²	59	81.5 Å²	81.5	38%	0.383	42%	0.424	S	S	.	.			trans	-49.7	123.3	167.9	17.6	-29.9	0	0	0	109.7	H101	P99-H101 PolarHBondContact O-N 3.04Å
100	K	60.1	Low	72	Confident	62 Å²	62	83.6 Å²	83.6	27%	0.27	44%	0.436	S	S	.	.			trans	-70.1	98.9	179.4	-76.5	-165	170.9	-161.5	0	108.2	C90 E92 S98 Y102	C90-K100 HydrophobicContact CB-CD 3.96Å; E92-K100 IonicContact OE2-NZ 2.77Å; E92-K100 PolarHBondContact OE2-NZ 2.66Å; S98-K100 PolarHBondContact O-N 2.75Å; S98-K100 VanDerWaalsContact O-N 3.15Å; K100-Y102 VanDerWaalsContact C-N 3.26Å; K100-Y102 HydrophobicContact CB-CE2 4.34Å; K100-Y102 PolarHBondContact O-N 3.1Å
101	H	51.6	Low	70.7	Confident	172 Å²	172	86.6 Å²	86.6	80%	0.796	46%	0.457	S	S	*	.			trans	-66.5	95.6	154	-70.3	-86.4	0	0	0	106.5	P99 S103	P99-H101 PolarHBondContact O-N 3.04Å; H101-S103 VanDerWaalsContact C-N 3.33Å; H101-S103 PolarHBondContact O-N 2.76Å
102	Y	52.5	Low	69.5	Low	180 Å²	180	88.6 Å²	88.6	71%	0.706	46%	0.462	S	S	*	.			trans	-55.8	105	165.2	-71.9	-83.2	0	0	0	106.9	K100 I104	K100-Y102 VanDerWaalsContact C-N 3.26Å; K100-Y102 HydrophobicContact CB-CE2 4.34Å; K100-Y102 PolarHBondContact O-N 3.1Å; Y102-I104 PolarHBondContact O-N 2.79Å; Y102-I104 VanDerWaalsContact O-N 3.09Å
103	S	46.7	Very low	68.2	Low	77 Å²	77	87 Å²	87	54%	0.538	46%	0.46	S	S	.	.			trans	-64.4	116.3	178.6	-174.3	0	0	0	0	107.2	H101 S105 F106	H101-S103 VanDerWaalsContact C-N 3.33Å; H101-S103 PolarHBondContact O-N 2.76Å; S103-S105 PolarHBondContact O-N 2.92Å; S103-S105 WeakPolarHBondContact OG-CB 3.36Å; S103-S105 PolarHBondContact OG-OG 2.85Å; S103-F106 PolarHBondContact O-N 2.99Å
104	I	54.4	Low	66.9	Low	126 Å²	126	88.3 Å²	88.3	65%	0.646	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.9	-27.2	173.8	-69.9	163.2	0	0	0	111.5	Y102 F106 L107 L108	Y102-I104 PolarHBondContact O-N 2.79Å; Y102-I104 VanDerWaalsContact O-N 3.09Å; I104-F106 VanDerWaalsContact C-N 3.26Å; I104-F106 PolarHBondContact O-N 3Å; I104-L107 PolarHBondContact O-N 2.78Å; I104-L108 HydrophobicContact CG2-CD1 4.02Å; I104-L108 HydrophobicContact CG2-CG 4.23Å; I104-L108 PolarHBondContact O-N 3.44Å
105	S	57.1	Low	65.7	Low	64 Å²	64	92 Å²	92	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-47.3	-40.7	173	-46.7	0	0	0	0	114.3	S103 L107 L108 I109	S103-S105 PolarHBondContact O-N 2.92Å; S103-S105 WeakPolarHBondContact OG-CB 3.36Å; S103-S105 PolarHBondContact OG-OG 2.85Å; S105-L107 PolarHBondContact O-N 3.32Å; S105-L108 PolarHBondContact O-N 2.77Å; S105-I109 WeakPolarHBondContact O-CD1 3.29Å; S105-I109 VanDerWaalsContact O-CG1 3.28Å; S105-I109 WeakPolarHBondContact O-CG1 3.21Å; S105-I109 PolarHBondContact O-N 2.95Å; S105-I109 VanDerWaalsContact O-N 3.17Å
106	F	58.8	Low	64.5	Low	160 Å²	160	95.5 Å²	95.5	70%	0.702	50%	0.5	S	S	*	.	H	α-helix	trans	-70.6	-34.7	-175.5	-153.8	-90	0	0	0	112.5	S103 I104	S103-F106 PolarHBondContact O-N 2.99Å; I104-F106 VanDerWaalsContact C-N 3.26Å; I104-F106 PolarHBondContact O-N 3Å
107	L	57.9	Low	63.1	Low	131 Å²	131	99.8 Å²	99.8	69%	0.686	53%	0.526	S	S	*	.	H	α-helix	trans	-72.1	-32.8	175.8	-70.3	172.4	0	0	0	112.2	I104 S105 T110 S111	I104-L107 PolarHBondContact O-N 2.78Å; S105-L107 PolarHBondContact O-N 3.32Å; L107-T110 PolarHBondContact O-OG1 2.65Å; L107-S111 PolarHBondContact O-N 2.95Å
108	L	60.5	Low	61.9	Low	92 Å²	92	105.5 Å²	105.5	48%	0.482	54%	0.542	S	S	.	.	H	α-helix	trans	-68.9	-42	177.3	-66.9	175.7	0	0	0	111.4	I104 S105 T110 S111 F112	I104-L108 HydrophobicContact CG2-CD1 4.02Å; I104-L108 HydrophobicContact CG2-CG 4.23Å; I104-L108 PolarHBondContact O-N 3.44Å; S105-L108 PolarHBondContact O-N 2.77Å; L108-T110 VanDerWaalsContact C-N 3.32Å; L108-T110 PolarHBondContact O-N 2.84Å; L108-S111 PolarHBondContact O-N 3.35Å; L108-F112 VanDerWaalsContact O-CD2 3.28Å; L108-F112 WeakPolarHBondContact O-CD2 3.34Å; L108-F112 PolarHBondContact O-N 3.44Å
109	I	62.8	Low	61.5	Low	106 Å²	106	104.4 Å²	104.4	54%	0.544	53%	0.532	S	S	.	.	H	α-helix	trans	-62.3	-38.9	-178.6	-65.5	162.8	0	0	0	111.6	S105 T113	S105-I109 WeakPolarHBondContact O-CD1 3.29Å; S105-I109 VanDerWaalsContact O-CG1 3.28Å; S105-I109 WeakPolarHBondContact O-CG1 3.21Å; S105-I109 PolarHBondContact O-N 2.95Å; S105-I109 VanDerWaalsContact O-N 3.17Å; I109-T113 WeakPolarHBondContact O-CG2 2.96Å; I109-T113 PolarHBondContact O-N 2.85Å; I109-T113 PolarHBondContact O-OG1 2.98Å
110	T	63.4	Low	61.3	Low	61 Å²	61	105.6 Å²	105.6	37%	0.374	54%	0.535	S	S	.	.	H	α-helix	trans	-71.2	-34.9	177.3	57.5	0	0	0	0	112.3	L107 L108 T113 I114	L107-T110 PolarHBondContact O-OG1 2.65Å; L108-T110 VanDerWaalsContact C-N 3.32Å; L108-T110 PolarHBondContact O-N 2.84Å; T110-T113 WeakPolarHBondContact CA-OG1 3.38Å; T110-T113 PolarHBondContact O-OG1 2.01Å; T110-I114 WeakPolarHBondContact O-CD1 3.32Å; T110-I114 VanDerWaalsContact O-CG1 3.27Å; T110-I114 WeakPolarHBondContact O-CG1 3.42Å; T110-I114 PolarHBondContact O-N 3.37Å
111	S	65.6	Low	61.2	Low	74 Å²	74	109 Å²	109	52%	0.517	55%	0.55	S	S	.	*	H	α-helix	trans	-65.2	-45.4	174.6	-174.7	0	0	0	0	112.5	L107 L108 T113 I114 F115	L107-S111 PolarHBondContact O-N 2.95Å; L108-S111 PolarHBondContact O-N 3.35Å; S111-T113 PolarHBondContact O-N 2.82Å; S111-I114 PolarHBondContact O-N 2.83Å; S111-F115 PolarHBondContact O-N 2.83Å
112	F	66.5	Low	61.6	Low	134 Å²	134	109.3 Å²	109.3	59%	0.588	55%	0.55	S	S	*	.	H	α-helix	trans	-64.3	-39.9	178.9	-85	-74.9	0	0	0	112.6	L108 I114 F115 I116	L108-F112 VanDerWaalsContact O-CD2 3.28Å; L108-F112 WeakPolarHBondContact O-CD2 3.34Å; L108-F112 PolarHBondContact O-N 3.44Å; F112-I114 PolarHBondContact O-N 2.76Å; F112-F115 PolarHBondContact O-N 2.84Å; F112-I116 WeakPolarHBondContact O-CB 3.42Å; F112-I116 VanDerWaalsContact O-CG1 3.26Å; F112-I116 WeakPolarHBondContact O-CG1 3.41Å; F112-I116 PolarHBondContact O-N 2.91Å
113	T	65.5	Low	61.8	Low	76 Å²	76	106.8 Å²	106.8	47%	0.466	55%	0.547	S	S	.	.	H	α-helix	trans	-66.4	-36.7	178	46.3	0	0	0	0	112.5	I109 T110 S111 T117	I109-T113 WeakPolarHBondContact O-CG2 2.96Å; I109-T113 PolarHBondContact O-N 2.85Å; I109-T113 PolarHBondContact O-OG1 2.98Å; T110-T113 WeakPolarHBondContact CA-OG1 3.38Å; T110-T113 PolarHBondContact O-OG1 2.01Å; S111-T113 PolarHBondContact O-N 2.82Å; T113-T117 WeakPolarHBondContact O-CG2 3.04Å; T113-T117 PolarHBondContact O-N 3.27Å; T113-T117 VanDerWaalsContact O-N 3.07Å; T113-T117 PolarHBondContact O-OG1 2.78Å
114	I	67.1	Low	61.8	Low	96 Å²	96	115.4 Å²	115.4	49%	0.492	57%	0.569	S	S	.	*	H	α-helix	trans	-64.2	-47.1	171.1	-66.1	168.2	0	0	0	109.9	T110 S111 F112 I116 T117 Y118	T110-I114 WeakPolarHBondContact O-CD1 3.32Å; T110-I114 VanDerWaalsContact O-CG1 3.27Å; T110-I114 WeakPolarHBondContact O-CG1 3.42Å; T110-I114 PolarHBondContact O-N 3.37Å; S111-I114 PolarHBondContact O-N 2.83Å; F112-I114 PolarHBondContact O-N 2.76Å; I114-I116 PolarHBondContact O-N 3.14Å; I114-T117 WeakPolarHBondContact CA-OG1 3.22Å; I114-T117 PolarHBondContact O-N 3.15Å; I114-T117 PolarHBondContact O-OG1 2.91Å; I114-Y118 HydrophobicContact CG2-CD2 3.59Å; I114-Y118 HydrophobicContact CG2-CE2 3.65Å; I114-Y118 VanDerWaalsContact O-CD2 3.31Å; I114-Y118 WeakPolarHBondContact O-CD2 3.29Å; I114-Y118 PolarHBondContact O-N 2.82Å
115	F	69.7	Low	62.2	Low	138 Å²	138	114.9 Å²	114.9	61%	0.605	57%	0.565	S	S	*	*	H	α-helix	trans	-61.7	-42	179.9	-168.2	-97.2	0	0	0	113	S111 F112 T117 Y118 T119	S111-F115 PolarHBondContact O-N 2.83Å; F112-F115 PolarHBondContact O-N 2.84Å; F115-T117 PolarHBondContact O-N 2.8Å; F115-Y118 PolarHBondContact O-N 3.06Å; F115-T119 HydrophobicContact CD1-CG2 3.96Å; F115-T119 HydrophobicContact CE1-CG2 3.58Å; F115-T119 HydrophobicContact CE2-CG2 4.44Å; F115-T119 HydrophobicContact CZ-CG2 3.85Å; F115-T119 WeakPolarHBondContact O-CB 3.24Å; F115-T119 WeakPolarHBondContact O-CG2 3.23Å; F115-T119 PolarHBondContact O-N 2.73Å; F115-T119 PolarHBondContact O-OG1 3Å
116	I	68.9	Low	62.4	Low	90 Å²	90	117.5 Å²	117.5	46%	0.462	57%	0.572	S	S	.	*	H	α-helix	trans	-65.2	-39.3	177.4	-67.5	167.1	0	0	0	111.1	F112 I114 T119 N120	F112-I116 WeakPolarHBondContact O-CB 3.42Å; F112-I116 VanDerWaalsContact O-CG1 3.26Å; F112-I116 WeakPolarHBondContact O-CG1 3.41Å; F112-I116 PolarHBondContact O-N 2.91Å; I114-I116 PolarHBondContact O-N 3.14Å; I116-T119 WeakPolarHBondContact CA-OG1 3.5Å; I116-T119 PolarHBondContact O-OG1 2.99Å; I116-T119 VanDerWaalsContact O-OG1 3.09Å; I116-N120 VanDerWaalsContact CG2-ND2 3.3Å; I116-N120 WeakPolarHBondContact CG2-ND2 3.22Å; I116-N120 WeakPolarHBondContact O-CB 3.46Å; I116-N120 PolarHBondContact O-N 2.81Å; I116-N120 PolarHBondContact O-ND2 3.38Å
117	T	65.3	Low	62.6	Low	91 Å²	91	115.2 Å²	115.2	56%	0.558	56%	0.564	S	S	*	*	H	α-helix	trans	-70.8	-36.6	178.1	46.4	0	0	0	0	112.5	T113 I114 F115 K121	T113-T117 WeakPolarHBondContact O-CG2 3.04Å; T113-T117 PolarHBondContact O-N 3.27Å; T113-T117 VanDerWaalsContact O-N 3.07Å; T113-T117 PolarHBondContact O-OG1 2.78Å; I114-T117 WeakPolarHBondContact CA-OG1 3.22Å; I114-T117 PolarHBondContact O-N 3.15Å; I114-T117 PolarHBondContact O-OG1 2.91Å; F115-T117 PolarHBondContact O-N 2.8Å; T117-K121 PolarHBondContact O-N 3.5Å
118	Y	66.5	Low	62.9	Low	152 Å²	152	114.2 Å²	114.2	60%	0.596	56%	0.557	S	S	*	*	H	α-helix	trans	-67.2	-45.7	173.2	-89.4	-86.1	0	0	0	112.2	I114 F115 K121 F122	I114-Y118 HydrophobicContact CG2-CD2 3.59Å; I114-Y118 HydrophobicContact CG2-CE2 3.65Å; I114-Y118 VanDerWaalsContact O-CD2 3.31Å; I114-Y118 WeakPolarHBondContact O-CD2 3.29Å; I114-Y118 PolarHBondContact O-N 2.82Å; F115-Y118 PolarHBondContact O-N 3.06Å; Y118-K121 WeakPolarHBondContact O-CB 3.1Å; Y118-K121 PolarHBondContact O-N 2.83Å; Y118-F122 WeakPolarHBondContact O-CD2 3.25Å
119	T	65.7	Low	63.1	Low	51 Å²	51	115.6 Å²	115.6	31%	0.313	56%	0.562	S	S	.	*	H	α-helix	trans	-65.4	-40.1	-179.7	47.8	0	0	0	0	112.6	F115 I116 K121 F122	F115-T119 HydrophobicContact CD1-CG2 3.96Å; F115-T119 HydrophobicContact CE1-CG2 3.58Å; F115-T119 HydrophobicContact CE2-CG2 4.44Å; F115-T119 HydrophobicContact CZ-CG2 3.85Å; F115-T119 WeakPolarHBondContact O-CB 3.24Å; F115-T119 WeakPolarHBondContact O-CG2 3.23Å; F115-T119 PolarHBondContact O-N 2.73Å; F115-T119 PolarHBondContact O-OG1 3Å; I116-T119 WeakPolarHBondContact CA-OG1 3.5Å; I116-T119 PolarHBondContact O-OG1 2.99Å; I116-T119 VanDerWaalsContact O-OG1 3.09Å; T119-K121 PolarHBondContact O-N 2.01Å; T119-F122 PolarHBondContact O-N 3.23Å; T119-F122 VanDerWaalsContact O-N 3.14Å
120	N	60	Low	63.1	Low	85 Å²	85	116.3 Å²	116.3	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-66.7	-22	175.7	-78.2	-60.6	0	0	0	113.6	I116 F122	I116-N120 VanDerWaalsContact CG2-ND2 3.3Å; I116-N120 WeakPolarHBondContact CG2-ND2 3.22Å; I116-N120 WeakPolarHBondContact O-CB 3.46Å; I116-N120 PolarHBondContact O-N 2.81Å; I116-N120 PolarHBondContact O-ND2 3.38Å; N120-F122 VanDerWaalsContact C-N 3.3Å
121	K	59.5	Low	63.1	Low	133 Å²	133	120.2 Å²	120.2	58%	0.578	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-14.9	175.2	-172	171	178	-172.7	0	113.3	L4 T117 Y118 T119	L4-K121 HydrophobicContact CD2-CB 3.83Å; L4-K121 HydrophobicContact CD2-CD 4.06Å; L4-K121 HydrophobicContact CD2-CG 3.73Å; T117-K121 PolarHBondContact O-N 3.5Å; Y118-K121 WeakPolarHBondContact O-CB 3.1Å; Y118-K121 PolarHBondContact O-N 2.83Å; T119-K121 PolarHBondContact O-N 2.01Å
122	F	59.7	Low	62.9	Low	179 Å²	179	123.8 Å²	123.8	79%	0.785	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-2.2	177.9	-80.9	-81.9	0	0	0	114	Y118 T119 N120	Y118-F122 WeakPolarHBondContact O-CD2 3.25Å; T119-F122 PolarHBondContact O-N 3.23Å; T119-F122 VanDerWaalsContact O-N 3.14Å; N120-F122 VanDerWaalsContact C-N 3.3Å
123	I	56.9	Low	62.6	Low	127 Å²	127	122.9 Å²	122.9	65%	0.651	58%	0.581	S	S	*	*			trans	-103.9	-1.5	-176.3	-64.2	172	0	0	0	112.7
124	Y	46	Very low	62.3	Low	257 Å²	257	127.2 Å²	127.2	100%	1.008	59%	0.591	S	S	*	*			trans	-135.8	0	173.7	-81.6	-78.5	0	0	0	112

Retrieved 124 of 124 residues in 34.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).