A0A068LN11_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LN11, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 121 aa.

						>A0A068LN11_HUMAN|A0A068LN11
QVQVVESGGGVVQPGRSLRLSCVASGFTFSSYAIHWVRQAPGKGLEWVAVTSYDGTNQWYADSVKGRFTISRDNSKNTLYLQMNSLRPEDTAVYYCARGRLPYYYYGMDVWGQGTTVTVSS
					

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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	Q	79.6	Confident	95.3	Very high	209 Å²	209	65.4 Å²	65.4	98%	0.977	40%	0.398	S	S	*	.				0	143	0	-171	166.7	15	0	0	108.6
2	V	91.7	Very high	95.4	Very high	64 Å²	64	62 Å²	62	39%	0.388	38%	0.378	S	S	.	.			trans	-92	126.8	179.6	175.1	0	0	0	0	108.7	S25 F27 V110	V2-S25 WeakPolarHBondContact CA-O 3.28Å; V2-F27 HydrophobicContact CG1-CD1 3.74Å; V2-F27 HydrophobicContact CG1-CE1 4.23Å; V2-V110 HydrophobicContact CG1-CG1 4.17Å; V2-V110 HydrophobicContact CG1-CG2 3.56Å
3	Q	94.8	Very high	95.6	Very high	90 Å²	90	65.2 Å²	65.2	42%	0.421	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	162.4	178.5	61.5	-176	-16.2	0	0	111.8	V5 S25	Q3-V5 HydrophobicContact CG-CG2 4.5Å; Q3-S25 WeakPolarHBondContact CG-OG 3.4Å; Q3-S25 PolarHBondContact N-O 3.05Å; Q3-S25 PolarHBondContact NE2-OG 3.24Å; Q3-S25 PolarHBondContact O-N 3.43Å
4	V	96.3	Very high	95.8	Very high	6 Å²	6	65.1 Å²	65.1	4%	0.036	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.8	166.4	-62.9	0	0	0	0	109	V23 A24 F27 C96 V110 G112	V4-V23 CarbonylContact C-O 3.56Å; V4-V23 WeakPolarHBondContact CA-O 3.22Å; V4-A24 HydrophobicContact CG1-CB 4.18Å; V4-F27 HydrophobicContact CG1-CE1 3.86Å; V4-F27 HydrophobicContact CG1-CZ 3.79Å; V4-C96 HydrophobicContact CG2-CB 4.14Å; V4-C96 WeakPolarHBondContact CG2-O 3.33Å; V4-V110 HydrophobicContact CG1-CG1 4.31Å; V4-V110 HydrophobicContact CG2-CG1 4.34Å; V4-G112 VanDerWaalsContact O-CA 3.29Å; V4-G112 WeakPolarHBondContact O-CA 3.36Å
5	V	97.6	Very high	95.9	Very high	75 Å²	75	64 Å²	64	46%	0.455	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	120	-174.5	-177.8	0	0	0	0	110	Q3 C22 V23	Q3-V5 HydrophobicContact CG-CG2 4.5Å; V5-C22 CarbonylContact O-C 3.48Å; V5-C22 WeakPolarHBondContact O-CA 3.47Å; V5-V23 PolarHBondContact N-O 2.92Å; V5-V23 PolarHBondContact O-N 2.99Å
6	E	98.5	Very high	96.1	Very high	20 Å²	20	69.8 Å²	69.8	9%	0.093	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	147.9	178.8	-54.4	90	158.6	0	0	113.2	S21 W36 Y95 C96 G112 Q113 G114 T115	E6-S21 CarbonylContact C-O 3.55Å; E6-S21 VanDerWaalsContact CA-O 3.23Å; E6-S21 WeakPolarHBondContact CA-O 3.46Å; E6-W36 HydrophobicContact CB-CH2 4.22Å; E6-W36 HydrophobicContact CB-CZ3 4.49Å; E6-W36 HydrophobicContact CG-CH2 3.83Å; E6-W36 HydrophobicContact CG-CZ3 3.86Å; E6-Y95 WeakPolarHBondContact OE1-CA 3.32Å; E6-C96 HydrophobicContact CG-CB 3.77Å; E6-C96 WeakPolarHBondContact OE1-CB 3.44Å; E6-C96 PolarHBondContact OE1-N 3.32Å; E6-G112 WeakPolarHBondContact OE1-CA 3.4Å; E6-G112 WeakPolarHBondContact OE2-CA 3.3Å; E6-Q113 PolarHBondContact OE2-N 3.28Å; E6-G114 PolarHBondContact OE2-N 3.13Å; E6-T115 HydrophobicContact CB-CG2 3.84Å
7	S	98.3	Very high	96.2	Very high	56 Å²	56	69.2 Å²	69.2	39%	0.392	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	170.6	171.2	60.8	0	0	0	0	111.5	L20 S21	S7-L20 WeakPolarHBondContact O-CA 3.39Å; S7-S21 PolarHBondContact N-O 3.25Å; S7-S21 PolarHBondContact O-N 2.94Å; S7-S21 PolarHBondContact OG-OG 3.06Å
8	G	97.6	Very high	96.3	Very high	37 Å²	37	67.1 Å²	67.1	38%	0.381	40%	0.395	S	S	.	.			trans	92.7	4.4	177	0	0	0	0	0	114.9	L20	G8-L20 VanDerWaalsContact C-CD2 3.43Å; G8-L20 WeakPolarHBondContact O-CD2 3.33Å
9	G	97.8	Very high	96.4	Very high	30 Å²	30	70.2 Å²	70.2	31%	0.309	40%	0.399	S	S	.	.			trans	-69.2	170.6	166.8	0	0	0	0	0	112.6	T115 T116	G9-T115 VanDerWaalsContact CA-OG1 3.28Å; G9-T115 WeakPolarHBondContact CA-OG1 3.15Å; G9-T115 PolarHBondContact N-OG1 2.9Å; G9-T116 CarbonylContact C-O 3.53Å; G9-T116 VanDerWaalsContact CA-O 3.22Å; G9-T116 WeakPolarHBondContact CA-O 3.39Å
10	G	97.6	Very high	96.5	Very high	30 Å²	30	66.7 Å²	66.7	31%	0.309	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	160	-174.9	-176.8	0	0	0	0	0	112.6	T116 T118	G10-T116 PolarHBondContact N-O 2.92Å; G10-T118 PolarHBondContact O-N 2.55Å
11	V	98.1	Very high	96.6	Very high	102 Å²	102	64.5 Å²	64.5	62%	0.618	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.2	176.7	-172.7	0	0	0	0	109.3	T118 S120	V11-T118 CarbonylContact C-O 3.53Å; V11-T118 WeakPolarHBondContact CA-O 3.27Å; V11-T118 HydrophobicContact CG1-CG2 4.42Å; V11-S120 WeakPolarHBondContact CG1-OG 3.34Å
12	V	97.4	Very high	97.5	Very high	25 Å²	25	54.5 Å²	54.5	15%	0.152	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154	175.9	-69.2	0	0	0	0	112	R16 L18 L86 T118 V119 S120	V12-R16 HydrophobicContact CB-CB 4.31Å; V12-L18 HydrophobicContact CB-CD1 4.45Å; V12-L18 HydrophobicContact CB-CG 4.48Å; V12-L18 HydrophobicContact CG1-CD1 3.8Å; V12-L18 HydrophobicContact CG1-CD2 3.58Å; V12-L18 HydrophobicContact CG1-CG 3.6Å; V12-L18 HydrophobicContact CG2-CD1 3.79Å; V12-L18 HydrophobicContact CG2-CG 4.08Å; V12-L86 HydrophobicContact CG2-CD1 3.64Å; V12-T118 PolarHBondContact N-O 2.99Å; V12-V119 HydrophobicContact CG2-CG2 4.24Å; V12-V119 CarbonylContact O-C 3.6Å; V12-V119 VanDerWaalsContact O-CA 3.27Å; V12-V119 WeakPolarHBondContact O-CA 3.33Å; V12-S120 PolarHBondContact O-N 3.3Å
13	Q	97.9	Very high	97.7	Very high	104 Å²	104	54.5 Å²	54.5	49%	0.486	32%	0.321	S	S	.	.			trans	-72.7	152.3	173	-69.8	176.8	-4.7	0	0	111.7	R16 S120	Q13-R16 HydrophobicContact CB-CG 4.11Å; Q13-R16 VanDerWaalsContact O-CB 3.29Å; Q13-R16 WeakPolarHBondContact O-CB 3.4Å; Q13-R16 WeakPolarHBondContact O-CG 3.46Å; Q13-R16 PolarHBondContact O-N 3.06Å; Q13-S120 WeakPolarHBondContact CA-O 3.21Å
14	P	98.3	Very high	97.7	Very high	63 Å²	63	50.4 Å²	50.4	41%	0.409	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	142.2	171.9	-25.6	33.6	0	0	0	112.7	R16 P88 V119	P14-R16 PolarHBondContact O-N 3.03Å; P14-P88 HydrophobicContact CG-CG 4.4Å; P14-V119 HydrophobicContact CB-CG1 4.32Å; P14-V119 HydrophobicContact CG-CG1 4.06Å
15	G	97.6	Very high	97.6	Very high	49 Å²	49	52.2 Å²	52.2	51%	0.505	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-12	-178.1	0	0	0	0	0	115	L86	G15-L86 PolarHBondContact N-O 2.9Å
16	R	98.1	Very high	97.3	Very high	157 Å²	157	51.4 Å²	51.4	59%	0.592	32%	0.322	S	S	*	.			trans	-77.4	172.3	174.6	-59.8	-61.6	-175.9	159.1	-0.5	111.6	V12 Q13 P14 L86	V12-R16 HydrophobicContact CB-CB 4.31Å; Q13-R16 HydrophobicContact CB-CG 4.11Å; Q13-R16 VanDerWaalsContact O-CB 3.29Å; Q13-R16 WeakPolarHBondContact O-CB 3.4Å; Q13-R16 WeakPolarHBondContact O-CG 3.46Å; Q13-R16 PolarHBondContact O-N 3.06Å; P14-R16 PolarHBondContact O-N 3.03Å; R16-L86 WeakPolarHBondContact O-CB 3.43Å; R16-L86 PolarHBondContact O-N 3.13Å
17	S	98.1	Very high	96.9	Very high	59 Å²	59	51.7 Å²	51.7	41%	0.413	32%	0.323	S	S	.	.			trans	-116.5	150.4	179.5	-57.1	0	0	0	0	111.7	M83 N84	S17-M83 CarbonylContact C-O 3.45Å; S17-M83 WeakPolarHBondContact CA-O 3.23Å; S17-M83 VanDerWaalsContact CB-O 3.29Å; S17-M83 WeakPolarHBondContact CB-O 3.25Å; S17-N84 WeakPolarHBondContact OG-CA 3.44Å; S17-N84 PolarHBondContact OG-OD1 3.23Å
18	L	97.7	Very high	96.3	Very high	32 Å²	32	52.8 Å²	52.8	17%	0.168	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	163.6	167.2	-77.6	174.8	0	0	0	109.8	V12 M83 L86 V117	V12-L18 HydrophobicContact CB-CD1 4.45Å; V12-L18 HydrophobicContact CB-CG 4.48Å; V12-L18 HydrophobicContact CG1-CD1 3.8Å; V12-L18 HydrophobicContact CG1-CD2 3.58Å; V12-L18 HydrophobicContact CG1-CG 3.6Å; V12-L18 HydrophobicContact CG2-CD1 3.79Å; V12-L18 HydrophobicContact CG2-CG 4.08Å; L18-M83 PolarHBondContact N-O 2.98Å; L18-M83 PolarHBondContact O-N 2.83Å; L18-L86 HydrophobicContact CB-CD1 4.01Å; L18-L86 HydrophobicContact CD1-CD1 4.06Å; L18-L86 HydrophobicContact CG-CD1 4.01Å; L18-V117 HydrophobicContact CD1-CG1 3.9Å; L18-V117 HydrophobicContact CD1-CG2 4.31Å
19	R	98.5	Very high	95.7	Very high	126 Å²	126	51 Å²	51	48%	0.475	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	114	170.8	-173.3	175.7	174.6	175.1	-0	109.2	Y80 L81	R19-Y80 VanDerWaalsContact NH2-CD2 3.26Å; R19-L81 WeakPolarHBondContact CA-O 3.26Å
20	L	98.8	Very high	95.2	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	150.9	170.9	-51.3	-175.4	0	0	0	109.8	S7 G8 W36 Y80 L81 M83 Y94 T115 V117	S7-L20 WeakPolarHBondContact O-CA 3.39Å; G8-L20 VanDerWaalsContact C-CD2 3.43Å; G8-L20 WeakPolarHBondContact O-CD2 3.33Å; L20-W36 HydrophobicContact CB-CH2 3.7Å; L20-W36 HydrophobicContact CB-CZ2 3.83Å; L20-W36 HydrophobicContact CB-CZ3 4.38Å; L20-W36 HydrophobicContact CD1-CE3 4.4Å; L20-W36 HydrophobicContact CD1-CH2 4.15Å; L20-W36 HydrophobicContact CD1-CZ3 3.97Å; L20-Y80 VanDerWaalsContact O-CA 3.25Å; L20-Y80 WeakPolarHBondContact O-CA 3.4Å; L20-L81 HydrophobicContact CB-CB 4.29Å; L20-L81 HydrophobicContact CD1-CD2 4.46Å; L20-L81 PolarHBondContact N-O 3.21Å; L20-L81 PolarHBondContact O-N 2.94Å; L20-M83 HydrophobicContact CD1-SD 3.57Å; L20-M83 VanDerWaalsContact CD1-SD 3.57Å; L20-M83 HydrophobicContact CD2-SD 4.33Å; L20-M83 HydrophobicContact CG-SD 3.59Å; L20-M83 VanDerWaalsContact CG-SD 3.59Å; L20-Y94 HydrophobicContact CD1-CD1 3.9Å; L20-Y94 HydrophobicContact CD1-CD2 4.37Å; L20-Y94 HydrophobicContact CD1-CG 3.7Å; L20-T115 HydrophobicContact CD1-CG2 4.05Å; L20-T115 HydrophobicContact CD2-CG2 3.94Å; L20-T115 HydrophobicContact CG-CG2 4.48Å; L20-V117 HydrophobicContact CD1-CG2 4.26Å; L20-V117 HydrophobicContact CD2-CG2 3.87Å
21	S	98.4	Very high	94.7	Very high	20 Å²	20	53.3 Å²	53.3	14%	0.14	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.3	168.1	53.6	0	0	0	0	110.8	E6 S7 L79	E6-S21 CarbonylContact C-O 3.55Å; E6-S21 VanDerWaalsContact CA-O 3.23Å; E6-S21 WeakPolarHBondContact CA-O 3.46Å; S7-S21 PolarHBondContact N-O 3.25Å; S7-S21 PolarHBondContact O-N 2.94Å; S7-S21 PolarHBondContact OG-OG 3.06Å; S21-L79 CarbonylContact C-O 3.5Å; S21-L79 VanDerWaalsContact CA-O 3.23Å; S21-L79 WeakPolarHBondContact CA-O 3.33Å
22	C	97.7	Very high	94.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	113	173.6	161.4	0	0	0	0	108.8	V5 W36 T78 L79 C96	V5-C22 CarbonylContact O-C 3.48Å; V5-C22 WeakPolarHBondContact O-CA 3.47Å; C22-W36 HydrophobicContact CB-CH2 4.01Å; C22-W36 HydrophobicContact CB-CZ2 3.72Å; C22-T78 CarbonylContact O-C 3.51Å; C22-T78 VanDerWaalsContact O-CA 3.31Å; C22-T78 WeakPolarHBondContact O-CA 3.44Å; C22-L79 HydrophobicContact CB-CB 4.09Å; C22-L79 PolarHBondContact N-O 3.22Å; C22-L79 PolarHBondContact O-N 2.88Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.05Å; C22-C96 WeakPolarHBondContact SG-CB 3.15Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.09Å
23	V	97.1	Very high	94.1	Very high	63 Å²	63	50.3 Å²	50.3	38%	0.382	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.6	-178.4	-175.2	0	0	0	0	109.3	V4 V5 T78	V4-V23 CarbonylContact C-O 3.56Å; V4-V23 WeakPolarHBondContact CA-O 3.22Å; V5-V23 PolarHBondContact N-O 2.92Å; V5-V23 PolarHBondContact O-N 2.99Å; V23-T78 HydrophobicContact CG2-CG2 4.12Å
24	A	94.3	Very high	93.8	Very high	5 Å²	5	45.3 Å²	45.3	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	142.9	175.8	0	0	0	0	0	112.1	V4 F27 F29 N77	V4-A24 HydrophobicContact CG1-CB 4.18Å; A24-F27 HydrophobicContact CB-CD1 4.26Å; A24-F27 HydrophobicContact CB-CE1 3.49Å; A24-F27 VanDerWaalsContact CB-CE1 3.49Å; A24-F27 HydrophobicContact CB-CE2 4.02Å; A24-F27 HydrophobicContact CB-CZ 3.35Å; A24-F29 HydrophobicContact CB-CD2 3.62Å; A24-F29 HydrophobicContact CB-CE2 4.37Å; A24-N77 HydrophobicContact CB-CB 4.37Å; A24-N77 PolarHBondContact N-O 2.85Å
25	S	94.3	Very high	93.7	Very high	43 Å²	43	43.7 Å²	43.7	30%	0.301	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.5	169.5	60.1	0	0	0	0	111.5	V2 Q3	V2-S25 WeakPolarHBondContact CA-O 3.28Å; Q3-S25 WeakPolarHBondContact CG-OG 3.4Å; Q3-S25 PolarHBondContact N-O 3.05Å; Q3-S25 PolarHBondContact NE2-OG 3.24Å; Q3-S25 PolarHBondContact O-N 3.43Å
26	G	92.1	Very high	93.7	Very high	58 Å²	58	41.4 Å²	41.4	60%	0.598	23%	0.234	S	C	*	.	S	Bend	trans	81.1	6.1	-178.9	0	0	0	0	0	115.5
27	F	88.6	Confident	93.7	Very high	27 Å²	27	34 Å²	34	12%	0.118	21%	0.206	C	C	.	.	S	Bend	trans	-153.8	160.3	172.4	68.3	-80.7	0	0	0	112.4	V2 V4 A24 F29 Y32 I34 R98	V2-F27 HydrophobicContact CG1-CD1 3.74Å; V2-F27 HydrophobicContact CG1-CE1 4.23Å; V4-F27 HydrophobicContact CG1-CE1 3.86Å; V4-F27 HydrophobicContact CG1-CZ 3.79Å; A24-F27 HydrophobicContact CB-CD1 4.26Å; A24-F27 HydrophobicContact CB-CE1 3.49Å; A24-F27 VanDerWaalsContact CB-CE1 3.49Å; A24-F27 HydrophobicContact CB-CE2 4.02Å; A24-F27 HydrophobicContact CB-CZ 3.35Å; F27-F29 PolarHBondContact O-N 2.85Å; F27-Y32 HydrophobicContact CB-CE2 4.32Å; F27-Y32 AromaticContact CD2-CD2 3.56Å; F27-Y32 HydrophobicContact CD2-CD2 3.56Å; F27-Y32 AromaticContact CD2-CE2 3.89Å; F27-Y32 HydrophobicContact CD2-CE2 3.89Å; F27-Y32 HydrophobicContact CD2-CG 4.41Å; F27-Y32 HydrophobicContact CE2-CD2 4.05Å; F27-I34 HydrophobicContact CE2-CD1 4.07Å; F27-I34 HydrophobicContact CZ-CD1 4.24Å; F27-R98 HydrophobicContact CE2-CG 4.18Å; F27-R98 HydrophobicContact CZ-CG 4.36Å
28	T	87.2	Confident	93.7	Very high	79 Å²	79	31.9 Å²	31.9	49%	0.485	19%	0.189	S	C	.	.			trans	-77.1	108.2	175.2	-54.4	0	0	0	0	110.1	S30 S31 Y32	T28-S30 WeakPolarHBondContact CG2-OG 3.29Å; T28-S30 PolarHBondContact O-N 2.93Å; T28-S31 PolarHBondContact O-N 2.83Å; T28-Y32 WeakPolarHBondContact O-CD2 3.32Å
29	F	84.8	Confident	93.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-59.6	-29.9	-177.5	-170.8	-90.1	0	0	0	113	A24 F27 S31 I34 R72 N77 L79	A24-F29 HydrophobicContact CB-CD2 3.62Å; A24-F29 HydrophobicContact CB-CE2 4.37Å; F27-F29 PolarHBondContact O-N 2.85Å; F29-S31 PolarHBondContact O-N 3.2Å; F29-I34 HydrophobicContact CD2-CD1 4.19Å; F29-I34 HydrophobicContact CD2-CG1 4.08Å; F29-I34 HydrophobicContact CE1-CG1 4.2Å; F29-I34 HydrophobicContact CE2-CB 4.23Å; F29-I34 HydrophobicContact CE2-CD1 3.97Å; F29-I34 HydrophobicContact CE2-CG1 3.52Å; F29-I34 HydrophobicContact CE2-CG2 4.17Å; F29-I34 HydrophobicContact CZ-CB 4.07Å; F29-I34 HydrophobicContact CZ-CD1 4.49Å; F29-I34 HydrophobicContact CZ-CG1 3.57Å; F29-I34 HydrophobicContact CZ-CG2 4.32Å; F29-R72 HydrophobicContact CE1-CB 3.91Å; F29-R72 PolarHBondContact O-NH2 3.33Å; F29-N77 HydrophobicContact CB-CB 4Å; F29-N77 WeakPolarHBondContact CB-OD1 3.47Å; F29-N77 PolarHBondContact N-OD1 2.87Å; F29-L79 HydrophobicContact CE1-CD1 4.48Å; F29-L79 HydrophobicContact CE2-CB 4.17Å; F29-L79 HydrophobicContact CZ-CB 3.65Å; F29-L79 HydrophobicContact CZ-CD1 3.95Å; F29-L79 HydrophobicContact CZ-CG 4.31Å
30	S	86.3	Confident	93.7	Very high	50 Å²	50	28.5 Å²	28.5	35%	0.35	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-73.4	-1.1	176.5	60.4	0	0	0	0	115.3	T28 Y53	T28-S30 WeakPolarHBondContact CG2-OG 3.29Å; T28-S30 PolarHBondContact O-N 2.93Å; S30-Y53 CarbonylContact C-O 3.42Å; S30-Y53 WeakPolarHBondContact O-CD2 3.44Å
31	S	88.5	Confident	93.5	Very high	58 Å²	58	33.8 Å²	33.8	41%	0.406	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-102	-4.4	178.4	-54	0	0	0	0	113.7	T28 F29	T28-S31 PolarHBondContact O-N 2.83Å; F29-S31 PolarHBondContact O-N 3.2Å
32	Y	89.9	Confident	93.4	Very high	50 Å²	50	37.3 Å²	37.3	20%	0.196	25%	0.253	C	S	.	.	S	Bend	trans	-133.6	146.7	-172.2	-62.9	-88.3	0	0	0	112.3	F27 T28 Y53 R98 R100	F27-Y32 HydrophobicContact CB-CE2 4.32Å; F27-Y32 AromaticContact CD2-CD2 3.56Å; F27-Y32 HydrophobicContact CD2-CD2 3.56Å; F27-Y32 AromaticContact CD2-CE2 3.89Å; F27-Y32 HydrophobicContact CD2-CE2 3.89Å; F27-Y32 HydrophobicContact CD2-CG 4.41Å; F27-Y32 HydrophobicContact CE2-CD2 4.05Å; T28-Y32 WeakPolarHBondContact O-CD2 3.32Å; Y32-Y53 VanDerWaalsContact O-CA 3.26Å; Y32-Y53 WeakPolarHBondContact O-CA 3.21Å; Y32-R98 HydrophobicContact CD1-CG 3.75Å; Y32-R98 HydrophobicContact CD2-CG 4.49Å; Y32-R98 HydrophobicContact CG-CG 3.71Å; Y32-R100 HydrophobicContact CD1-CG 4.22Å; Y32-R100 HydrophobicContact CE1-CG 3.93Å
33	A	91.2	Very high	93.4	Very high	13 Å²	13	43 Å²	43	11%	0.107	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	144	163.7	0	0	0	0	0	108.8	V50 T51 G99	A33-V50 HydrophobicContact CB-CG2 4.37Å; A33-T51 VanDerWaalsContact CA-O 3.28Å; A33-T51 WeakPolarHBondContact CA-O 3.37Å; A33-G99 PolarHBondContact N-O 2.59Å; A33-G99 PolarHBondContact O-N 3.42Å
34	I	93.1	Very high	93.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.3	-179.6	-49.1	-73.5	0	0	0	108.3	F27 F29 V50 T51 L79 C96 A97 R98	F27-I34 HydrophobicContact CE2-CD1 4.07Å; F27-I34 HydrophobicContact CZ-CD1 4.24Å; F29-I34 HydrophobicContact CD2-CD1 4.19Å; F29-I34 HydrophobicContact CD2-CG1 4.08Å; F29-I34 HydrophobicContact CE1-CG1 4.2Å; F29-I34 HydrophobicContact CE2-CB 4.23Å; F29-I34 HydrophobicContact CE2-CD1 3.97Å; F29-I34 HydrophobicContact CE2-CG1 3.52Å; F29-I34 HydrophobicContact CE2-CG2 4.17Å; F29-I34 HydrophobicContact CZ-CB 4.07Å; F29-I34 HydrophobicContact CZ-CD1 4.49Å; F29-I34 HydrophobicContact CZ-CG1 3.57Å; F29-I34 HydrophobicContact CZ-CG2 4.32Å; I34-V50 WeakPolarHBondContact O-CA 3.37Å; I34-T51 PolarHBondContact N-O 2.74Å; I34-T51 VanDerWaalsContact N-O 3.12Å; I34-T51 PolarHBondContact O-N 3.4Å; I34-T51 VanDerWaalsContact O-N 3.16Å; I34-L79 HydrophobicContact CB-CD2 3.94Å; I34-L79 HydrophobicContact CG2-CB 4.46Å; I34-L79 HydrophobicContact CG2-CD2 3.49Å; I34-L79 VanDerWaalsContact CG2-CD2 3.49Å; I34-L79 HydrophobicContact CG2-CG 4.47Å; I34-C96 WeakPolarHBondContact CG2-SG 3.23Å; I34-A97 WeakPolarHBondContact CA-O 3.43Å; I34-R98 HydrophobicContact CD1-CB 4.2Å; I34-R98 HydrophobicContact CD1-CG 4.06Å
35	H	94.9	Very high	93.4	Very high	29 Å²	29	46.6 Å²	46.6	13%	0.134	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142	-172.1	-56.3	-100.4	0	0	0	109.8	V37 W47 V50 C96 A97 M108	H35-V37 HydrophobicContact CB-CG2 4.28Å; H35-W47 AromaticContact ND1-CD1 3.96Å; H35-W47 AromaticContact ND1-NE1 3.75Å; H35-V50 WeakPolarHBondContact CE1-CG2 3.34Å; H35-V50 VanDerWaalsContact ND1-CG2 3.34Å; H35-V50 WeakPolarHBondContact ND1-CG2 3.36Å; H35-C96 VanDerWaalsContact O-CA 3.32Å; H35-C96 WeakPolarHBondContact O-CA 3.2Å; H35-A97 HydrophobicContact CB-CB 4.48Å; H35-A97 PolarHBondContact N-O 3.26Å; H35-A97 PolarHBondContact O-N 3.25Å; H35-M108 HydrophobicContact CB-CE 3.8Å; H35-M108 HydrophobicContact CB-SD 4.42Å; H35-M108 VanDerWaalsContact CG-CE 3.46Å
36	W	97.8	Very high	93.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.2	155.6	-79.9	105.2	0	0	0	108.7	E6 L20 C22 V48 A49 L79 L81 Y95 C96	E6-W36 HydrophobicContact CB-CH2 4.22Å; E6-W36 HydrophobicContact CB-CZ3 4.49Å; E6-W36 HydrophobicContact CG-CH2 3.83Å; E6-W36 HydrophobicContact CG-CZ3 3.86Å; L20-W36 HydrophobicContact CB-CH2 3.7Å; L20-W36 HydrophobicContact CB-CZ2 3.83Å; L20-W36 HydrophobicContact CB-CZ3 4.38Å; L20-W36 HydrophobicContact CD1-CE3 4.4Å; L20-W36 HydrophobicContact CD1-CH2 4.15Å; L20-W36 HydrophobicContact CD1-CZ3 3.97Å; C22-W36 HydrophobicContact CB-CH2 4.01Å; C22-W36 HydrophobicContact CB-CZ2 3.72Å; W36-V48 HydrophobicContact CB-CB 4.16Å; W36-V48 WeakPolarHBondContact O-CB 3.28Å; W36-V48 PolarHBondContact O-N 2.99Å; W36-A49 PolarHBondContact N-O 3.01Å; W36-A49 PolarHBondContact O-N 2.78Å; W36-L79 VanDerWaalsContact CD1-CD2 3.47Å; W36-L79 HydrophobicContact CG-CD2 4.43Å; W36-L79 VanDerWaalsContact NE1-CD2 3.25Å; W36-L81 HydrophobicContact CB-CD2 4.25Å; W36-L81 HydrophobicContact CD2-CB 4.31Å; W36-L81 HydrophobicContact CD2-CD2 4.25Å; W36-L81 HydrophobicContact CG-CB 4.27Å; W36-L81 HydrophobicContact CG-CD2 3.98Å; W36-L81 HydrophobicContact CZ2-CB 4.45Å; W36-Y95 WeakPolarHBondContact CA-O 3.45Å; W36-C96 HydrophobicContact CH2-CB 4.42Å; W36-C96 HydrophobicContact CZ3-CB 4.34Å
37	V	98	Very high	93.7	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.2	176.5	-178.1	0	0	0	0	107	H35 L45 E46 Y94 Y95 M108 W111	H35-V37 HydrophobicContact CB-CG2 4.28Å; V37-L45 HydrophobicContact CG1-CB 3.83Å; V37-L45 HydrophobicContact CG1-CD2 3.8Å; V37-L45 HydrophobicContact CG1-CG 4.34Å; V37-E46 CarbonylContact C-O 3.57Å; V37-E46 WeakPolarHBondContact CA-O 3.49Å; V37-E46 WeakPolarHBondContact CG1-O 3.42Å; V37-Y94 CarbonylContact O-C 3.58Å; V37-Y94 WeakPolarHBondContact O-CA 3.39Å; V37-Y95 PolarHBondContact N-O 3.06Å; V37-Y95 PolarHBondContact O-N 3.37Å; V37-M108 HydrophobicContact CG2-CE 4.14Å; V37-M108 HydrophobicContact CG2-SD 4.27Å; V37-W111 HydrophobicContact CB-CH2 4.14Å; V37-W111 HydrophobicContact CB-CZ3 3.91Å; V37-W111 HydrophobicContact CG1-CH2 4.04Å; V37-W111 HydrophobicContact CG1-CZ3 4.03Å; V37-W111 HydrophobicContact CG2-CH2 3.92Å; V37-W111 HydrophobicContact CG2-CZ3 4.08Å
38	R	98.3	Very high	94.1	Very high	15 Å²	15	49.9 Å²	49.9	6%	0.057	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.4	174.9	74	179.6	-178.4	-175.2	0.8	111.7	E46 V48 D90 A92 V93 Y94	R38-E46 HydrophobicContact CG-CB 4.19Å; R38-E46 IonicContact CZ-OE2 3.81Å; R38-E46 PolarHBondContact N-O 2.69Å; R38-E46 IonicContact NE-OE2 3.24Å; R38-E46 PolarHBondContact NE-OE2 3Å; R38-E46 IonicContact NH2-OE2 3.43Å; R38-E46 PolarHBondContact NH2-OE2 3.32Å; R38-E46 PolarHBondContact O-N 2.96Å; R38-V48 HydrophobicContact CB-CG2 3.73Å; R38-V48 HydrophobicContact CG-CG2 3.54Å; R38-D90 IonicContact NH1-OD1 2.95Å; R38-D90 PolarHBondContact NH1-OD1 3.35Å; R38-A92 HydrophobicContact CB-CB 3.87Å; R38-A92 HydrophobicContact CG-CB 4.22Å; R38-V93 CarbonylContact C-O 3.41Å; R38-V93 WeakPolarHBondContact CA-O 3.29Å; R38-Y94 HydrophobicContact CB-CD1 3.92Å; R38-Y94 HydrophobicContact CB-CD2 4.37Å; R38-Y94 HydrophobicContact CB-CE1 3.9Å; R38-Y94 HydrophobicContact CB-CE2 4.32Å; R38-Y94 HydrophobicContact CB-CG 4.16Å; R38-Y94 PolarHBondContact NH1-OH 3.49Å
39	Q	98.5	Very high	94.6	Very high	74 Å²	74	46.1 Å²	46.1	35%	0.346	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	109.5	171.2	-168.2	177.5	22.6	0	0	109.4	K43 L45 A92 V93 Y95	Q39-K43 WeakPolarHBondContact CG-O 3.34Å; Q39-K43 PolarHBondContact NE2-O 3.43Å; Q39-L45 HydrophobicContact CB-CD2 4.07Å; Q39-A92 WeakPolarHBondContact O-CA 3.17Å; Q39-A92 WeakPolarHBondContact O-CB 3.29Å; Q39-V93 PolarHBondContact N-O 2.8Å; Q39-V93 PolarHBondContact O-N 2.83Å; Q39-Y95 HydrophobicContact CB-CE2 3.89Å
40	A	97.9	Very high	95.1	Very high	13 Å²	13	47.4 Å²	47.4	11%	0.107	28%	0.281	C	S	.	.			trans	-76.7	155	171.6	0	0	0	0	0	110.4	G42 K43 A92	A40-G42 PolarHBondContact O-N 2.95Å; A40-K43 HydrophobicContact CB-CB 4.19Å; A40-K43 HydrophobicContact CB-CD 4.06Å; A40-K43 HydrophobicContact CB-CG 4.16Å; A40-K43 PolarHBondContact O-N 3.24Å; A40-A92 HydrophobicContact CB-CB 4.39Å
41	P	95.4	Very high	95.5	Very high	111 Å²	111	45 Å²	45	72%	0.721	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	127.5	175.9	-25.8	34.8	0	0	0	111.9	K43	P41-K43 PolarHBondContact O-N 3.13Å
42	G	96.3	Very high	95.6	Very high	93 Å²	93	43.1 Å²	43.1	96%	0.959	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	7.2	-179.2	0	0	0	0	0	115.5	A40	A40-G42 PolarHBondContact O-N 2.95Å
43	K	96.1	Very high	95.5	Very high	120 Å²	120	45.5 Å²	45.5	52%	0.522	26%	0.26	S	S	.	.			trans	-112.8	163.4	177.4	-62.3	-160.8	-179.3	-178.9	0	112.9	Q39 A40 P41	Q39-K43 WeakPolarHBondContact CG-O 3.34Å; Q39-K43 PolarHBondContact NE2-O 3.43Å; A40-K43 HydrophobicContact CB-CB 4.19Å; A40-K43 HydrophobicContact CB-CD 4.06Å; A40-K43 HydrophobicContact CB-CG 4.16Å; A40-K43 PolarHBondContact O-N 3.24Å; P41-K43 PolarHBondContact O-N 3.13Å
44	G	96.1	Very high	95.2	Very high	52 Å²	52	48.2 Å²	48.2	54%	0.536	27%	0.273	S	S	.	.			trans	-74.1	-179.6	168.6	0	0	0	0	0	112.7
45	L	96.5	Very high	95	Very high	91 Å²	91	49.1 Å²	49.1	48%	0.476	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.8	173.8	-69.5	168	0	0	0	110.5	V37 Q39 Y95 W111	V37-L45 HydrophobicContact CG1-CB 3.83Å; V37-L45 HydrophobicContact CG1-CD2 3.8Å; V37-L45 HydrophobicContact CG1-CG 4.34Å; Q39-L45 HydrophobicContact CB-CD2 4.07Å; L45-Y95 HydrophobicContact CD2-CD2 4.13Å; L45-Y95 HydrophobicContact CD2-CE2 4.14Å; L45-W111 HydrophobicContact CD1-CH2 4.01Å; L45-W111 HydrophobicContact CD1-CZ3 4.35Å; L45-W111 HydrophobicContact CD2-CZ3 4.37Å
46	E	96.6	Very high	94.7	Very high	60 Å²	60	52.3 Å²	52.3	28%	0.28	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.6	178.3	-65.1	178.3	171.5	0	0	109.7	V37 R38	V37-E46 CarbonylContact C-O 3.57Å; V37-E46 WeakPolarHBondContact CA-O 3.49Å; V37-E46 WeakPolarHBondContact CG1-O 3.42Å; R38-E46 HydrophobicContact CG-CB 4.19Å; R38-E46 IonicContact CZ-OE2 3.81Å; R38-E46 PolarHBondContact N-O 2.69Å; R38-E46 IonicContact NE-OE2 3.24Å; R38-E46 PolarHBondContact NE-OE2 3Å; R38-E46 IonicContact NH2-OE2 3.43Å; R38-E46 PolarHBondContact NH2-OE2 3.32Å; R38-E46 PolarHBondContact O-N 2.96Å
47	W	95.9	Very high	94.3	Very high	137 Å²	137	56.2 Å²	56.2	52%	0.519	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.1	170.2	-80.7	-94.6	0	0	0	110.8	H35 W59 A61 M108	H35-W47 AromaticContact ND1-CD1 3.96Å; H35-W47 AromaticContact ND1-NE1 3.75Å; W47-W59 HydrophobicContact CB-CH2 4.09Å; W47-W59 HydrophobicContact CB-CZ3 3.75Å; W47-A61 VanDerWaalsContact O-CB 3.28Å; W47-A61 WeakPolarHBondContact O-CB 3.36Å; W47-M108 HydrophobicContact CZ2-CE 3.76Å
48	V	97.9	Very high	94.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-54.1	178.2	177.9	0	0	0	0	110.4	W36 R38 A61 V64 F68 L81 Y94	W36-V48 HydrophobicContact CB-CB 4.16Å; W36-V48 WeakPolarHBondContact O-CB 3.28Å; W36-V48 PolarHBondContact O-N 2.99Å; R38-V48 HydrophobicContact CB-CG2 3.73Å; R38-V48 HydrophobicContact CG-CG2 3.54Å; V48-A61 PolarHBondContact O-N 3.02Å; V48-V64 HydrophobicContact CG1-CG1 4.29Å; V48-V64 HydrophobicContact CG1-CG2 4.01Å; V48-V64 WeakPolarHBondContact O-CG2 3.23Å; V48-F68 HydrophobicContact CG1-CD2 3.85Å; V48-F68 HydrophobicContact CG1-CE2 4.2Å; V48-L81 HydrophobicContact CG1-CD2 4.03Å; V48-Y94 HydrophobicContact CG1-CE1 4.36Å; V48-Y94 HydrophobicContact CG2-CD1 4.4Å; V48-Y94 HydrophobicContact CG2-CE1 4.02Å
49	A	97.4	Very high	94	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	156.6	179.2	0	0	0	0	0	110.9	W36 W59 Y60 I70 L81	W36-A49 PolarHBondContact N-O 3.01Å; W36-A49 PolarHBondContact O-N 2.78Å; A49-W59 CarbonylContact C-O 3.51Å; A49-W59 WeakPolarHBondContact CA-O 3.41Å; A49-Y60 HydrophobicContact CB-CD1 3.84Å; A49-Y60 HydrophobicContact CB-CE1 4.14Å; A49-I70 HydrophobicContact CB-CB 4.19Å; A49-I70 HydrophobicContact CB-CD1 4.02Å; A49-L81 HydrophobicContact CB-CD1 4.2Å
50	V	95	Very high	93.9	Very high	27 Å²	27	64.2 Å²	64.2	16%	0.164	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	146.4	172.2	56.1	0	0	0	0	109.6	A33 I34 H35 Q58 W59	A33-V50 HydrophobicContact CB-CG2 4.37Å; I34-V50 WeakPolarHBondContact O-CA 3.37Å; H35-V50 WeakPolarHBondContact CE1-CG2 3.34Å; H35-V50 VanDerWaalsContact ND1-CG2 3.34Å; H35-V50 WeakPolarHBondContact ND1-CG2 3.36Å; V50-Q58 VanDerWaalsContact O-CA 3.28Å; V50-Q58 WeakPolarHBondContact O-CA 3.21Å; V50-W59 HydrophobicContact CG1-CB 3.72Å; V50-W59 HydrophobicContact CG1-CE3 4.19Å; V50-W59 PolarHBondContact N-O 2.91Å; V50-W59 PolarHBondContact O-N 2.95Å
51	T	93.4	Very high	93.9	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.5	167.3	-168.8	0	0	0	0	110.1	A33 I34 G55 N57 I70 L79	A33-T51 VanDerWaalsContact CA-O 3.28Å; A33-T51 WeakPolarHBondContact CA-O 3.37Å; I34-T51 PolarHBondContact N-O 2.74Å; I34-T51 VanDerWaalsContact N-O 3.12Å; I34-T51 PolarHBondContact O-N 3.4Å; I34-T51 VanDerWaalsContact O-N 3.16Å; T51-G55 WeakPolarHBondContact OG1-CA 3.32Å; T51-N57 CarbonylContact C-O 3.6Å; T51-N57 WeakPolarHBondContact CA-O 3.41Å; T51-I70 HydrophobicContact CG2-CD1 4.03Å; T51-L79 HydrophobicContact CG2-CD1 3.57Å
52	S	90.6	Very high	94	Very high	17 Å²	17	65.5 Å²	65.5	12%	0.119	36%	0.356	C	S	.	.			trans	-64.4	164.2	174	56.4	0	0	0	0	111.9	D54 G55 T56 N57	S52-D54 VanDerWaalsContact CB-OD1 3.3Å; S52-D54 WeakPolarHBondContact CB-OD1 3.42Å; S52-D54 PolarHBondContact O-N 2.91Å; S52-D54 VanDerWaalsContact O-N 3.13Å; S52-D54 PolarHBondContact OG-OD1 2.98Å; S52-G55 PolarHBondContact O-N 2.82Å; S52-T56 PolarHBondContact OG-N 2.97Å; S52-N57 PolarHBondContact N-O 2.95Å; S52-N57 PolarHBondContact OG-N 2.89Å; S52-N57 PolarHBondContact OG-O 2.87Å
53	Y	87.7	Confident	94	Very high	101 Å²	101	64 Å²	64	40%	0.396	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-26	-179	74.2	-77.9	0	0	0	115.1	S30 Y32 R72 L101	S30-Y53 CarbonylContact C-O 3.42Å; S30-Y53 WeakPolarHBondContact O-CD2 3.44Å; Y32-Y53 VanDerWaalsContact O-CA 3.26Å; Y32-Y53 WeakPolarHBondContact O-CA 3.21Å; Y53-R72 VanDerWaalsContact C-NH1 3.31Å; Y53-R72 PolarHBondContact O-NH1 3.13Å; Y53-R72 PolarHBondContact O-NH2 3.27Å; Y53-L101 HydrophobicContact CD1-CD1 3.35Å; Y53-L101 HydrophobicContact CD1-CD2 3.31Å; Y53-L101 HydrophobicContact CD1-CG 3.93Å; Y53-L101 HydrophobicContact CD2-CD1 4.13Å; Y53-L101 HydrophobicContact CE1-CD1 3.75Å; Y53-L101 HydrophobicContact CE1-CD2 4.01Å; Y53-L101 HydrophobicContact CE2-CD1 4.48Å; Y53-L101 HydrophobicContact CG-CD1 3.53Å; Y53-L101 HydrophobicContact CG-CD2 4.04Å; Y53-L101 HydrophobicContact CG-CG 4.32Å
54	D	86.1	Confident	94.1	Very high	69 Å²	69	58.2 Å²	58.2	37%	0.369	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-8.9	176.8	61.9	-11.2	0	0	0	112.4	S52 T56	S52-D54 VanDerWaalsContact CB-OD1 3.3Å; S52-D54 WeakPolarHBondContact CB-OD1 3.42Å; S52-D54 PolarHBondContact O-N 2.91Å; S52-D54 VanDerWaalsContact O-N 3.13Å; S52-D54 PolarHBondContact OG-OD1 2.98Å; D54-T56 VanDerWaalsContact C-N 3.28Å; D54-T56 HydrophobicContact CB-CG2 4.27Å; D54-T56 PolarHBondContact O-N 3.17Å; D54-T56 PolarHBondContact OD1-N 2.7Å; D54-T56 PolarHBondContact OD1-OG1 2.91Å; D54-T56 WeakPolarHBondContact OD2-CG2 3.29Å; D54-T56 PolarHBondContact OD2-OG1 3.26Å
55	G	87.7	Confident	94.2	Very high	20 Å²	20	62.5 Å²	62.5	21%	0.206	31%	0.31	C	S	.	.	S	Bend	trans	80.6	-0.3	-179.4	0	0	0	0	0	115.2	T51 S52	T51-G55 WeakPolarHBondContact OG1-CA 3.32Å; S52-G55 PolarHBondContact O-N 2.82Å
56	T	88.6	Confident	94.2	Very high	95 Å²	95	62.1 Å²	62.1	58%	0.583	33%	0.328	S	S	*	.			trans	-76.3	-30.2	-173.7	60.3	0	0	0	0	112.7	S52 D54	S52-T56 PolarHBondContact OG-N 2.97Å; D54-T56 VanDerWaalsContact C-N 3.28Å; D54-T56 HydrophobicContact CB-CG2 4.27Å; D54-T56 PolarHBondContact O-N 3.17Å; D54-T56 PolarHBondContact OD1-N 2.7Å; D54-T56 PolarHBondContact OD1-OG1 2.91Å; D54-T56 WeakPolarHBondContact OD2-CG2 3.29Å; D54-T56 PolarHBondContact OD2-OG1 3.26Å
57	N	90	Very high	94.3	Very high	82 Å²	82	60.3 Å²	60.3	44%	0.439	32%	0.318	S	S	.	.			trans	-111.2	127.5	179.6	-66.1	-64.3	0	0	0	109.9	T51 S52	T51-N57 CarbonylContact C-O 3.6Å; T51-N57 WeakPolarHBondContact CA-O 3.41Å; S52-N57 PolarHBondContact N-O 2.95Å; S52-N57 PolarHBondContact OG-N 2.89Å; S52-N57 PolarHBondContact OG-O 2.87Å
58	Q	94.6	Very high	94.4	Very high	90 Å²	90	54 Å²	54	42%	0.421	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.7	176.6	-61.1	-178	-2.2	0	0	109.4	V50 Y60 I70	V50-Q58 VanDerWaalsContact O-CA 3.28Å; V50-Q58 WeakPolarHBondContact O-CA 3.21Å; Q58-Y60 HydrophobicContact CB-CE2 3.86Å; Q58-Y60 PolarHBondContact OE1-OH 3.04Å; Q58-I70 HydrophobicContact CB-CG2 4.19Å; Q58-I70 HydrophobicContact CG-CG2 3.9Å; Q58-I70 PolarHBondContact NE2-O 3.24Å
59	W	95.4	Very high	94.4	Very high	129 Å²	129	57.4 Å²	57.4	49%	0.489	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.2	171.7	175.1	96.3	0	0	0	109.4	W47 A49 V50 A61	W47-W59 HydrophobicContact CB-CH2 4.09Å; W47-W59 HydrophobicContact CB-CZ3 3.75Å; A49-W59 CarbonylContact C-O 3.51Å; A49-W59 WeakPolarHBondContact CA-O 3.41Å; V50-W59 HydrophobicContact CG1-CB 3.72Å; V50-W59 HydrophobicContact CG1-CE3 4.19Å; V50-W59 PolarHBondContact N-O 2.91Å; V50-W59 PolarHBondContact O-N 2.95Å; W59-A61 HydrophobicContact CH2-CB 3.77Å; W59-A61 HydrophobicContact CZ3-CB 4.13Å
60	Y	97.8	Very high	94.4	Very high	41 Å²	41	57.4 Å²	57.4	16%	0.161	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.1	-179	-62	-94.2	0	0	0	108.6	A49 Q58 F68 I70	A49-Y60 HydrophobicContact CB-CD1 3.84Å; A49-Y60 HydrophobicContact CB-CE1 4.14Å; Q58-Y60 HydrophobicContact CB-CE2 3.86Å; Q58-Y60 PolarHBondContact OE1-OH 3.04Å; Y60-F68 VanDerWaalsContact CE1-O 3.29Å; Y60-F68 WeakPolarHBondContact CE1-O 3.1Å; Y60-I70 HydrophobicContact CE1-CB 4.21Å; Y60-I70 HydrophobicContact CE1-CG2 4.09Å; Y60-I70 WeakPolarHBondContact OH-CG2 3.5Å; Y60-I70 PolarHBondContact OH-N 2.97Å
61	A	97.3	Very high	94.5	Very high	12 Å²	12	58.3 Å²	58.3	10%	0.099	32%	0.323	C	S	.	.			trans	-65.7	144.8	169.9	0	0	0	0	0	110.6	W47 V48 W59 S63 V64 K65	W47-A61 VanDerWaalsContact O-CB 3.28Å; W47-A61 WeakPolarHBondContact O-CB 3.36Å; V48-A61 PolarHBondContact O-N 3.02Å; W59-A61 HydrophobicContact CH2-CB 3.77Å; W59-A61 HydrophobicContact CZ3-CB 4.13Å; A61-S63 PolarHBondContact O-N 2.86Å; A61-S63 VanDerWaalsContact O-N 3.13Å; A61-V64 HydrophobicContact CB-CG2 4.26Å; A61-V64 WeakPolarHBondContact O-CG2 3.23Å; A61-V64 PolarHBondContact O-N 3.41Å; A61-K65 PolarHBondContact O-N 3.38Å
62	D	97.8	Very high	94.5	Very high	139 Å²	139	60.4 Å²	60.4	74%	0.743	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.4	-177.4	-68.1	-34.3	0	0	0	112.5	V64	D62-V64 PolarHBondContact O-N 3.28Å
63	S	96.5	Very high	94.6	Very high	60 Å²	60	61.4 Å²	61.4	42%	0.42	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.9	177.1	58.7	0	0	0	0	114.7	A61 R67	A61-S63 PolarHBondContact O-N 2.86Å; A61-S63 VanDerWaalsContact O-N 3.13Å; S63-R67 PolarHBondContact O-NH2 2.93Å
64	V	97.9	Very high	94.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-7.1	-176	-57.9	0	0	0	0	113.4	V48 A61 D62 G66 R67 F68	V48-V64 HydrophobicContact CG1-CG1 4.29Å; V48-V64 HydrophobicContact CG1-CG2 4.01Å; V48-V64 WeakPolarHBondContact O-CG2 3.23Å; A61-V64 HydrophobicContact CB-CG2 4.26Å; A61-V64 WeakPolarHBondContact O-CG2 3.23Å; A61-V64 PolarHBondContact O-N 3.41Å; D62-V64 PolarHBondContact O-N 3.28Å; V64-G66 PolarHBondContact O-N 2.81Å; V64-R67 WeakPolarHBondContact O-CB 3.46Å; V64-R67 PolarHBondContact O-N 3.03Å; V64-F68 HydrophobicContact CB-CB 4.11Å; V64-F68 HydrophobicContact CB-CD1 4.32Å; V64-F68 HydrophobicContact CB-CD2 3.6Å; V64-F68 HydrophobicContact CB-CE2 4.02Å; V64-F68 HydrophobicContact CB-CG 3.76Å; V64-F68 HydrophobicContact CG1-CD2 3.65Å; V64-F68 HydrophobicContact CG1-CE2 3.53Å; V64-F68 HydrophobicContact CG1-CG 4.23Å; V64-F68 HydrophobicContact CG1-CZ 4.02Å; V64-F68 HydrophobicContact CG2-CB 4.37Å; V64-F68 HydrophobicContact CG2-CD2 4.14Å; V64-F68 HydrophobicContact CG2-CG 4.43Å; V64-F68 PolarHBondContact O-N 3.41Å
65	K	96.8	Very high	95	Very high	141 Å²	141	61.6 Å²	61.6	61%	0.613	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	132.4	-179.3	-164	172.6	-174.1	175.8	0	110.8	A61 R67	A61-K65 PolarHBondContact O-N 3.38Å; K65-R67 PolarHBondContact O-N 3Å
66	G	97.1	Very high	95.2	Very high	83 Å²	83	66.5 Å²	66.5	86%	0.856	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-5.8	-175.9	0	0	0	0	0	115.2	V64	V64-G66 PolarHBondContact O-N 2.81Å
67	R	98.3	Very high	95.5	Very high	23 Å²	23	64.6 Å²	64.6	9%	0.087	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-39.8	176.1	-60.8	-168.7	-59.4	116.9	-0.6	112.3	S63 V64 K65 N84 S85 D90	S63-R67 PolarHBondContact O-NH2 2.93Å; V64-R67 WeakPolarHBondContact O-CB 3.46Å; V64-R67 PolarHBondContact O-N 3.03Å; K65-R67 PolarHBondContact O-N 3Å; R67-N84 VanDerWaalsContact O-CB 3.3Å; R67-N84 WeakPolarHBondContact O-CB 3.42Å; R67-N84 PolarHBondContact O-N 3.04Å; R67-S85 PolarHBondContact NH1-O 2.8Å; R67-D90 IonicContact CZ-OD1 2.66Å; R67-D90 IonicContact CZ-OD2 2.99Å; R67-D90 IonicContact NH1-OD1 3.56Å; R67-D90 IonicContact NH1-OD2 3.95Å; R67-D90 PolarHBondContact NH1-OD2 3.12Å; R67-D90 IonicContact NH2-OD1 3.95Å; R67-D90 PolarHBondContact NH2-OD1 3.25Å; R67-D90 IonicContact NH2-OD2 2.69Å; R67-D90 PolarHBondContact NH2-OD2 3.42Å; R67-D90 VanDerWaalsContact NH2-OD2 3.13Å
68	F	98.5	Very high	95.8	Very high	5 Å²	5	61.1 Å²	61.1	2%	0.022	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.7	-177.2	-65.9	9.9	0	0	0	110.8	V48 Y60 V64 L81 Q82 M83 L86 D90 Y94	V48-F68 HydrophobicContact CG1-CD2 3.85Å; V48-F68 HydrophobicContact CG1-CE2 4.2Å; Y60-F68 VanDerWaalsContact CE1-O 3.29Å; Y60-F68 WeakPolarHBondContact CE1-O 3.1Å; V64-F68 HydrophobicContact CB-CB 4.11Å; V64-F68 HydrophobicContact CB-CD1 4.32Å; V64-F68 HydrophobicContact CB-CD2 3.6Å; V64-F68 HydrophobicContact CB-CE2 4.02Å; V64-F68 HydrophobicContact CB-CG 3.76Å; V64-F68 HydrophobicContact CG1-CD2 3.65Å; V64-F68 HydrophobicContact CG1-CE2 3.53Å; V64-F68 HydrophobicContact CG1-CG 4.23Å; V64-F68 HydrophobicContact CG1-CZ 4.02Å; V64-F68 HydrophobicContact CG2-CB 4.37Å; V64-F68 HydrophobicContact CG2-CD2 4.14Å; V64-F68 HydrophobicContact CG2-CG 4.43Å; V64-F68 PolarHBondContact O-N 3.41Å; F68-L81 HydrophobicContact CB-CD1 4.19Å; F68-L81 HydrophobicContact CD2-CD1 4.5Å; F68-L81 HydrophobicContact CD2-CD2 4.1Å; F68-L81 HydrophobicContact CD2-CG 4.4Å; F68-Q82 CarbonylContact C-O 3.52Å; F68-Q82 WeakPolarHBondContact CA-O 3Å; F68-M83 HydrophobicContact CD1-CB 3.93Å; F68-M83 HydrophobicContact CD1-CG 4.14Å; F68-M83 HydrophobicContact CD2-CG 3.88Å; F68-M83 HydrophobicContact CE1-CB 3.77Å; F68-M83 HydrophobicContact CE1-CG 4.1Å; F68-M83 HydrophobicContact CE2-CB 4.38Å; F68-M83 HydrophobicContact CE2-CE 3.83Å; F68-M83 HydrophobicContact CE2-CG 3.81Å; F68-M83 HydrophobicContact CE2-SD 4.38Å; F68-M83 HydrophobicContact CG-CB 4.35Å; F68-M83 HydrophobicContact CG-CG 4.07Å; F68-M83 HydrophobicContact CZ-CB 4.02Å; F68-M83 HydrophobicContact CZ-CE 3.73Å; F68-M83 HydrophobicContact CZ-CG 3.94Å; F68-L86 HydrophobicContact CE1-CD2 3.93Å; F68-L86 HydrophobicContact CZ-CD2 3.74Å; F68-D90 HydrophobicContact CZ-CB 4.29Å; F68-Y94 HydrophobicContact CE2-CE1 4.36Å
69	T	98.3	Very high	95.9	Very high	70 Å²	70	56.8 Å²	56.8	43%	0.429	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.6	178.4	-52	0	0	0	0	109.5	Q82	T69-Q82 PolarHBondContact N-O 3.02Å; T69-Q82 PolarHBondContact O-N 3.01Å
70	I	97.8	Very high	96	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.8	172.5	-161.2	173.6	0	0	0	108.8	A49 T51 Q58 Y60 L79 Y80 L81	A49-I70 HydrophobicContact CB-CB 4.19Å; A49-I70 HydrophobicContact CB-CD1 4.02Å; T51-I70 HydrophobicContact CG2-CD1 4.03Å; Q58-I70 HydrophobicContact CB-CG2 4.19Å; Q58-I70 HydrophobicContact CG-CG2 3.9Å; Q58-I70 PolarHBondContact NE2-O 3.24Å; Y60-I70 HydrophobicContact CE1-CB 4.21Å; Y60-I70 HydrophobicContact CE1-CG2 4.09Å; Y60-I70 WeakPolarHBondContact OH-CG2 3.5Å; Y60-I70 PolarHBondContact OH-N 2.97Å; I70-L79 HydrophobicContact CD1-CD1 3.98Å; I70-L79 HydrophobicContact CD1-CD2 3.92Å; I70-L79 HydrophobicContact CD1-CG 4.28Å; I70-L79 HydrophobicContact CG1-CD1 3.82Å; I70-L79 HydrophobicContact CG1-CD2 4.26Å; I70-L79 HydrophobicContact CG1-CG 4.12Å; I70-Y80 WeakPolarHBondContact CA-O 3.31Å; I70-L81 HydrophobicContact CB-CD1 4.36Å
71	S	95.8	Very high	96.1	Very high	46 Å²	46	50.6 Å²	50.6	32%	0.322	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.1	174.1	57.6	0	0	0	0	110	L79 Y80	S71-L79 WeakPolarHBondContact O-CD1 2.91Å; S71-Y80 PolarHBondContact N-O 3.04Å; S71-Y80 PolarHBondContact O-N 3.16Å
72	R	93.5	Very high	96.1	Very high	44 Å²	44	52.6 Å²	52.6	17%	0.166	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.3	-176.2	64.1	-167	-55.7	-122.6	9.7	111.5	F29 Y53 N74 L79	F29-R72 HydrophobicContact CE1-CB 3.91Å; F29-R72 PolarHBondContact O-NH2 3.33Å; Y53-R72 VanDerWaalsContact C-NH1 3.31Å; Y53-R72 PolarHBondContact O-NH1 3.13Å; Y53-R72 PolarHBondContact O-NH2 3.27Å; R72-N74 PolarHBondContact NE-OD1 2.8Å; R72-N74 PolarHBondContact NH1-ND2 2.84Å; R72-N74 PolarHBondContact NH1-OD1 2.96Å; R72-N74 PolarHBondContact NH2-OD1 2.9Å; R72-N74 VanDerWaalsContact NH2-OD1 3.15Å; R72-L79 HydrophobicContact CB-CD1 4.02Å
73	D	93.5	Very high	96.2	Very high	39 Å²	39	46 Å²	46	21%	0.209	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	100.2	171.9	-174.5	-18.2	0	0	0	108.4	S75 K76 N77 T78 Y80	D73-S75 VanDerWaalsContact C-N 3.26Å; D73-S75 PolarHBondContact O-N 2.95Å; D73-S75 WeakPolarHBondContact OD1-CB 3.33Å; D73-S75 PolarHBondContact OD1-N 2.66Å; D73-S75 PolarHBondContact OD1-OG 2.89Å; D73-K76 HydrophobicContact CB-CB 4.3Å; D73-K76 CarbonylContact O-C 3.58Å; D73-K76 PolarHBondContact O-N 3.18Å; D73-K76 PolarHBondContact OD1-N 2.83Å; D73-K76 WeakPolarHBondContact OD2-CD 2.99Å; D73-K76 VanDerWaalsContact OD2-CE 3.22Å; D73-K76 WeakPolarHBondContact OD2-CE 3.32Å; D73-K76 WeakPolarHBondContact OD2-CG 3.44Å; D73-K76 IonicContact OD2-NZ 3.36Å; D73-K76 PolarHBondContact OD2-NZ 2.97Å; D73-N77 PolarHBondContact O-N 3.47Å; D73-T78 PolarHBondContact N-O 2.83Å; D73-T78 PolarHBondContact O-N 2.96Å; D73-Y80 HydrophobicContact CB-CE2 4.01Å
74	N	91.2	Very high	96.3	Very high	69 Å²	69	45.7 Å²	45.7	37%	0.369	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-67.9	-28.2	-179.4	-68.1	-20.3	0	0	0	112	R72 K76 N77	R72-N74 PolarHBondContact NE-OD1 2.8Å; R72-N74 PolarHBondContact NH1-ND2 2.84Å; R72-N74 PolarHBondContact NH1-OD1 2.96Å; R72-N74 PolarHBondContact NH2-OD1 2.9Å; R72-N74 VanDerWaalsContact NH2-OD1 3.15Å; N74-K76 PolarHBondContact O-N 2.72Å; N74-N77 PolarHBondContact O-N 2.02Å
75	S	91.3	Very high	96.3	Very high	104 Å²	104	48.8 Å²	48.8	73%	0.727	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-67.3	-28.1	177.6	75.9	0	0	0	0	111.9	D73	D73-S75 VanDerWaalsContact C-N 3.26Å; D73-S75 PolarHBondContact O-N 2.95Å; D73-S75 WeakPolarHBondContact OD1-CB 3.33Å; D73-S75 PolarHBondContact OD1-N 2.66Å; D73-S75 PolarHBondContact OD1-OG 2.89Å
76	K	92.4	Very high	96.3	Very high	123 Å²	123	42.1 Å²	42.1	54%	0.535	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-102.9	2.9	177.7	-61	-178.3	-168.6	161.7	0	113.6	D73 N74 T78	D73-K76 HydrophobicContact CB-CB 4.3Å; D73-K76 CarbonylContact O-C 3.58Å; D73-K76 PolarHBondContact O-N 3.18Å; D73-K76 PolarHBondContact OD1-N 2.83Å; D73-K76 WeakPolarHBondContact OD2-CD 2.99Å; D73-K76 VanDerWaalsContact OD2-CE 3.22Å; D73-K76 WeakPolarHBondContact OD2-CE 3.32Å; D73-K76 WeakPolarHBondContact OD2-CG 3.44Å; D73-K76 IonicContact OD2-NZ 3.36Å; D73-K76 PolarHBondContact OD2-NZ 2.97Å; N74-K76 PolarHBondContact O-N 2.72Å; K76-T78 PolarHBondContact O-N 2.83Å; K76-T78 VanDerWaalsContact O-N 3.13Å; K76-T78 PolarHBondContact O-OG1 2.91Å
77	N	94.1	Very high	96.4	Very high	56 Å²	56	44.4 Å²	44.4	30%	0.299	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	41.3	-170.4	-70.9	-47	0	0	0	112.7	A24 F29 D73 N74	A24-N77 HydrophobicContact CB-CB 4.37Å; A24-N77 PolarHBondContact N-O 2.85Å; F29-N77 HydrophobicContact CB-CB 4Å; F29-N77 WeakPolarHBondContact CB-OD1 3.47Å; F29-N77 PolarHBondContact N-OD1 2.87Å; D73-N77 PolarHBondContact O-N 3.47Å; N74-N77 PolarHBondContact O-N 2.02Å
78	T	95.9	Very high	96.4	Very high	8 Å²	8	46.6 Å²	46.6	5%	0.049	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.5	-170.9	-56.9	0	0	0	0	111.7	C22 V23 D73 K76 Y80	C22-T78 CarbonylContact O-C 3.51Å; C22-T78 VanDerWaalsContact O-CA 3.31Å; C22-T78 WeakPolarHBondContact O-CA 3.44Å; V23-T78 HydrophobicContact CG2-CG2 4.12Å; D73-T78 PolarHBondContact N-O 2.83Å; D73-T78 PolarHBondContact O-N 2.96Å; K76-T78 PolarHBondContact O-N 2.83Å; K76-T78 VanDerWaalsContact O-N 3.13Å; K76-T78 PolarHBondContact O-OG1 2.91Å; T78-Y80 HydrophobicContact CG2-CD1 4.16Å; T78-Y80 HydrophobicContact CG2-CD2 4.33Å; T78-Y80 HydrophobicContact CG2-CE1 3.59Å; T78-Y80 HydrophobicContact CG2-CE2 3.79Å; T78-Y80 HydrophobicContact CG2-CG 4.5Å
79	L	96.9	Very high	96.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.6	164.1	-160.2	63.4	0	0	0	109.8	S21 C22 F29 I34 W36 T51 I70 S71 R72	S21-L79 CarbonylContact C-O 3.5Å; S21-L79 VanDerWaalsContact CA-O 3.23Å; S21-L79 WeakPolarHBondContact CA-O 3.33Å; C22-L79 HydrophobicContact CB-CB 4.09Å; C22-L79 PolarHBondContact N-O 3.22Å; C22-L79 PolarHBondContact O-N 2.88Å; F29-L79 HydrophobicContact CE1-CD1 4.48Å; F29-L79 HydrophobicContact CE2-CB 4.17Å; F29-L79 HydrophobicContact CZ-CB 3.65Å; F29-L79 HydrophobicContact CZ-CD1 3.95Å; F29-L79 HydrophobicContact CZ-CG 4.31Å; I34-L79 HydrophobicContact CB-CD2 3.94Å; I34-L79 HydrophobicContact CG2-CB 4.46Å; I34-L79 HydrophobicContact CG2-CD2 3.49Å; I34-L79 VanDerWaalsContact CG2-CD2 3.49Å; I34-L79 HydrophobicContact CG2-CG 4.47Å; W36-L79 VanDerWaalsContact CD1-CD2 3.47Å; W36-L79 HydrophobicContact CG-CD2 4.43Å; W36-L79 VanDerWaalsContact NE1-CD2 3.25Å; T51-L79 HydrophobicContact CG2-CD1 3.57Å; I70-L79 HydrophobicContact CD1-CD1 3.98Å; I70-L79 HydrophobicContact CD1-CD2 3.92Å; I70-L79 HydrophobicContact CD1-CG 4.28Å; I70-L79 HydrophobicContact CG1-CD1 3.82Å; I70-L79 HydrophobicContact CG1-CD2 4.26Å; I70-L79 HydrophobicContact CG1-CG 4.12Å; S71-L79 WeakPolarHBondContact O-CD1 2.91Å; R72-L79 HydrophobicContact CB-CD1 4.02Å
80	Y	98.1	Very high	96.3	Very high	39 Å²	39	49.3 Å²	49.3	15%	0.153	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.6	170.2	-57.5	-80.2	0	0	0	111	R19 L20 I70 S71 D73 T78	R19-Y80 VanDerWaalsContact NH2-CD2 3.26Å; L20-Y80 VanDerWaalsContact O-CA 3.25Å; L20-Y80 WeakPolarHBondContact O-CA 3.4Å; I70-Y80 WeakPolarHBondContact CA-O 3.31Å; S71-Y80 PolarHBondContact N-O 3.04Å; S71-Y80 PolarHBondContact O-N 3.16Å; D73-Y80 HydrophobicContact CB-CE2 4.01Å; T78-Y80 HydrophobicContact CG2-CD1 4.16Å; T78-Y80 HydrophobicContact CG2-CD2 4.33Å; T78-Y80 HydrophobicContact CG2-CE1 3.59Å; T78-Y80 HydrophobicContact CG2-CE2 3.79Å; T78-Y80 HydrophobicContact CG2-CG 4.5Å
81	L	98.7	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	104.3	166.8	-171.5	68.3	0	0	0	108.3	R19 L20 W36 V48 A49 F68 I70 M83 Y94	R19-L81 WeakPolarHBondContact CA-O 3.26Å; L20-L81 HydrophobicContact CB-CB 4.29Å; L20-L81 HydrophobicContact CD1-CD2 4.46Å; L20-L81 PolarHBondContact N-O 3.21Å; L20-L81 PolarHBondContact O-N 2.94Å; W36-L81 HydrophobicContact CB-CD2 4.25Å; W36-L81 HydrophobicContact CD2-CB 4.31Å; W36-L81 HydrophobicContact CD2-CD2 4.25Å; W36-L81 HydrophobicContact CG-CB 4.27Å; W36-L81 HydrophobicContact CG-CD2 3.98Å; W36-L81 HydrophobicContact CZ2-CB 4.45Å; V48-L81 HydrophobicContact CG1-CD2 4.03Å; A49-L81 HydrophobicContact CB-CD1 4.2Å; F68-L81 HydrophobicContact CB-CD1 4.19Å; F68-L81 HydrophobicContact CD2-CD1 4.5Å; F68-L81 HydrophobicContact CD2-CD2 4.1Å; F68-L81 HydrophobicContact CD2-CG 4.4Å; I70-L81 HydrophobicContact CB-CD1 4.36Å; L81-M83 HydrophobicContact CD2-CG 3.93Å; L81-M83 HydrophobicContact CD2-SD 4.02Å; L81-M83 HydrophobicContact CG-CG 3.87Å; L81-M83 HydrophobicContact CG-SD 4.48Å; L81-M83 PolarHBondContact O-N 3.33Å; L81-Y94 HydrophobicContact CD2-CD1 4.34Å; L81-Y94 HydrophobicContact CD2-CE1 4.38Å
82	Q	98.6	Very high	96.5	Very high	55 Å²	55	49 Å²	49	26%	0.257	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119	169.5	-178.1	61.8	34.5	0	0	107.8	F68 T69 N84	F68-Q82 CarbonylContact C-O 3.52Å; F68-Q82 WeakPolarHBondContact CA-O 3Å; T69-Q82 PolarHBondContact N-O 3.02Å; T69-Q82 PolarHBondContact O-N 3.01Å; Q82-N84 PolarHBondContact NE2-OD1 2.92Å
83	M	98.6	Very high	96.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	101.3	-176.9	-64.4	167.6	62.6	0	0	108.3	S17 L18 L20 F68 L81 L86 Y94 V117	S17-M83 CarbonylContact C-O 3.45Å; S17-M83 WeakPolarHBondContact CA-O 3.23Å; S17-M83 VanDerWaalsContact CB-O 3.29Å; S17-M83 WeakPolarHBondContact CB-O 3.25Å; L18-M83 PolarHBondContact N-O 2.98Å; L18-M83 PolarHBondContact O-N 2.83Å; L20-M83 HydrophobicContact CD1-SD 3.57Å; L20-M83 VanDerWaalsContact CD1-SD 3.57Å; L20-M83 HydrophobicContact CD2-SD 4.33Å; L20-M83 HydrophobicContact CG-SD 3.59Å; L20-M83 VanDerWaalsContact CG-SD 3.59Å; F68-M83 HydrophobicContact CD1-CB 3.93Å; F68-M83 HydrophobicContact CD1-CG 4.14Å; F68-M83 HydrophobicContact CD2-CG 3.88Å; F68-M83 HydrophobicContact CE1-CB 3.77Å; F68-M83 HydrophobicContact CE1-CG 4.1Å; F68-M83 HydrophobicContact CE2-CB 4.38Å; F68-M83 HydrophobicContact CE2-CE 3.83Å; F68-M83 HydrophobicContact CE2-CG 3.81Å; F68-M83 HydrophobicContact CE2-SD 4.38Å; F68-M83 HydrophobicContact CG-CB 4.35Å; F68-M83 HydrophobicContact CG-CG 4.07Å; F68-M83 HydrophobicContact CZ-CB 4.02Å; F68-M83 HydrophobicContact CZ-CE 3.73Å; F68-M83 HydrophobicContact CZ-CG 3.94Å; L81-M83 HydrophobicContact CD2-CG 3.93Å; L81-M83 HydrophobicContact CD2-SD 4.02Å; L81-M83 HydrophobicContact CG-CG 3.87Å; L81-M83 HydrophobicContact CG-SD 4.48Å; L81-M83 PolarHBondContact O-N 3.33Å; M83-L86 HydrophobicContact CB-CD1 4.3Å; M83-L86 HydrophobicContact CB-CD2 4.09Å; M83-L86 HydrophobicContact CB-CG 4.25Å; M83-L86 HydrophobicContact CE-CD1 4.47Å; M83-L86 HydrophobicContact CE-CD2 3.48Å; M83-L86 VanDerWaalsContact CE-CD2 3.48Å; M83-Y94 HydrophobicContact CE-CE1 3.9Å; M83-Y94 HydrophobicContact CE-CE2 3.97Å; M83-Y94 HydrophobicContact SD-CE1 4.38Å; M83-V117 HydrophobicContact CE-CB 4.48Å; M83-V117 HydrophobicContact CE-CG1 4.05Å; M83-V117 HydrophobicContact CE-CG2 4.16Å
84	N	98.4	Very high	97	Very high	53 Å²	53	47 Å²	47	28%	0.283	25%	0.247	S	C	.	.			trans	-98.7	155.2	178	-56.4	-49.9	0	0	0	111.6	S17 R67 Q82 L86	S17-N84 WeakPolarHBondContact OG-CA 3.44Å; S17-N84 PolarHBondContact OG-OD1 3.23Å; R67-N84 VanDerWaalsContact O-CB 3.3Å; R67-N84 WeakPolarHBondContact O-CB 3.42Å; R67-N84 PolarHBondContact O-N 3.04Å; Q82-N84 PolarHBondContact NE2-OD1 2.92Å; N84-L86 VanDerWaalsContact C-N 3.35Å; N84-L86 PolarHBondContact O-N 3.32Å
85	S	97.8	Very high	97.3	Very high	65 Å²	65	45.7 Å²	45.7	46%	0.455	24%	0.238	S	C	.	.	S	Bend	trans	50.6	54.6	175	-54.5	0	0	0	0	111.8	R67	R67-S85 PolarHBondContact NH1-O 2.8Å
86	L	98.4	Very high	97.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.203	C	C	.	.			trans	-63.3	142.7	-176.9	-82.7	166.2	0	0	0	111.9	V12 G15 R16 L18 F68 M83 N84 D90 V119	V12-L86 HydrophobicContact CG2-CD1 3.64Å; G15-L86 PolarHBondContact N-O 2.9Å; R16-L86 WeakPolarHBondContact O-CB 3.43Å; R16-L86 PolarHBondContact O-N 3.13Å; L18-L86 HydrophobicContact CB-CD1 4.01Å; L18-L86 HydrophobicContact CD1-CD1 4.06Å; L18-L86 HydrophobicContact CG-CD1 4.01Å; F68-L86 HydrophobicContact CE1-CD2 3.93Å; F68-L86 HydrophobicContact CZ-CD2 3.74Å; M83-L86 HydrophobicContact CB-CD1 4.3Å; M83-L86 HydrophobicContact CB-CD2 4.09Å; M83-L86 HydrophobicContact CB-CG 4.25Å; M83-L86 HydrophobicContact CE-CD1 4.47Å; M83-L86 HydrophobicContact CE-CD2 3.48Å; M83-L86 VanDerWaalsContact CE-CD2 3.48Å; N84-L86 VanDerWaalsContact C-N 3.35Å; N84-L86 PolarHBondContact O-N 3.32Å; L86-D90 HydrophobicContact CD2-CB 3.63Å; L86-V119 HydrophobicContact CB-CG1 4.33Å; L86-V119 HydrophobicContact CB-CG2 3.92Å; L86-V119 HydrophobicContact CD1-CG2 4.48Å; L86-V119 HydrophobicContact CD2-CG2 4.24Å; L86-V119 HydrophobicContact CG-CG2 4.45Å
87	R	98.1	Very high	97.7	Very high	132 Å²	132	34.9 Å²	34.9	50%	0.498	18%	0.177	S	C	.	.			trans	-120.4	157.8	179.8	-52.4	176.7	178	168.2	-2.6	110.3	E89 D90 V119	R87-E89 WeakPolarHBondContact CB-OE2 3.3Å; R87-E89 PolarHBondContact O-N 2.85Å; R87-E89 VanDerWaalsContact O-N 3.09Å; R87-D90 PolarHBondContact N-OD2 2.8Å; R87-D90 WeakPolarHBondContact O-CB 3.44Å; R87-D90 PolarHBondContact O-N 2.99Å; R87-V119 WeakPolarHBondContact O-CB 3.43Å; R87-V119 WeakPolarHBondContact O-CG2 3.22Å
88	P	97.8	Very high	97.7	Very high	68 Å²	68	33.2 Å²	33.2	44%	0.442	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-49.8	-35.4	176	-29.6	37.9	0	0	0	113.7	P14 D90 T91	P14-P88 HydrophobicContact CG-CG 4.4Å; P88-D90 PolarHBondContact O-N 2.75Å; P88-T91 VanDerWaalsContact O-CB 3.26Å; P88-T91 WeakPolarHBondContact O-CB 3.34Å; P88-T91 PolarHBondContact O-N 2.9Å; P88-T91 PolarHBondContact O-OG1 3.35Å
89	E	97.2	Very high	97.2	Very high	130 Å²	130	32.9 Å²	32.9	61%	0.607	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-70.5	-11.2	179.5	-51.4	75	-154.1	0	0	113.7	R87 T91	R87-E89 WeakPolarHBondContact CB-OE2 3.3Å; R87-E89 PolarHBondContact O-N 2.85Å; R87-E89 VanDerWaalsContact O-N 3.09Å; E89-T91 VanDerWaalsContact C-N 3.26Å
90	D	98.3	Very high	96.3	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-84.7	0.5	172.1	-59.3	-48	0	0	0	112.5	R38 R67 F68 L86 R87 P88 A92 Y94 V119	R38-D90 IonicContact NH1-OD1 2.95Å; R38-D90 PolarHBondContact NH1-OD1 3.35Å; R67-D90 IonicContact CZ-OD1 2.66Å; R67-D90 IonicContact CZ-OD2 2.99Å; R67-D90 IonicContact NH1-OD1 3.56Å; R67-D90 IonicContact NH1-OD2 3.95Å; R67-D90 PolarHBondContact NH1-OD2 3.12Å; R67-D90 IonicContact NH2-OD1 3.95Å; R67-D90 PolarHBondContact NH2-OD1 3.25Å; R67-D90 IonicContact NH2-OD2 2.69Å; R67-D90 PolarHBondContact NH2-OD2 3.42Å; R67-D90 VanDerWaalsContact NH2-OD2 3.13Å; F68-D90 HydrophobicContact CZ-CB 4.29Å; L86-D90 HydrophobicContact CD2-CB 3.63Å; R87-D90 PolarHBondContact N-OD2 2.8Å; R87-D90 WeakPolarHBondContact O-CB 3.44Å; R87-D90 PolarHBondContact O-N 2.99Å; P88-D90 PolarHBondContact O-N 2.75Å; D90-A92 PolarHBondContact O-N 3.47Å; D90-Y94 WeakPolarHBondContact O-CE2 3.28Å; D90-Y94 PolarHBondContact O-OH 3.3Å; D90-V119 HydrophobicContact CB-CG2 4.49Å
91	T	98.6	Very high	94.7	Very high	37 Å²	37	41.8 Å²	41.8	23%	0.227	20%	0.204	C	C	.	.			trans	-66.9	113.7	173.2	-62	0	0	0	0	110.7	P88 E89 V117 T118 V119	P88-T91 VanDerWaalsContact O-CB 3.26Å; P88-T91 WeakPolarHBondContact O-CB 3.34Å; P88-T91 PolarHBondContact O-N 2.9Å; P88-T91 PolarHBondContact O-OG1 3.35Å; E89-T91 VanDerWaalsContact C-N 3.26Å; T91-V117 VanDerWaalsContact CA-O 3.32Å; T91-V117 WeakPolarHBondContact CA-O 3.22Å; T91-T118 HydrophobicContact CG2-CG2 4.36Å; T91-V119 PolarHBondContact OG1-N 2.72Å
92	A	98.6	Very high	92.9	Very high	4 Å²	4	46 Å²	46	3%	0.033	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	167.7	-176.9	0	0	0	0	0	111.4	R38 Q39 A40 D90 Y94 V117	R38-A92 HydrophobicContact CB-CB 3.87Å; R38-A92 HydrophobicContact CG-CB 4.22Å; Q39-A92 WeakPolarHBondContact O-CA 3.17Å; Q39-A92 WeakPolarHBondContact O-CB 3.29Å; A40-A92 HydrophobicContact CB-CB 4.39Å; D90-A92 PolarHBondContact O-N 3.47Å; A92-Y94 HydrophobicContact CB-CD2 4.19Å; A92-Y94 HydrophobicContact CB-CE2 3.79Å; A92-Y94 WeakPolarHBondContact O-CD2 3.5Å; A92-V117 PolarHBondContact N-O 3.24Å; A92-V117 PolarHBondContact O-N 2.93Å
93	V	98.8	Very high	90.7	Very high	39 Å²	39	51.1 Å²	51.1	24%	0.236	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.9	158.8	-173	0	0	0	0	108.1	R38 Q39 Y95	R38-V93 CarbonylContact C-O 3.41Å; R38-V93 WeakPolarHBondContact CA-O 3.29Å; Q39-V93 PolarHBondContact N-O 2.8Å; Q39-V93 PolarHBondContact O-N 2.83Å; V93-Y95 HydrophobicContact CB-CE2 3.87Å; V93-Y95 HydrophobicContact CG1-CD1 4.41Å; V93-Y95 HydrophobicContact CG1-CD2 4.42Å; V93-Y95 HydrophobicContact CG1-CE1 3.73Å; V93-Y95 HydrophobicContact CG1-CE2 3.75Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.2Å
94	Y	98.7	Very high	88.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.8	179.9	-76.6	-104	0	0	0	109.9	L20 V37 R38 V48 F68 L81 M83 D90 A92 G114 T115 V117	L20-Y94 HydrophobicContact CD1-CD1 3.9Å; L20-Y94 HydrophobicContact CD1-CD2 4.37Å; L20-Y94 HydrophobicContact CD1-CG 3.7Å; V37-Y94 CarbonylContact O-C 3.58Å; V37-Y94 WeakPolarHBondContact O-CA 3.39Å; R38-Y94 HydrophobicContact CB-CD1 3.92Å; R38-Y94 HydrophobicContact CB-CD2 4.37Å; R38-Y94 HydrophobicContact CB-CE1 3.9Å; R38-Y94 HydrophobicContact CB-CE2 4.32Å; R38-Y94 HydrophobicContact CB-CG 4.16Å; R38-Y94 PolarHBondContact NH1-OH 3.49Å; V48-Y94 HydrophobicContact CG1-CE1 4.36Å; V48-Y94 HydrophobicContact CG2-CD1 4.4Å; V48-Y94 HydrophobicContact CG2-CE1 4.02Å; F68-Y94 HydrophobicContact CE2-CE1 4.36Å; L81-Y94 HydrophobicContact CD2-CD1 4.34Å; L81-Y94 HydrophobicContact CD2-CE1 4.38Å; M83-Y94 HydrophobicContact CE-CE1 3.9Å; M83-Y94 HydrophobicContact CE-CE2 3.97Å; M83-Y94 HydrophobicContact SD-CE1 4.38Å; D90-Y94 WeakPolarHBondContact O-CE2 3.28Å; D90-Y94 PolarHBondContact O-OH 3.3Å; A92-Y94 HydrophobicContact CB-CD2 4.19Å; A92-Y94 HydrophobicContact CB-CE2 3.79Å; A92-Y94 WeakPolarHBondContact O-CD2 3.5Å; Y94-G114 CarbonylContact O-C 3.57Å; Y94-G114 WeakPolarHBondContact O-CA 3.22Å; Y94-T115 PolarHBondContact N-O 3.49Å; Y94-T115 PolarHBondContact O-N 2.92Å; Y94-V117 HydrophobicContact CD2-CB 3.94Å; Y94-V117 HydrophobicContact CD2-CG2 3.8Å; Y94-V117 HydrophobicContact CE2-CB 3.81Å; Y94-V117 HydrophobicContact CE2-CG1 4.49Å; Y94-V117 HydrophobicContact CE2-CG2 4.04Å
95	Y	98.5	Very high	86.2	Confident	42 Å²	42	67.5 Å²	67.5	17%	0.165	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143	-178.9	-54	-86.7	0	0	0	110.7	E6 W36 V37 Q39 L45 V93 W111 Q113 G114	E6-Y95 WeakPolarHBondContact OE1-CA 3.32Å; W36-Y95 WeakPolarHBondContact CA-O 3.45Å; V37-Y95 PolarHBondContact N-O 3.06Å; V37-Y95 PolarHBondContact O-N 3.37Å; Q39-Y95 HydrophobicContact CB-CE2 3.89Å; L45-Y95 HydrophobicContact CD2-CD2 4.13Å; L45-Y95 HydrophobicContact CD2-CE2 4.14Å; V93-Y95 HydrophobicContact CB-CE2 3.87Å; V93-Y95 HydrophobicContact CG1-CD1 4.41Å; V93-Y95 HydrophobicContact CG1-CD2 4.42Å; V93-Y95 HydrophobicContact CG1-CE1 3.73Å; V93-Y95 HydrophobicContact CG1-CE2 3.75Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.2Å; Y95-W111 HydrophobicContact CG-CE3 4.4Å; Y95-Q113 WeakPolarHBondContact CE1-O 3.39Å; Y95-G114 VanDerWaalsContact CD1-CA 3.47Å
96	C	96.3	Very high	84.2	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.1	168.4	-172.6	0	0	0	0	109.1	V4 E6 C22 I34 H35 W36 G112	V4-C96 HydrophobicContact CG2-CB 4.14Å; V4-C96 WeakPolarHBondContact CG2-O 3.33Å; E6-C96 HydrophobicContact CG-CB 3.77Å; E6-C96 WeakPolarHBondContact OE1-CB 3.44Å; E6-C96 PolarHBondContact OE1-N 3.32Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.05Å; C22-C96 WeakPolarHBondContact SG-CB 3.15Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.09Å; I34-C96 WeakPolarHBondContact CG2-SG 3.23Å; H35-C96 VanDerWaalsContact O-CA 3.32Å; H35-C96 WeakPolarHBondContact O-CA 3.2Å; W36-C96 HydrophobicContact CH2-CB 4.42Å; W36-C96 HydrophobicContact CZ3-CB 4.34Å; C96-G112 PolarHBondContact O-N 3.39Å
97	A	95.4	Very high	82.8	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.6	-179.3	0	0	0	0	0	112.5	I34 H35 M108 V110 W111	I34-A97 WeakPolarHBondContact CA-O 3.43Å; H35-A97 HydrophobicContact CB-CB 4.48Å; H35-A97 PolarHBondContact N-O 3.26Å; H35-A97 PolarHBondContact O-N 3.25Å; A97-M108 HydrophobicContact CB-CB 4.13Å; A97-M108 HydrophobicContact CB-CG 4.12Å; A97-M108 HydrophobicContact CB-SD 3.41Å; A97-M108 WeakPolarHBondContact CB-SD 3.39Å; A97-V110 CarbonylContact C-O 3.49Å; A97-V110 WeakPolarHBondContact CA-O 3.26Å; A97-W111 HydrophobicContact CB-CD2 3.7Å; A97-W111 HydrophobicContact CB-CE3 3.89Å; A97-W111 HydrophobicContact CB-CG 4.18Å; A97-W111 HydrophobicContact CB-CH2 4.32Å; A97-W111 HydrophobicContact CB-CZ2 4.17Å; A97-W111 HydrophobicContact CB-CZ3 4.19Å
98	R	93	Very high	82.1	Confident	21 Å²	21	70.6 Å²	70.6	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.7	177.5	-173.2	-179	74.3	178.2	2	111.2	F27 Y32 I34 M108 D109 V110	F27-R98 HydrophobicContact CE2-CG 4.18Å; F27-R98 HydrophobicContact CZ-CG 4.36Å; Y32-R98 HydrophobicContact CD1-CG 3.75Å; Y32-R98 HydrophobicContact CD2-CG 4.49Å; Y32-R98 HydrophobicContact CG-CG 3.71Å; I34-R98 HydrophobicContact CD1-CB 4.2Å; I34-R98 HydrophobicContact CD1-CG 4.06Å; R98-M108 VanDerWaalsContact O-CA 3.23Å; R98-M108 WeakPolarHBondContact O-CA 3.28Å; R98-D109 IonicContact CZ-OD1 2.83Å; R98-D109 IonicContact CZ-OD2 3.18Å; R98-D109 IonicContact NE-OD1 3.47Å; R98-D109 PolarHBondContact NE-OD1 3.07Å; R98-D109 IonicContact NE-OD2 3.41Å; R98-D109 IonicContact NH2-OD1 3.13Å; R98-D109 PolarHBondContact NH2-OD1 2.99Å; R98-D109 IonicContact NH2-OD2 3.69Å; R98-D109 PolarHBondContact NH2-OD2 2.79Å; R98-D109 PolarHBondContact O-N 3.25Å; R98-V110 HydrophobicContact CB-CB 3.92Å; R98-V110 HydrophobicContact CB-CG2 4.43Å; R98-V110 VanDerWaalsContact CZ-CG2 3.44Å; R98-V110 PolarHBondContact N-O 3.15Å
99	G	87.2	Confident	81.6	Confident	2 Å²	2	71 Å²	71	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.7	172.6	0	0	0	0	0	112.9	A33	A33-G99 PolarHBondContact N-O 2.59Å; A33-G99 PolarHBondContact O-N 3.42Å
100	R	76.4	Confident	81.4	Confident	155 Å²	155	65.6 Å²	65.6	59%	0.585	31%	0.309	S	S	*	.			trans	-88.6	143.4	172.5	-88	-178	172.9	-168.1	-2.9	111.5	Y32	Y32-R100 HydrophobicContact CD1-CG 4.22Å; Y32-R100 HydrophobicContact CE1-CG 3.93Å
101	L	66.2	Low	81.3	Confident	70 Å²	70	70.1 Å²	70.1	37%	0.366	33%	0.325	S	S	.	.	S	Bend	trans	-76.1	160.3	-176.4	-64.5	169.3	0	0	0	114.1	Y53	Y53-L101 HydrophobicContact CD1-CD1 3.35Å; Y53-L101 HydrophobicContact CD1-CD2 3.31Å; Y53-L101 HydrophobicContact CD1-CG 3.93Å; Y53-L101 HydrophobicContact CD2-CD1 4.13Å; Y53-L101 HydrophobicContact CE1-CD1 3.75Å; Y53-L101 HydrophobicContact CE1-CD2 4.01Å; Y53-L101 HydrophobicContact CE2-CD1 4.48Å; Y53-L101 HydrophobicContact CG-CD1 3.53Å; Y53-L101 HydrophobicContact CG-CD2 4.04Å; Y53-L101 HydrophobicContact CG-CG 4.32Å
102	P	60.3	Low	81.2	Confident	89 Å²	89	68.7 Å²	68.7	58%	0.578	32%	0.318	S	S	*	.	S	Bend	cis	-119.9	147	-23	23.5	-2.5	0	0	0	112.4	Y104	P102-Y104 PolarHBondContact O-N 3.04Å
103	Y	53	Low	81.2	Confident	162 Å²	162	77 Å²	77	64%	0.635	36%	0.356	S	S	*	.	S	Bend	trans	89.1	-43.8	151.6	-96.2	-98.8	0	0	0	120.6
104	Y	47.3	Very low	81.1	Confident	177 Å²	177	76.2 Å²	76.2	69%	0.694	36%	0.356	S	S	*	.	S	Bend	trans	-150.4	111.6	-178.3	-64.1	-78.4	0	0	0	111.9	P102	P102-Y104 PolarHBondContact O-N 3.04Å
105	Y	54.8	Low	81.1	Confident	221 Å²	221	77.1 Å²	77.1	87%	0.867	36%	0.361	S	S	*	.			trans	65.1	61.8	169	-61.2	-84	0	0	0	118.7
106	Y	55.1	Low	81.1	Confident	162 Å²	162	78.8 Å²	78.8	64%	0.635	38%	0.376	S	S	*	.			trans	-122.3	119.7	155.6	-64	-77	0	0	0	109
107	G	68.8	Low	81.3	Confident	63 Å²	63	78.8 Å²	78.8	65%	0.649	38%	0.376	S	S	*	.			trans	-53	153.9	-167.4	0	0	0	0	0	114.5	D109	G107-D109 PolarHBondContact O-N 3.2Å
108	M	84.4	Confident	81.4	Confident	38 Å²	38	80.9 Å²	80.9	19%	0.187	39%	0.389	C	S	.	.			trans	-77	116	171.5	-64.2	177	-170.5	0	0	109.2	H35 V37 W47 A97 R98 W111	H35-M108 HydrophobicContact CB-CE 3.8Å; H35-M108 HydrophobicContact CB-SD 4.42Å; H35-M108 VanDerWaalsContact CG-CE 3.46Å; V37-M108 HydrophobicContact CG2-CE 4.14Å; V37-M108 HydrophobicContact CG2-SD 4.27Å; W47-M108 HydrophobicContact CZ2-CE 3.76Å; A97-M108 HydrophobicContact CB-CB 4.13Å; A97-M108 HydrophobicContact CB-CG 4.12Å; A97-M108 HydrophobicContact CB-SD 3.41Å; A97-M108 WeakPolarHBondContact CB-SD 3.39Å; R98-M108 VanDerWaalsContact O-CA 3.23Å; R98-M108 WeakPolarHBondContact O-CA 3.28Å; M108-W111 HydrophobicContact CB-CZ2 3.86Å; M108-W111 VanDerWaalsContact CB-NE1 3.31Å; M108-W111 HydrophobicContact CG-CZ2 4.19Å; M108-W111 PolarHBondContact O-NE1 3.32Å; M108-W111 HydrophobicContact SD-CH2 3.66Å; M108-W111 HydrophobicContact SD-CZ2 3.23Å; M108-W111 WeakPolarHBondContact SD-CZ2 3.47Å
109	D	87.8	Confident	81.6	Confident	77 Å²	77	80.2 Å²	80.2	41%	0.412	39%	0.387	S	S	.	.			trans	-100.8	-14.1	-171.1	64.2	-11	0	0	0	113.9	R98 G107	R98-D109 IonicContact CZ-OD1 2.83Å; R98-D109 IonicContact CZ-OD2 3.18Å; R98-D109 IonicContact NE-OD1 3.47Å; R98-D109 PolarHBondContact NE-OD1 3.07Å; R98-D109 IonicContact NE-OD2 3.41Å; R98-D109 IonicContact NH2-OD1 3.13Å; R98-D109 PolarHBondContact NH2-OD1 2.99Å; R98-D109 IonicContact NH2-OD2 3.69Å; R98-D109 PolarHBondContact NH2-OD2 2.79Å; R98-D109 PolarHBondContact O-N 3.25Å; G107-D109 PolarHBondContact O-N 3.2Å
110	V	92.8	Very high	82.1	Confident	16 Å²	16	82.6 Å²	82.6	10%	0.097	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	122.9	177.6	-176.4	0	0	0	0	108.6	V2 V4 A97 R98	V2-V110 HydrophobicContact CG1-CG1 4.17Å; V2-V110 HydrophobicContact CG1-CG2 3.56Å; V4-V110 HydrophobicContact CG1-CG1 4.31Å; V4-V110 HydrophobicContact CG2-CG1 4.34Å; A97-V110 CarbonylContact C-O 3.49Å; A97-V110 WeakPolarHBondContact CA-O 3.26Å; R98-V110 HydrophobicContact CB-CB 3.92Å; R98-V110 HydrophobicContact CB-CG2 4.43Å; R98-V110 VanDerWaalsContact CZ-CG2 3.44Å; R98-V110 PolarHBondContact N-O 3.15Å
111	W	95.9	Very high	82.6	Confident	97 Å²	97	82.4 Å²	82.4	37%	0.367	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.6	177	-70.4	74.6	0	0	0	109.7	V37 L45 Y95 A97 M108	V37-W111 HydrophobicContact CB-CH2 4.14Å; V37-W111 HydrophobicContact CB-CZ3 3.91Å; V37-W111 HydrophobicContact CG1-CH2 4.04Å; V37-W111 HydrophobicContact CG1-CZ3 4.03Å; V37-W111 HydrophobicContact CG2-CH2 3.92Å; V37-W111 HydrophobicContact CG2-CZ3 4.08Å; L45-W111 HydrophobicContact CD1-CH2 4.01Å; L45-W111 HydrophobicContact CD1-CZ3 4.35Å; L45-W111 HydrophobicContact CD2-CZ3 4.37Å; Y95-W111 HydrophobicContact CG-CE3 4.4Å; A97-W111 HydrophobicContact CB-CD2 3.7Å; A97-W111 HydrophobicContact CB-CE3 3.89Å; A97-W111 HydrophobicContact CB-CG 4.18Å; A97-W111 HydrophobicContact CB-CH2 4.32Å; A97-W111 HydrophobicContact CB-CZ2 4.17Å; A97-W111 HydrophobicContact CB-CZ3 4.19Å; M108-W111 HydrophobicContact CB-CZ2 3.86Å; M108-W111 VanDerWaalsContact CB-NE1 3.31Å; M108-W111 HydrophobicContact CG-CZ2 4.19Å; M108-W111 PolarHBondContact O-NE1 3.32Å; M108-W111 HydrophobicContact SD-CH2 3.66Å; M108-W111 HydrophobicContact SD-CZ2 3.23Å; M108-W111 WeakPolarHBondContact SD-CZ2 3.47Å
112	G	96.8	Very high	83.4	Confident	7 Å²	7	83.1 Å²	83.1	7%	0.072	43%	0.429	C	S	.	.			trans	-81.9	173	167.9	0	0	0	0	0	111.6	V4 E6 C96 G114	V4-G112 VanDerWaalsContact O-CA 3.29Å; V4-G112 WeakPolarHBondContact O-CA 3.36Å; E6-G112 WeakPolarHBondContact OE1-CA 3.4Å; E6-G112 WeakPolarHBondContact OE2-CA 3.3Å; C96-G112 PolarHBondContact O-N 3.39Å; G112-G114 PolarHBondContact O-N 2.66Å
113	Q	97.3	Very high	84.6	Confident	179 Å²	179	82.7 Å²	82.7	84%	0.836	42%	0.421	S	S	*	.			trans	-76.5	-13.6	179.7	-63.5	-62	-49.3	0	0	112	E6 Y95	E6-Q113 PolarHBondContact OE2-N 3.28Å; Y95-Q113 WeakPolarHBondContact CE1-O 3.39Å
114	G	98.1	Very high	86.4	Confident	22 Å²	22	78.3 Å²	78.3	23%	0.227	41%	0.41	C	S	.	.			trans	87.6	160.1	178.7	0	0	0	0	0	113.4	E6 Y94 Y95 G112	E6-G114 PolarHBondContact OE2-N 3.13Å; Y94-G114 CarbonylContact O-C 3.57Å; Y94-G114 WeakPolarHBondContact O-CA 3.22Å; Y95-G114 VanDerWaalsContact CD1-CA 3.47Å; G112-G114 PolarHBondContact O-N 2.66Å
115	T	98.6	Very high	88.7	Confident	19 Å²	19	72.5 Å²	72.5	12%	0.117	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.2	175.3	-175.4	0	0	0	0	109.7	E6 G9 L20 Y94	E6-T115 HydrophobicContact CB-CG2 3.84Å; G9-T115 VanDerWaalsContact CA-OG1 3.28Å; G9-T115 WeakPolarHBondContact CA-OG1 3.15Å; G9-T115 PolarHBondContact N-OG1 2.9Å; L20-T115 HydrophobicContact CD1-CG2 4.05Å; L20-T115 HydrophobicContact CD2-CG2 3.94Å; L20-T115 HydrophobicContact CG-CG2 4.48Å; Y94-T115 PolarHBondContact N-O 3.49Å; Y94-T115 PolarHBondContact O-N 2.92Å
116	T	98.6	Very high	90.8	Very high	77 Å²	77	63.3 Å²	63.3	47%	0.472	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.1	-178.5	-59	0	0	0	0	110.5	G9 G10	G9-T116 CarbonylContact C-O 3.53Å; G9-T116 VanDerWaalsContact CA-O 3.22Å; G9-T116 WeakPolarHBondContact CA-O 3.39Å; G10-T116 PolarHBondContact N-O 2.92Å
117	V	98.7	Very high	93.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.7	167.2	174.2	0	0	0	0	107.8	L18 L20 M83 T91 A92 Y94 V119	L18-V117 HydrophobicContact CD1-CG1 3.9Å; L18-V117 HydrophobicContact CD1-CG2 4.31Å; L20-V117 HydrophobicContact CD1-CG2 4.26Å; L20-V117 HydrophobicContact CD2-CG2 3.87Å; M83-V117 HydrophobicContact CE-CB 4.48Å; M83-V117 HydrophobicContact CE-CG1 4.05Å; M83-V117 HydrophobicContact CE-CG2 4.16Å; T91-V117 VanDerWaalsContact CA-O 3.32Å; T91-V117 WeakPolarHBondContact CA-O 3.22Å; A92-V117 PolarHBondContact N-O 3.24Å; A92-V117 PolarHBondContact O-N 2.93Å; Y94-V117 HydrophobicContact CD2-CB 3.94Å; Y94-V117 HydrophobicContact CD2-CG2 3.8Å; Y94-V117 HydrophobicContact CE2-CB 3.81Å; Y94-V117 HydrophobicContact CE2-CG1 4.49Å; Y94-V117 HydrophobicContact CE2-CG2 4.04Å; V117-V119 HydrophobicContact CG1-CG2 4.25Å
118	T	98.4	Very high	94.9	Very high	44 Å²	44	56.2 Å²	56.2	27%	0.27	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.6	176.8	-55.5	0	0	0	0	109.2	G10 V11 V12 T91	G10-T118 PolarHBondContact O-N 2.55Å; V11-T118 CarbonylContact C-O 3.53Å; V11-T118 WeakPolarHBondContact CA-O 3.27Å; V11-T118 HydrophobicContact CG1-CG2 4.42Å; V12-T118 PolarHBondContact N-O 2.99Å; T91-T118 HydrophobicContact CG2-CG2 4.36Å
119	V	98.1	Very high	95.7	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.042	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	102	177.2	-172.3	0	0	0	0	108.9	V12 P14 L86 R87 D90 T91 V117	V12-V119 HydrophobicContact CG2-CG2 4.24Å; V12-V119 CarbonylContact O-C 3.6Å; V12-V119 VanDerWaalsContact O-CA 3.27Å; V12-V119 WeakPolarHBondContact O-CA 3.33Å; P14-V119 HydrophobicContact CB-CG1 4.32Å; P14-V119 HydrophobicContact CG-CG1 4.06Å; L86-V119 HydrophobicContact CB-CG1 4.33Å; L86-V119 HydrophobicContact CB-CG2 3.92Å; L86-V119 HydrophobicContact CD1-CG2 4.48Å; L86-V119 HydrophobicContact CD2-CG2 4.24Å; L86-V119 HydrophobicContact CG-CG2 4.45Å; R87-V119 WeakPolarHBondContact O-CB 3.43Å; R87-V119 WeakPolarHBondContact O-CG2 3.22Å; D90-V119 HydrophobicContact CB-CG2 4.49Å; T91-V119 PolarHBondContact OG1-N 2.72Å; V117-V119 HydrophobicContact CG1-CG2 4.25Å
120	S	95.8	Very high	96.4	Very high	52 Å²	52	56 Å²	56	36%	0.364	33%	0.327	S	S	.	.			trans	-143.9	149.5	-175.1	59	0	0	0	0	111.4	V11 V12 Q13	V11-S120 WeakPolarHBondContact CG1-OG 3.34Å; V12-S120 PolarHBondContact O-N 3.3Å; Q13-S120 WeakPolarHBondContact CA-O 3.21Å
121	S	87.4	Confident	96.7	Very high	152 Å²	152	59.6 Å²	59.6	100%	1.063	35%	0.348	S	S	*	.			trans	-73.8	0	174.9	57.2	0	0	0	0	112.6

Retrieved 121 of 121 residues in 204.7 ms (Link to these results)

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