A0A075B7E8_HUMAN Loading...

Immunoglobulin heavy variable 3/OR16-13 (non-functional)

AlphaFold DB , UniProt , Accession A0A075B7E8, Species HUMAN (Homo sapiens, Human), Gene IGHV3OR16-13, Length 117 aa.

						>A0A075B7E8_HUMAN|A0A075B7E8|IGHV3OR16-13
MEFGLSWVFLVAILKGVQCEVQLVESGGGLVQPGGSLRLSCAASGFTFSSYWMHWVRQAPGKGLVWVSRINSDGSSTSYADSMKGQFTISRDNAKNTLYLQMNSLRAEDMAVYYCTR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.5	Very low	59.4	Low	232 Å²	232	136.2 Å²	136.2	100%	1.143	70%	0.7	S	S	*	*				0	55.9	0	-170.9	167.3	51.8	0	0	108.9
2	E	57.6	Low	59.6	Low	163 Å²	163	130.2 Å²	130.2	76%	0.762	69%	0.685	S	S	*	*			trans	-121.3	-14.6	-174.8	-67.9	-137.7	141	0	0	113.7	G4 L5	E2-G4 PolarHBondContact O-N 2.91Å; E2-L5 PolarHBondContact O-N 3.48Å
3	F	56.5	Low	59.7	Low	194 Å²	194	130.9 Å²	130.9	85%	0.851	69%	0.688	S	S	*	*	H	α-helix	trans	-68.4	-20	-177.4	-58.2	-71	0	0	0	113.9
4	G	57.3	Low	59.7	Low	55 Å²	55	132.2 Å²	132.2	57%	0.567	69%	0.694	S	S	*	*	H	α-helix	trans	-74.7	-35.3	178.3	0	0	0	0	0	114	E2	E2-G4 PolarHBondContact O-N 2.91Å
5	L	60.3	Low	59.6	Low	115 Å²	115	136.1 Å²	136.1	60%	0.602	70%	0.703	S	S	*	*	H	α-helix	trans	-69.3	-40.2	-179.1	-103	92.5	0	0	0	111.7	E2 W7 V8 F9	E2-L5 PolarHBondContact O-N 3.48Å; L5-W7 PolarHBondContact O-N 3.35Å; L5-V8 PolarHBondContact O-N 3.23Å; L5-V8 VanDerWaalsContact O-N 3.14Å; L5-F9 HydrophobicContact CB-CD2 4.39Å; L5-F9 HydrophobicContact CB-CE2 4.06Å; L5-F9 HydrophobicContact CD2-CE2 3.76Å; L5-F9 HydrophobicContact CD2-CZ 4.25Å; L5-F9 HydrophobicContact CG-CE2 4.32Å; L5-F9 WeakPolarHBondContact O-CD2 3.41Å; L5-F9 PolarHBondContact O-N 2.98Å; L5-F9 VanDerWaalsContact O-N 3.12Å
6	S	62.7	Low	59.7	Low	75 Å²	75	130.9 Å²	130.9	52%	0.524	69%	0.693	S	S	.	*	H	α-helix	trans	-57.7	-36.9	-178.2	-171.4	0	0	0	0	112.6	F9 L10	S6-F9 PolarHBondContact O-N 2.82Å; S6-L10 PolarHBondContact O-N 3.2Å
7	W	60.2	Low	60	Low	206 Å²	206	130.8 Å²	130.8	78%	0.78	70%	0.699	S	S	*	*	H	α-helix	trans	-72.3	-35.6	-179.9	-143.8	-3.6	0	0	0	112.7	L5 L10 V11	L5-W7 PolarHBondContact O-N 3.35Å; W7-L10 PolarHBondContact O-N 2.9Å; W7-V11 PolarHBondContact O-N 3.41Å
8	V	63.6	Low	59.9	Low	108 Å²	108	132.2 Å²	132.2	66%	0.655	70%	0.701	S	S	*	*	H	α-helix	trans	-66.7	-38.1	175.5	-178.1	0	0	0	0	111	L5 L10 V11	L5-V8 PolarHBondContact O-N 3.23Å; L5-V8 VanDerWaalsContact O-N 3.14Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 3.14Å; V8-V11 PolarHBondContact O-N 3.17Å
9	F	60.9	Low	60.5	Low	132 Å²	132	131.3 Å²	131.3	58%	0.579	71%	0.705	S	S	*	*	H	α-helix	trans	-63.2	-36.9	175.4	-75	-69.4	0	0	0	112.8	L5 S6 V11 A12 I13	L5-F9 HydrophobicContact CB-CD2 4.39Å; L5-F9 HydrophobicContact CB-CE2 4.06Å; L5-F9 HydrophobicContact CD2-CE2 3.76Å; L5-F9 HydrophobicContact CD2-CZ 4.25Å; L5-F9 HydrophobicContact CG-CE2 4.32Å; L5-F9 WeakPolarHBondContact O-CD2 3.41Å; L5-F9 PolarHBondContact O-N 2.98Å; L5-F9 VanDerWaalsContact O-N 3.12Å; S6-F9 PolarHBondContact O-N 2.82Å; F9-V11 PolarHBondContact O-N 2.97Å; F9-A12 PolarHBondContact O-N 3.22Å; F9-I13 WeakPolarHBondContact O-CG1 3.43Å
10	L	60.8	Low	61.9	Low	108 Å²	108	132.1 Å²	132.1	57%	0.565	70%	0.704	S	S	*	*	H	α-helix	trans	-65.1	-35.8	179.4	-107.9	150.4	0	0	0	113.4	S6 W7 V8 A12	S6-L10 PolarHBondContact O-N 3.2Å; W7-L10 PolarHBondContact O-N 2.9Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 3.14Å; L10-A12 VanDerWaalsContact C-N 3.28Å; L10-A12 PolarHBondContact O-N 3.27Å
11	V	63.8	Low	63.3	Low	110 Å²	110	129.2 Å²	129.2	67%	0.667	69%	0.691	S	S	*	*	H	α-helix	trans	-69.8	-27.5	176.8	-177.5	0	0	0	0	111.4	W7 V8 F9	W7-V11 PolarHBondContact O-N 3.41Å; V8-V11 PolarHBondContact O-N 3.17Å; F9-V11 PolarHBondContact O-N 2.97Å
12	A	62.1	Low	65.5	Low	64 Å²	64	122.6 Å²	122.6	53%	0.529	66%	0.657	S	S	.	*	H	α-helix	trans	-76.8	-25.2	-176.5	0	0	0	0	0	114.6	F9 L10 L14	F9-A12 PolarHBondContact O-N 3.22Å; L10-A12 VanDerWaalsContact C-N 3.28Å; L10-A12 PolarHBondContact O-N 3.27Å; A12-L14 VanDerWaalsContact C-N 3.33Å; A12-L14 PolarHBondContact O-N 2.92Å
13	I	61.2	Low	67.4	Low	140 Å²	140	116.9 Å²	116.9	72%	0.718	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-17.9	-175.2	-55.7	164.4	0	0	0	111.9	F9 K15	F9-I13 WeakPolarHBondContact O-CG1 3.43Å; I13-K15 VanDerWaalsContact C-N 3.26Å; I13-K15 PolarHBondContact O-N 2.95Å
14	L	59.1	Low	69.4	Low	149 Å²	149	110.7 Å²	110.7	78%	0.78	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	23.3	179.1	-76.2	162.9	0	0	0	114.1	A12 G16	A12-L14 VanDerWaalsContact C-N 3.33Å; A12-L14 PolarHBondContact O-N 2.92Å; L14-G16 PolarHBondContact O-N 3.26Å
15	K	58.4	Low	71.3	Confident	190 Å²	190	111.5 Å²	111.5	83%	0.826	60%	0.598	S	S	*	*			trans	-71.8	70.3	156.9	-66.6	-160.2	179.2	-173.3	0	108.2	I13 V17	I13-K15 VanDerWaalsContact C-N 3.26Å; I13-K15 PolarHBondContact O-N 2.95Å; K15-V17 PolarHBondContact O-N 3.24Å
16	G	61	Low	73.1	Confident	53 Å²	53	109 Å²	109	55%	0.546	59%	0.591	S	S	.	*			trans	-49.6	137.1	178	0	0	0	0	0	110.1	L14 Q18	L14-G16 PolarHBondContact O-N 3.26Å; G16-Q18 PolarHBondContact O-N 3.12Å
17	V	64.8	Low	74.7	Confident	130 Å²	130	107.5 Å²	107.5	79%	0.788	59%	0.587	S	S	*	*			trans	-53.4	107	173.5	174.4	0	0	0	0	107.7	K15 C19	K15-V17 PolarHBondContact O-N 3.24Å; V17-C19 HydrophobicContact CG1-CB 4.41Å; V17-C19 VanDerWaalsContact CG1-SG 3.54Å; V17-C19 PolarHBondContact O-N 3.44Å
18	Q	58.9	Low	76.3	Confident	156 Å²	156	100.5 Å²	100.5	73%	0.729	58%	0.578	S	S	*	*			trans	-77.9	79.6	173.9	-61.8	-148	-39	0	0	108.2	G16 E20	G16-Q18 PolarHBondContact O-N 3.12Å; Q18-E20 PolarHBondContact O-N 3.45Å
19	C	70	Confident	77.7	Confident	115 Å²	115	98.2 Å²	98.2	78%	0.777	58%	0.577	S	S	*	*			trans	-79.8	32.9	165.7	-86.1	0	0	0	0	111.4	V17	V17-C19 HydrophobicContact CG1-CB 4.41Å; V17-C19 VanDerWaalsContact CG1-SG 3.54Å; V17-C19 PolarHBondContact O-N 3.44Å
20	E	88.7	Confident	79.2	Confident	147 Å²	147	100.2 Å²	100.2	69%	0.687	59%	0.593	S	S	*	*	S	Bend	trans	-95.1	142.1	176.8	-169.2	169	-169.9	0	0	109.7	Q18 Q22	Q18-E20 PolarHBondContact O-N 3.45Å; E20-Q22 PolarHBondContact O-N 3.43Å
21	V	92.1	Very high	80.7	Confident	71 Å²	71	97.8 Å²	97.8	43%	0.43	58%	0.582	S	S	.	*			trans	-67	122.9	173.3	169.7	0	0	0	0	108.4	F46	V21-F46 HydrophobicContact CG1-CD1 3.77Å; V21-F46 HydrophobicContact CG1-CE1 4.04Å; V21-F46 HydrophobicContact CG2-CB 4.4Å; V21-F46 HydrophobicContact CG2-CD1 4.34Å
22	Q	95.5	Very high	82.1	Confident	93 Å²	93	100.4 Å²	100.4	44%	0.435	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.4	139.9	179.2	-153.5	-176.6	9.2	0	0	111.1	E20 V24 A43 S44	E20-Q22 PolarHBondContact O-N 3.43Å; Q22-V24 VanDerWaalsContact CD-CG2 3.49Å; Q22-V24 HydrophobicContact CG-CG2 3.68Å; Q22-A43 WeakPolarHBondContact O-CA 3.33Å; Q22-S44 VanDerWaalsContact CB-OG 3.31Å; Q22-S44 WeakPolarHBondContact CB-OG 3.45Å; Q22-S44 PolarHBondContact N-O 2.89Å; Q22-S44 PolarHBondContact O-N 2.82Å
23	L	97.9	Very high	83.5	Confident	44 Å²	44	102.8 Å²	102.8	23%	0.23	60%	0.597	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.9	122.8	169.1	-66.6	-179.4	0	0	0	106.4	A42 A43 F46 M53 C115	L23-A42 WeakPolarHBondContact CA-O 3.49Å; L23-A43 HydrophobicContact CD2-CB 3.65Å; L23-F46 HydrophobicContact CD2-CE1 3.95Å; L23-F46 HydrophobicContact CD2-CZ 4.04Å; L23-M53 HydrophobicContact CD1-CE 4.48Å; L23-M53 HydrophobicContact CD2-CE 3.91Å; L23-C115 VanDerWaalsContact CD1-O 3.29Å; L23-C115 WeakPolarHBondContact CD1-O 3.47Å
24	V	97.9	Very high	85.1	Confident	63 Å²	63	98.6 Å²	98.6	38%	0.382	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.6	103.5	-174.4	-174.5	0	0	0	0	109.9	Q22 C41 A42	Q22-V24 VanDerWaalsContact CD-CG2 3.49Å; Q22-V24 HydrophobicContact CG-CG2 3.68Å; V24-C41 WeakPolarHBondContact O-CA 3.45Å; V24-A42 PolarHBondContact N-O 2.83Å; V24-A42 PolarHBondContact O-N 2.91Å
25	E	98.4	Very high	86.8	Confident	72 Å²	72	92.7 Å²	92.7	34%	0.336	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.1	142.2	178.2	-60.2	86.3	167.9	0	0	112.6	S40 C41 W55 Y114 C115	E25-S40 CarbonylContact C-O 3.43Å; E25-S40 WeakPolarHBondContact CA-O 3.38Å; E25-C41 HydrophobicContact CG-CB 4.4Å; E25-W55 HydrophobicContact CG-CH2 4.05Å; E25-W55 HydrophobicContact CG-CZ3 3.87Å; E25-Y114 WeakPolarHBondContact OE1-CA 3.4Å; E25-C115 PolarHBondContact OE1-N 2.73Å; E25-C115 PolarHBondContact OE1-SG 3.04Å
26	S	97.9	Very high	88.6	Confident	64 Å²	64	86.8 Å²	86.8	45%	0.448	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	172.4	-179.3	59.2	0	0	0	0	111.5	G28 L39 S40	S26-G28 VanDerWaalsContact C-N 3.34Å; S26-L39 WeakPolarHBondContact O-CA 2.99Å; S26-S40 PolarHBondContact N-O 3.44Å; S26-S40 PolarHBondContact O-N 2.95Å; S26-S40 PolarHBondContact OG-O 3.21Å
27	G	95.7	Very high	90.3	Very high	43 Å²	43	85.4 Å²	85.4	44%	0.443	53%	0.526	S	S	.	.			trans	86.2	0.2	179.6	0	0	0	0	0	114.8	L37	G27-L37 WeakPolarHBondContact O-CD1 3.35Å; G27-L37 VanDerWaalsContact O-CD2 3.26Å; G27-L37 WeakPolarHBondContact O-CD2 3.47Å; G27-L37 WeakPolarHBondContact O-CG 3.05Å
28	G	92.7	Very high	91.9	Very high	58 Å²	58	85 Å²	85	60%	0.598	51%	0.511	S	S	*	.			trans	-64.3	166.5	171.9	0	0	0	0	0	112.9	S26	S26-G28 VanDerWaalsContact C-N 3.34Å
29	G	93.2	Very high	93.7	Very high	60 Å²	60	78.2 Å²	78.2	62%	0.619	48%	0.479	S	S	*	.			trans	163.3	170.2	-179.6	0	0	0	0	0	111.9
30	L	92.2	Very high	95.1	Very high	175 Å²	175	74 Å²	74	92%	0.916	45%	0.451	S	S	*	.			trans	-83.5	126.6	172.6	-174.8	65.7	0	0	0	109.2
31	V	93.3	Very high	95.6	Very high	56 Å²	56	67 Å²	67	34%	0.339	42%	0.418	S	S	.	.			trans	-126.3	152	173.7	-62.6	0	0	0	0	109.7	L37 L105	V31-L37 HydrophobicContact CG1-CB 4.37Å; V31-L37 HydrophobicContact CG1-CD1 3.82Å; V31-L105 HydrophobicContact CG2-CB 4.35Å; V31-L105 HydrophobicContact CG2-CD1 3.52Å
32	Q	92.1	Very high	95.9	Very high	165 Å²	165	65.8 Å²	65.8	77%	0.771	42%	0.416	S	S	*	.			trans	-67.7	150	173.8	-64.7	-178.6	8.6	0	0	110.2	G34 G35	Q32-G34 PolarHBondContact O-N 3.24Å; Q32-G35 WeakPolarHBondContact O-CA 3.26Å; Q32-G35 PolarHBondContact O-N 3.35Å
33	P	92.7	Very high	96	Very high	114 Å²	114	61.7 Å²	61.7	74%	0.74	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	139.6	171.8	-26.1	34.8	0	0	0	111.9	G35 L105	P33-G35 PolarHBondContact O-N 3.29Å; P33-L105 CarbonylContact C-O 3.59Å; P33-L105 WeakPolarHBondContact CA-O 3.31Å
34	G	94.5	Very high	95.9	Very high	53 Å²	53	62 Å²	62	55%	0.546	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-10.5	-172.5	0	0	0	0	0	114.2	Q32 L105	Q32-G34 PolarHBondContact O-N 3.24Å; G34-L105 PolarHBondContact N-O 3.01Å
35	G	95.6	Very high	95.7	Very high	24 Å²	24	61.2 Å²	61.2	25%	0.247	41%	0.409	C	S	.	.			trans	-66.7	175.5	173.1	0	0	0	0	0	113.2	Q32 P33 S104 L105	Q32-G35 WeakPolarHBondContact O-CA 3.26Å; Q32-G35 PolarHBondContact O-N 3.35Å; P33-G35 PolarHBondContact O-N 3.29Å; G35-S104 PolarHBondContact O-N 3.48Å; G35-S104 VanDerWaalsContact O-N 3.17Å; G35-L105 PolarHBondContact O-N 2.94Å
36	S	95.9	Very high	95.5	Very high	67 Å²	67	59.4 Å²	59.4	47%	0.469	40%	0.4	S	S	.	.			trans	-129	149.9	178.2	-56.8	0	0	0	0	110.3	M102	S36-M102 CarbonylContact C-O 3.49Å; S36-M102 WeakPolarHBondContact CA-O 3.35Å; S36-M102 WeakPolarHBondContact CB-O 3.41Å
37	L	96.3	Very high	95.4	Very high	23 Å²	23	60.4 Å²	60.4	12%	0.12	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.8	179.8	-173	138.2	0	0	0	109.6	G27 V31 L39 M102 L105	G27-L37 WeakPolarHBondContact O-CD1 3.35Å; G27-L37 VanDerWaalsContact O-CD2 3.26Å; G27-L37 WeakPolarHBondContact O-CD2 3.47Å; G27-L37 WeakPolarHBondContact O-CG 3.05Å; V31-L37 HydrophobicContact CG1-CB 4.37Å; V31-L37 HydrophobicContact CG1-CD1 3.82Å; L37-L39 HydrophobicContact CD2-CD2 3.35Å; L37-L39 HydrophobicContact CD2-CG 3.69Å; L37-M102 HydrophobicContact CB-CE 4.11Å; L37-M102 HydrophobicContact CD2-CE 3.35Å; L37-M102 HydrophobicContact CG-CE 4.35Å; L37-M102 PolarHBondContact N-O 3.19Å; L37-M102 PolarHBondContact O-N 3.28Å; L37-L105 HydrophobicContact CB-CD1 3.79Å
38	R	97.7	Very high	95.5	Very high	122 Å²	122	58.4 Å²	58.4	46%	0.46	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111	176.3	-175.7	179.2	175.6	179.5	2.1	109.8	Y99 L100	R38-Y99 VanDerWaalsContact NE-CD1 3.32Å; R38-Y99 VanDerWaalsContact NH2-CD1 3.25Å; R38-Y99 VanDerWaalsContact NH2-CD2 3.26Å; R38-Y99 VanDerWaalsContact NH2-CE1 3.3Å; R38-Y99 VanDerWaalsContact NH2-CE2 3.31Å; R38-Y99 VanDerWaalsContact NH2-CZ 3.34Å; R38-L100 WeakPolarHBondContact CA-O 3.16Å
39	L	98.5	Very high	95.7	Very high	13 Å²	13	58.1 Å²	58.1	7%	0.068	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	148.6	169.2	-57.8	175.9	0	0	0	110.1	S26 L37 W55 Y99 L100 M102 Y113	S26-L39 WeakPolarHBondContact O-CA 2.99Å; L37-L39 HydrophobicContact CD2-CD2 3.35Å; L37-L39 HydrophobicContact CD2-CG 3.69Å; L39-W55 HydrophobicContact CB-CH2 3.89Å; L39-W55 HydrophobicContact CB-CZ2 4.13Å; L39-W55 HydrophobicContact CB-CZ3 4.44Å; L39-W55 HydrophobicContact CD1-CZ3 4.3Å; L39-Y99 VanDerWaalsContact O-CA 3.29Å; L39-Y99 WeakPolarHBondContact O-CA 3.38Å; L39-L100 HydrophobicContact CB-CB 4.18Å; L39-L100 HydrophobicContact CD1-CD2 4.26Å; L39-L100 PolarHBondContact N-O 2.89Å; L39-L100 PolarHBondContact O-N 3.06Å; L39-M102 HydrophobicContact CD1-CE 3.77Å; L39-M102 HydrophobicContact CD1-SD 4.22Å; L39-M102 HydrophobicContact CD2-CE 4.36Å; L39-M102 HydrophobicContact CG-CE 3.73Å; L39-Y113 VanDerWaalsContact CD1-CB 3.42Å; L39-Y113 HydrophobicContact CD1-CD1 3.82Å; L39-Y113 HydrophobicContact CD1-CD2 4Å; L39-Y113 HydrophobicContact CD1-CG 3.49Å; L39-Y113 VanDerWaalsContact CD1-CG 3.49Å
40	S	98.7	Very high	95.9	Very high	26 Å²	26	59.1 Å²	59.1	18%	0.182	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.2	174.2	-52	0	0	0	0	109.2	E25 S26 L98 Y99	E25-S40 CarbonylContact C-O 3.43Å; E25-S40 WeakPolarHBondContact CA-O 3.38Å; S26-S40 PolarHBondContact N-O 3.44Å; S26-S40 PolarHBondContact O-N 2.95Å; S26-S40 PolarHBondContact OG-O 3.21Å; S40-L98 CarbonylContact C-O 3.6Å; S40-L98 VanDerWaalsContact CA-O 3.3Å; S40-L98 WeakPolarHBondContact CA-O 3.45Å; S40-Y99 VanDerWaalsContact OG-CD1 3.3Å; S40-Y99 WeakPolarHBondContact OG-CD1 3.28Å; S40-Y99 WeakPolarHBondContact OG-CE1 3.28Å
41	C	98.7	Very high	96.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	112.6	174.5	159.8	0	0	0	0	109.3	V24 E25 W55 T97 L98 C115	V24-C41 WeakPolarHBondContact O-CA 3.45Å; E25-C41 HydrophobicContact CG-CB 4.4Å; C41-W55 HydrophobicContact CB-CH2 3.7Å; C41-W55 HydrophobicContact CB-CZ2 3.76Å; C41-T97 CarbonylContact O-C 3.48Å; C41-T97 VanDerWaalsContact O-CA 3.32Å; C41-T97 WeakPolarHBondContact O-CA 3.39Å; C41-L98 HydrophobicContact CB-CB 4.16Å; C41-L98 PolarHBondContact N-O 3.29Å; C41-L98 PolarHBondContact O-N 3.5Å; C41-C115 HydrophobicContact CB-CB 3.43Å; C41-C115 VanDerWaalsContact CB-CB 3.43Å; C41-C115 WeakPolarHBondContact CB-SG 3.42Å; C41-C115 WeakPolarHBondContact SG-CB 3.17Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 2.84Å
42	A	98.3	Very high	96.3	Very high	47 Å²	47	57.3 Å²	57.3	39%	0.388	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.8	176	0	0	0	0	0	109.7	L23 V24	L23-A42 WeakPolarHBondContact CA-O 3.49Å; V24-A42 PolarHBondContact N-O 2.83Å; V24-A42 PolarHBondContact O-N 2.91Å
43	A	97.9	Very high	96.7	Very high	7 Å²	7	49.5 Å²	49.5	6%	0.058	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136	-178.5	0	0	0	0	0	111.8	Q22 L23 F46 F48 N96	Q22-A43 WeakPolarHBondContact O-CA 3.33Å; L23-A43 HydrophobicContact CD2-CB 3.65Å; A43-F46 HydrophobicContact CB-CE1 3.85Å; A43-F46 HydrophobicContact CB-CZ 3.77Å; A43-F48 HydrophobicContact CB-CB 4.49Å; A43-F48 HydrophobicContact CB-CD2 3.48Å; A43-F48 VanDerWaalsContact CB-CD2 3.48Å; A43-F48 HydrophobicContact CB-CE2 4.02Å; A43-F48 HydrophobicContact CB-CG 4.28Å; A43-N96 PolarHBondContact N-O 2.93Å; A43-N96 VanDerWaalsContact O-CB 3.31Å; A43-N96 WeakPolarHBondContact O-CB 3.26Å
44	S	96	Very high	96.9	Very high	50 Å²	50	46 Å²	46	35%	0.35	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	167.3	176	66.1	0	0	0	0	111.3	Q22 F46	Q22-S44 VanDerWaalsContact CB-OG 3.31Å; Q22-S44 WeakPolarHBondContact CB-OG 3.45Å; Q22-S44 PolarHBondContact N-O 2.89Å; Q22-S44 PolarHBondContact O-N 2.82Å; S44-F46 VanDerWaalsContact C-N 3.29Å; S44-F46 VanDerWaalsContact O-CD1 3.29Å; S44-F46 WeakPolarHBondContact O-CD1 3.19Å; S44-F46 PolarHBondContact O-N 3.22Å
45	G	94.4	Very high	97.1	Very high	47 Å²	47	43.5 Å²	43.5	49%	0.485	26%	0.256	S	S	.	.	S	Bend	trans	78.9	4.7	-178.6	0	0	0	0	0	115.3
46	F	94.3	Very high	97.3	Very high	33 Å²	33	43.4 Å²	43.4	15%	0.145	25%	0.25	C	S	.	.	S	Bend	trans	-155.9	166.7	172.4	68.3	-78.5	0	0	0	111.9	V21 L23 A43 S44 F48 Y51 M53 R117	V21-F46 HydrophobicContact CG1-CD1 3.77Å; V21-F46 HydrophobicContact CG1-CE1 4.04Å; V21-F46 HydrophobicContact CG2-CB 4.4Å; V21-F46 HydrophobicContact CG2-CD1 4.34Å; L23-F46 HydrophobicContact CD2-CE1 3.95Å; L23-F46 HydrophobicContact CD2-CZ 4.04Å; A43-F46 HydrophobicContact CB-CE1 3.85Å; A43-F46 HydrophobicContact CB-CZ 3.77Å; S44-F46 VanDerWaalsContact C-N 3.29Å; S44-F46 VanDerWaalsContact O-CD1 3.29Å; S44-F46 WeakPolarHBondContact O-CD1 3.19Å; S44-F46 PolarHBondContact O-N 3.22Å; F46-F48 HydrophobicContact CE2-CB 4.38Å; F46-F48 HydrophobicContact CE2-CD2 4.41Å; F46-F48 HydrophobicContact CZ-CD2 4.28Å; F46-F48 PolarHBondContact O-N 3.21Å; F46-Y51 AromaticContact CD2-CD2 3.59Å; F46-Y51 HydrophobicContact CD2-CD2 3.59Å; F46-Y51 AromaticContact CD2-CE2 3.85Å; F46-Y51 HydrophobicContact CD2-CE2 3.85Å; F46-Y51 HydrophobicContact CD2-CG 4.46Å; F46-Y51 AromaticContact CE2-CD2 3.97Å; F46-Y51 HydrophobicContact CE2-CD2 3.97Å; F46-Y51 HydrophobicContact CE2-CG 4.49Å; F46-M53 HydrophobicContact CE2-SD 4.28Å; F46-M53 HydrophobicContact CZ-CE 4.49Å; F46-M53 HydrophobicContact CZ-SD 4.17Å; F46-R117 VanDerWaalsContact CD2-CD 3.44Å; F46-R117 HydrophobicContact CE2-CG 3.92Å; F46-R117 HydrophobicContact CZ-CB 4.41Å; F46-R117 HydrophobicContact CZ-CG 4.28Å
47	T	95.8	Very high	97.3	Very high	85 Å²	85	41.8 Å²	41.8	52%	0.521	23%	0.234	S	C	.	.			trans	-74.1	90.9	174	-49.8	0	0	0	0	110.3	S49 S50 Y51	T47-S49 PolarHBondContact O-N 2.78Å; T47-S49 VanDerWaalsContact O-N 3.15Å; T47-S50 WeakPolarHBondContact CB-OG 3.38Å; T47-S50 WeakPolarHBondContact CG2-OG 3.47Å; T47-S50 WeakPolarHBondContact O-CB 3.33Å; T47-S50 PolarHBondContact O-N 2.79Å; T47-Y51 WeakPolarHBondContact O-CD2 3.36Å
48	F	96.7	Very high	97.4	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-49.6	-40.9	-177.6	176.9	-107.5	0	0	0	113.7	A43 F46 S50 Y51 M53 R91 N93 N96 L98	A43-F48 HydrophobicContact CB-CB 4.49Å; A43-F48 HydrophobicContact CB-CD2 3.48Å; A43-F48 VanDerWaalsContact CB-CD2 3.48Å; A43-F48 HydrophobicContact CB-CE2 4.02Å; A43-F48 HydrophobicContact CB-CG 4.28Å; F46-F48 HydrophobicContact CE2-CB 4.38Å; F46-F48 HydrophobicContact CE2-CD2 4.41Å; F46-F48 HydrophobicContact CZ-CD2 4.28Å; F46-F48 PolarHBondContact O-N 3.21Å; F48-S50 PolarHBondContact O-N 3.04Å; F48-Y51 PolarHBondContact O-N 3.42Å; F48-M53 HydrophobicContact CD2-CE 4.44Å; F48-M53 HydrophobicContact CD2-CG 4.12Å; F48-M53 HydrophobicContact CD2-SD 4.03Å; F48-M53 HydrophobicContact CE2-CE 4.04Å; F48-M53 HydrophobicContact CE2-CG 3.57Å; F48-M53 HydrophobicContact CE2-SD 3.91Å; F48-M53 HydrophobicContact CZ-CG 4.14Å; F48-R91 HydrophobicContact CE1-CB 4.26Å; F48-R91 HydrophobicContact CZ-CB 4.18Å; F48-R91 PolarHBondContact O-NH2 2.87Å; F48-N93 VanDerWaalsContact CD1-OD1 3.3Å; F48-N93 WeakPolarHBondContact CD1-OD1 3.46Å; F48-N93 VanDerWaalsContact CE1-OD1 3.28Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.32Å; F48-N96 HydrophobicContact CB-CB 3.97Å; F48-N96 WeakPolarHBondContact CB-OD1 3.31Å; F48-N96 HydrophobicContact CD1-CB 4.3Å; F48-N96 HydrophobicContact CG-CB 4.13Å; F48-L98 HydrophobicContact CE2-CB 4.37Å; F48-L98 HydrophobicContact CZ-CB 4.24Å
49	S	97.1	Very high	97.3	Very high	53 Å²	53	39.7 Å²	39.7	37%	0.371	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-68.8	-12.9	178.9	56.9	0	0	0	0	114.6	T47 S72	T47-S49 PolarHBondContact O-N 2.78Å; T47-S49 VanDerWaalsContact O-N 3.15Å; S49-S72 WeakPolarHBondContact O-CB 3.26Å
50	S	96.7	Very high	97.2	Very high	81 Å²	81	43.9 Å²	43.9	57%	0.566	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-87.3	-4.5	179	-60	0	0	0	0	113.9	T47 F48	T47-S50 WeakPolarHBondContact CB-OG 3.38Å; T47-S50 WeakPolarHBondContact CG2-OG 3.47Å; T47-S50 WeakPolarHBondContact O-CB 3.33Å; T47-S50 PolarHBondContact O-N 2.79Å; F48-S50 PolarHBondContact O-N 3.04Å
51	Y	97.3	Very high	97.1	Very high	95 Å²	95	46.9 Å²	46.9	37%	0.373	30%	0.296	S	S	.	.	S	Bend	trans	-126.3	151.2	-173.5	-64.4	-92.6	0	0	0	112.8	F46 T47 F48 R91 R117	F46-Y51 AromaticContact CD2-CD2 3.59Å; F46-Y51 HydrophobicContact CD2-CD2 3.59Å; F46-Y51 AromaticContact CD2-CE2 3.85Å; F46-Y51 HydrophobicContact CD2-CE2 3.85Å; F46-Y51 HydrophobicContact CD2-CG 4.46Å; F46-Y51 AromaticContact CE2-CD2 3.97Å; F46-Y51 HydrophobicContact CE2-CD2 3.97Å; F46-Y51 HydrophobicContact CE2-CG 4.49Å; T47-Y51 WeakPolarHBondContact O-CD2 3.36Å; F48-Y51 PolarHBondContact O-N 3.42Å; Y51-R91 PolarHBondContact O-NH1 3.16Å; Y51-R117 VanDerWaalsContact CB-CG 3.47Å; Y51-R117 HydrophobicContact CD1-CG 3.66Å; Y51-R117 HydrophobicContact CD2-CG 4.24Å; Y51-R117 HydrophobicContact CE1-CG 4.45Å; Y51-R117 VanDerWaalsContact CG-CD 3.41Å; Y51-R117 HydrophobicContact CG-CG 3.53Å
52	W	98.2	Very high	96.9	Very high	98 Å²	98	53.7 Å²	53.7	37%	0.371	33%	0.326	S	S	.	.			trans	-66.8	149.8	159.5	-73.1	61.4	0	0	0	108.4	R69 I70 N71 R117	W52-R69 HydrophobicContact CE3-CB 4.31Å; W52-R69 HydrophobicContact CE3-CG 3.82Å; W52-R69 HydrophobicContact CZ3-CG 3.78Å; W52-I70 WeakPolarHBondContact CA-O 3.46Å; W52-N71 HydrophobicContact CD2-CB 3.72Å; W52-N71 HydrophobicContact CE3-CB 4Å; W52-N71 HydrophobicContact CG-CB 4.38Å; W52-N71 HydrophobicContact CH2-CB 3.76Å; W52-N71 HydrophobicContact CZ2-CB 3.45Å; W52-N71 VanDerWaalsContact CZ2-CB 3.45Å; W52-N71 HydrophobicContact CZ3-CB 4.01Å; W52-R117 VanDerWaalsContact O-OXT 3.13Å
53	M	98.5	Very high	96.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.1	178.6	-65.4	-61.3	-55	0	0	108.8	L23 F46 F48 R69 I70 L98 R117	L23-M53 HydrophobicContact CD1-CE 4.48Å; L23-M53 HydrophobicContact CD2-CE 3.91Å; F46-M53 HydrophobicContact CE2-SD 4.28Å; F46-M53 HydrophobicContact CZ-CE 4.49Å; F46-M53 HydrophobicContact CZ-SD 4.17Å; F48-M53 HydrophobicContact CD2-CE 4.44Å; F48-M53 HydrophobicContact CD2-CG 4.12Å; F48-M53 HydrophobicContact CD2-SD 4.03Å; F48-M53 HydrophobicContact CE2-CE 4.04Å; F48-M53 HydrophobicContact CE2-CG 3.57Å; F48-M53 HydrophobicContact CE2-SD 3.91Å; F48-M53 HydrophobicContact CZ-CG 4.14Å; M53-R69 CarbonylContact O-C 3.54Å; M53-R69 VanDerWaalsContact O-CA 3.24Å; M53-R69 WeakPolarHBondContact O-CA 3Å; M53-I70 HydrophobicContact CB-CG2 4.18Å; M53-I70 PolarHBondContact N-O 2.97Å; M53-I70 PolarHBondContact O-N 2.87Å; M53-L98 HydrophobicContact CB-CD1 3.66Å; M53-L98 HydrophobicContact CB-CD2 3.85Å; M53-L98 HydrophobicContact CB-CG 4.3Å; M53-L98 HydrophobicContact CE-CD2 4.48Å; M53-L98 HydrophobicContact CG-CD1 4.46Å; M53-R117 HydrophobicContact CE-CB 4.45Å; M53-R117 HydrophobicContact SD-CB 4.06Å; M53-R117 HydrophobicContact SD-CG 4.09Å
54	H	98.6	Very high	96.7	Very high	41 Å²	41	58.9 Å²	58.9	19%	0.19	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.2	-171.8	-63.1	-118.1	0	0	0	110.1	W66 S68 R69 C115 T116	H54-W66 AromaticContact ND1-CD1 3.87Å; H54-W66 AromaticContact ND1-NE1 3.2Å; H54-W66 PolarHBondContact ND1-NE1 2.91Å; H54-S68 VanDerWaalsContact CA-O 3.3Å; H54-S68 WeakPolarHBondContact CA-O 3.33Å; H54-R69 WeakPolarHBondContact ND1-CB 3.28Å; H54-C115 CarbonylContact O-C 3.45Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 2.96Å; H54-T116 WeakPolarHBondContact CB-OG1 3.34Å; H54-T116 PolarHBondContact N-O 3.2Å; H54-T116 PolarHBondContact O-N 3.46Å
55	W	98.6	Very high	96.8	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138	160.4	-77.2	101	0	0	0	109.2	E25 L39 C41 V67 S68 L98 L100 Y114 C115	E25-W55 HydrophobicContact CG-CH2 4.05Å; E25-W55 HydrophobicContact CG-CZ3 3.87Å; L39-W55 HydrophobicContact CB-CH2 3.89Å; L39-W55 HydrophobicContact CB-CZ2 4.13Å; L39-W55 HydrophobicContact CB-CZ3 4.44Å; L39-W55 HydrophobicContact CD1-CZ3 4.3Å; C41-W55 HydrophobicContact CB-CH2 3.7Å; C41-W55 HydrophobicContact CB-CZ2 3.76Å; W55-V67 HydrophobicContact CB-CB 3.94Å; W55-V67 HydrophobicContact CB-CG1 4.23Å; W55-V67 WeakPolarHBondContact O-CB 3.38Å; W55-V67 PolarHBondContact O-N 2.81Å; W55-S68 PolarHBondContact N-O 3.33Å; W55-S68 PolarHBondContact O-N 3.12Å; W55-L98 HydrophobicContact CD2-CD2 4.39Å; W55-L98 HydrophobicContact CG-CD2 4.36Å; W55-L98 HydrophobicContact CZ2-CD2 4.33Å; W55-L98 VanDerWaalsContact NE1-CD2 3.29Å; W55-L100 HydrophobicContact CB-CD2 4.32Å; W55-L100 HydrophobicContact CD2-CB 4.16Å; W55-L100 HydrophobicContact CD2-CD2 4.32Å; W55-L100 HydrophobicContact CG-CB 4.22Å; W55-L100 HydrophobicContact CG-CD1 4.34Å; W55-L100 HydrophobicContact CG-CD2 4.09Å; W55-L100 HydrophobicContact CG-CG 4.46Å; W55-L100 HydrophobicContact CZ2-CB 4.3Å; W55-Y114 WeakPolarHBondContact CA-O 3.39Å; W55-Y114 VanDerWaalsContact CE3-C 3.48Å; W55-C115 HydrophobicContact CD2-CB 4.32Å; W55-C115 HydrophobicContact CE3-CB 4.15Å; W55-C115 HydrophobicContact CH2-CB 4.1Å; W55-C115 HydrophobicContact CZ2-CB 4.26Å; W55-C115 HydrophobicContact CZ3-CB 4.03Å
56	V	98.2	Very high	96.9	Very high	22 Å²	22	61.4 Å²	61.4	13%	0.133	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.3	174.3	-176.5	0	0	0	0	107.1	L64 V65 Y113 Y114 T116	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.7Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; V56-V65 WeakPolarHBondContact CA-O 3.3Å; V56-V65 WeakPolarHBondContact CG1-O 3.29Å; V56-Y113 CarbonylContact O-C 3.58Å; V56-Y113 WeakPolarHBondContact O-CA 3.35Å; V56-Y114 PolarHBondContact N-O 2.91Å; V56-Y114 PolarHBondContact O-N 2.91Å; V56-T116 HydrophobicContact CG2-CG2 4.2Å
57	R	97	Very high	97.1	Very high	32 Å²	32	59.9 Å²	59.9	12%	0.121	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.8	176	76.5	176.9	-168.9	-176	-0.2	112.2	V65 V67 M83 D109 A111 V112 Y113	R57-V65 HydrophobicContact CG-CB 4.36Å; R57-V65 PolarHBondContact N-O 2.85Å; R57-V65 PolarHBondContact O-N 3.26Å; R57-V67 HydrophobicContact CB-CG2 3.8Å; R57-V67 HydrophobicContact CG-CG2 3.75Å; R57-M83 HydrophobicContact CG-CE 4.3Å; R57-D109 IonicContact CZ-OD1 3.95Å; R57-D109 IonicContact NH1-OD1 3.84Å; R57-D109 PolarHBondContact NH1-OD1 3.14Å; R57-D109 IonicContact NH2-OD1 2.73Å; R57-A111 HydrophobicContact CB-CB 3.94Å; R57-A111 HydrophobicContact CG-CB 4.2Å; R57-V112 CarbonylContact C-O 3.52Å; R57-V112 WeakPolarHBondContact CA-O 3.45Å; R57-Y113 HydrophobicContact CB-CD1 3.8Å; R57-Y113 HydrophobicContact CB-CD2 4.31Å; R57-Y113 HydrophobicContact CB-CE1 3.79Å; R57-Y113 HydrophobicContact CB-CE2 4.27Å; R57-Y113 HydrophobicContact CB-CG 4.07Å; R57-Y113 HydrophobicContact CG-CE1 4.44Å; R57-Y113 PolarHBondContact NH1-OH 2.79Å
58	Q	97.5	Very high	97.2	Very high	75 Å²	75	55.8 Å²	55.8	35%	0.35	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	110.4	173.7	-167.3	173.1	20.1	0	0	110	K62 L64 A111 V112 Y114	Q58-K62 WeakPolarHBondContact CG-O 3.3Å; Q58-K62 PolarHBondContact NE2-O 3.32Å; Q58-L64 HydrophobicContact CB-CD2 3.95Å; Q58-L64 HydrophobicContact CG-CD2 4.47Å; Q58-A111 WeakPolarHBondContact O-CA 3.49Å; Q58-A111 WeakPolarHBondContact O-CB 3.41Å; Q58-V112 PolarHBondContact N-O 3.25Å; Q58-V112 PolarHBondContact O-N 2.69Å; Q58-Y114 HydrophobicContact CB-CE2 4.14Å
59	A	96.2	Very high	97.3	Very high	27 Å²	27	60.6 Å²	60.6	22%	0.223	34%	0.338	C	S	.	.			trans	-76.7	152.4	171.8	0	0	0	0	0	110.4	G61 K62 A111	A59-G61 PolarHBondContact O-N 3.49Å; A59-K62 HydrophobicContact CB-CB 4.07Å; A59-K62 HydrophobicContact CB-CG 3.98Å; A59-K62 PolarHBondContact O-N 2.8Å; A59-A111 HydrophobicContact CB-CB 4.35Å
60	P	95.5	Very high	97.4	Very high	101 Å²	101	58.3 Å²	58.3	66%	0.656	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	126.4	178.2	-26.2	34.7	0	0	0	112.2	K62	P60-K62 PolarHBondContact O-N 3.12Å
61	G	96.6	Very high	97.4	Very high	88 Å²	88	55.2 Å²	55.2	91%	0.907	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	11.5	-178.7	0	0	0	0	0	115.1	A59	A59-G61 PolarHBondContact O-N 3.49Å
62	K	95.1	Very high	97.5	Very high	143 Å²	143	52.7 Å²	52.7	62%	0.622	30%	0.295	S	S	*	.	S	Bend	trans	-115.1	163.3	175.8	-57.1	-62.5	-176.7	-178.6	0	111.2	Q58 A59 P60	Q58-K62 WeakPolarHBondContact CG-O 3.3Å; Q58-K62 PolarHBondContact NE2-O 3.32Å; A59-K62 HydrophobicContact CB-CB 4.07Å; A59-K62 HydrophobicContact CB-CG 3.98Å; A59-K62 PolarHBondContact O-N 2.8Å; P60-K62 PolarHBondContact O-N 3.12Å
63	G	95.8	Very high	97.3	Very high	50 Å²	50	53 Å²	53	52%	0.515	30%	0.304	S	S	.	.			trans	-73	175	171.6	0	0	0	0	0	112.7
64	L	97.4	Very high	97.3	Very high	114 Å²	114	54.4 Å²	54.4	60%	0.597	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	135	171.2	-70.5	165.5	0	0	0	110.3	V56 Q58 Y114	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.7Å; V56-L64 HydrophobicContact CG1-CG 4.29Å; Q58-L64 HydrophobicContact CB-CD2 3.95Å; Q58-L64 HydrophobicContact CG-CD2 4.47Å; L64-Y114 HydrophobicContact CD2-CD2 4.18Å; L64-Y114 HydrophobicContact CD2-CE2 4.34Å
65	V	97	Very high	97.2	Very high	67 Å²	67	56.8 Å²	56.8	41%	0.406	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.9	177.1	178.4	0	0	0	0	108.4	V56 R57 M83	V56-V65 WeakPolarHBondContact CA-O 3.3Å; V56-V65 WeakPolarHBondContact CG1-O 3.29Å; R57-V65 HydrophobicContact CG-CB 4.36Å; R57-V65 PolarHBondContact N-O 2.85Å; R57-V65 PolarHBondContact O-N 3.26Å; V65-M83 HydrophobicContact CG1-CE 4.2Å
66	W	97.6	Very high	97.2	Very high	83 Å²	83	59.2 Å²	59.2	31%	0.314	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	138.1	175.3	179.7	73.7	0	0	0	110.8	H54 S68 R69 S78 A80	H54-W66 AromaticContact ND1-CD1 3.87Å; H54-W66 AromaticContact ND1-NE1 3.2Å; H54-W66 PolarHBondContact ND1-NE1 2.91Å; W66-S68 PolarHBondContact NE1-O 2.99Å; W66-S68 VanDerWaalsContact NE1-O 3.11Å; W66-R69 HydrophobicContact CZ2-CB 3.79Å; W66-R69 HydrophobicContact CZ2-CG 3.76Å; W66-S78 WeakPolarHBondContact CH2-O 3.29Å; W66-A80 HydrophobicContact CE3-CB 4Å; W66-A80 HydrophobicContact CZ3-CB 4.22Å; W66-A80 VanDerWaalsContact O-CB 3.26Å; W66-A80 WeakPolarHBondContact O-CB 3.31Å
67	V	97.8	Very high	97.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-57.3	-175.2	173.1	0	0	0	0	110.9	W55 R57 Y79 A80 M83 F87 L100 Y113	W55-V67 HydrophobicContact CB-CB 3.94Å; W55-V67 HydrophobicContact CB-CG1 4.23Å; W55-V67 WeakPolarHBondContact O-CB 3.38Å; W55-V67 PolarHBondContact O-N 2.81Å; R57-V67 HydrophobicContact CB-CG2 3.8Å; R57-V67 HydrophobicContact CG-CG2 3.75Å; V67-Y79 WeakPolarHBondContact O-CA 3.34Å; V67-A80 PolarHBondContact O-N 3.12Å; V67-M83 HydrophobicContact CB-SD 4Å; V67-M83 HydrophobicContact CG1-SD 3.58Å; V67-M83 VanDerWaalsContact CG1-SD 3.58Å; V67-M83 HydrophobicContact CG2-CE 3.96Å; V67-M83 HydrophobicContact CG2-SD 3.77Å; V67-F87 HydrophobicContact CG1-CD2 3.77Å; V67-F87 HydrophobicContact CG1-CE2 4.37Å; V67-L100 HydrophobicContact CG1-CD1 4.3Å; V67-L100 HydrophobicContact CG1-CD2 4.04Å; V67-Y113 HydrophobicContact CG2-CD1 4.36Å; V67-Y113 HydrophobicContact CG2-CE1 4.11Å
68	S	98.3	Very high	97.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	167	-176.4	58.8	0	0	0	0	111.7	H54 W55 W66 S78	H54-S68 VanDerWaalsContact CA-O 3.3Å; H54-S68 WeakPolarHBondContact CA-O 3.33Å; W55-S68 PolarHBondContact N-O 3.33Å; W55-S68 PolarHBondContact O-N 3.12Å; W66-S68 PolarHBondContact NE1-O 2.99Å; W66-S68 VanDerWaalsContact NE1-O 3.11Å; S68-S78 CarbonylContact C-O 3.57Å; S68-S78 WeakPolarHBondContact CA-O 3.32Å; S68-S78 VanDerWaalsContact CB-O 3.32Å; S68-S78 WeakPolarHBondContact CB-O 3.32Å
69	R	98.3	Very high	97.3	Very high	102 Å²	102	60.1 Å²	60.1	39%	0.385	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.4	172.1	74.9	-171.4	177.9	-168.4	-1.7	111.5	W52 M53 H54 W66 T77 S78	W52-R69 HydrophobicContact CE3-CB 4.31Å; W52-R69 HydrophobicContact CE3-CG 3.82Å; W52-R69 HydrophobicContact CZ3-CG 3.78Å; M53-R69 CarbonylContact O-C 3.54Å; M53-R69 VanDerWaalsContact O-CA 3.24Å; M53-R69 WeakPolarHBondContact O-CA 3Å; H54-R69 WeakPolarHBondContact ND1-CB 3.28Å; W66-R69 HydrophobicContact CZ2-CB 3.79Å; W66-R69 HydrophobicContact CZ2-CG 3.76Å; R69-T77 VanDerWaalsContact O-CA 3.28Å; R69-T77 WeakPolarHBondContact O-CA 3.43Å; R69-S78 PolarHBondContact N-O 2.76Å; R69-S78 PolarHBondContact O-N 2.98Å
70	I	98.7	Very high	97.3	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.4	174.5	-171	161.3	0	0	0	109.4	W52 M53 S76 T77 I89 R91 L98	W52-I70 WeakPolarHBondContact CA-O 3.46Å; M53-I70 HydrophobicContact CB-CG2 4.18Å; M53-I70 PolarHBondContact N-O 2.97Å; M53-I70 PolarHBondContact O-N 2.87Å; I70-S76 WeakPolarHBondContact CA-O 2.94Å; I70-T77 HydrophobicContact CB-CG2 4.13Å; I70-T77 HydrophobicContact CD1-CG2 3.83Å; I70-T77 HydrophobicContact CG1-CG2 3.8Å; I70-I89 HydrophobicContact CB-CD1 3.91Å; I70-I89 HydrophobicContact CB-CG1 4.19Å; I70-I89 HydrophobicContact CB-CG2 4.1Å; I70-I89 HydrophobicContact CG2-CD1 3.63Å; I70-I89 HydrophobicContact CG2-CG1 3.99Å; I70-R91 HydrophobicContact CD1-CB 4.31Å; I70-R91 HydrophobicContact CD1-CG 3.83Å; I70-R91 HydrophobicContact CG1-CG 4.35Å; I70-R91 HydrophobicContact CG2-CB 4.37Å; I70-L98 HydrophobicContact CG2-CD1 3.54Å
71	N	98	Very high	97.2	Very high	15 Å²	15	61.8 Å²	61.8	8%	0.08	37%	0.371	C	S	.	.			trans	-76.1	176.8	177.4	71.7	-24.6	0	0	0	112.5	W52 D73 G74 S75 S76 R91	W52-N71 HydrophobicContact CD2-CB 3.72Å; W52-N71 HydrophobicContact CE3-CB 4Å; W52-N71 HydrophobicContact CG-CB 4.38Å; W52-N71 HydrophobicContact CH2-CB 3.76Å; W52-N71 HydrophobicContact CZ2-CB 3.45Å; W52-N71 VanDerWaalsContact CZ2-CB 3.45Å; W52-N71 HydrophobicContact CZ3-CB 4.01Å; N71-D73 PolarHBondContact ND2-OD1 2.79Å; N71-D73 PolarHBondContact O-N 2.85Å; N71-D73 PolarHBondContact OD1-OD1 2.84Å; N71-G74 PolarHBondContact O-N 2.81Å; N71-G74 VanDerWaalsContact OD1-C 3.26Å; N71-G74 WeakPolarHBondContact OD1-CA 3.48Å; N71-G74 PolarHBondContact OD1-N 2.89Å; N71-G74 VanDerWaalsContact OD1-N 3.14Å; N71-S75 PolarHBondContact ND2-OG 3.45Å; N71-S75 PolarHBondContact OD1-N 3.21Å; N71-S76 PolarHBondContact N-O 2.87Å; N71-S76 VanDerWaalsContact N-O 3.08Å; N71-S76 PolarHBondContact OD1-N 3.03Å; N71-S76 PolarHBondContact OD1-O 2.84Å; N71-R91 WeakPolarHBondContact O-CD 3.35Å; N71-R91 PolarHBondContact O-NH1 2Å
72	S	97.8	Very high	96.9	Very high	43 Å²	43	61.9 Å²	61.9	30%	0.301	36%	0.357	S	S	.	.	S	Bend	trans	-56.1	-45.6	-173.6	36.8	0	0	0	0	114.9	S49 R91 N93	S49-S72 WeakPolarHBondContact O-CB 3.26Å; S72-R91 VanDerWaalsContact CA-NH1 3.31Å; S72-R91 VanDerWaalsContact O-CZ 3.24Å; S72-R91 PolarHBondContact O-NE 3.42Å; S72-N93 PolarHBondContact O-ND2 2.82Å
73	D	95.4	Very high	96.7	Very high	105 Å²	105	55.1 Å²	55.1	56%	0.561	33%	0.328	S	S	*	.	S	Bend	trans	-88.9	-10.5	-179.4	68.1	-7.5	0	0	0	113.1	N71 S75	N71-D73 PolarHBondContact ND2-OD1 2.79Å; N71-D73 PolarHBondContact O-N 2.85Å; N71-D73 PolarHBondContact OD1-OD1 2.84Å; D73-S75 WeakPolarHBondContact OD1-CB 3.44Å; D73-S75 PolarHBondContact OD1-N 2.93Å; D73-S75 PolarHBondContact OD1-OG 3.33Å; D73-S75 PolarHBondContact OD2-OG 2.73Å
74	G	97.4	Very high	96.4	Very high	29 Å²	29	59.9 Å²	59.9	30%	0.299	33%	0.334	S	S	.	.	S	Bend	trans	83.9	3.9	-177.8	0	0	0	0	0	115.2	N71	N71-G74 PolarHBondContact O-N 2.81Å; N71-G74 VanDerWaalsContact OD1-C 3.26Å; N71-G74 WeakPolarHBondContact OD1-CA 3.48Å; N71-G74 PolarHBondContact OD1-N 2.89Å; N71-G74 VanDerWaalsContact OD1-N 3.14Å
75	S	96.9	Very high	96.2	Very high	91 Å²	91	58.1 Å²	58.1	64%	0.636	34%	0.344	S	S	*	.			trans	-74.6	-21.6	-177.4	63.2	0	0	0	0	114.3	N71 D73	N71-S75 PolarHBondContact ND2-OG 3.45Å; N71-S75 PolarHBondContact OD1-N 3.21Å; D73-S75 WeakPolarHBondContact OD1-CB 3.44Å; D73-S75 PolarHBondContact OD1-N 2.93Å; D73-S75 PolarHBondContact OD1-OG 3.33Å; D73-S75 PolarHBondContact OD2-OG 2.73Å
76	S	98	Very high	96.1	Very high	52 Å²	52	56.1 Å²	56.1	36%	0.364	33%	0.33	S	S	.	.			trans	-125	128	-177.2	-170.3	0	0	0	0	111.5	I70 N71	I70-S76 WeakPolarHBondContact CA-O 2.94Å; N71-S76 PolarHBondContact N-O 2.87Å; N71-S76 VanDerWaalsContact N-O 3.08Å; N71-S76 PolarHBondContact OD1-N 3.03Å; N71-S76 PolarHBondContact OD1-O 2.84Å
77	T	98.3	Very high	96.1	Very high	62 Å²	62	52.3 Å²	52.3	38%	0.38	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.2	174.5	60.8	0	0	0	0	111.4	R69 I70 I89	R69-T77 VanDerWaalsContact O-CA 3.28Å; R69-T77 WeakPolarHBondContact O-CA 3.43Å; I70-T77 HydrophobicContact CB-CG2 4.13Å; I70-T77 HydrophobicContact CD1-CG2 3.83Å; I70-T77 HydrophobicContact CG1-CG2 3.8Å; T77-I89 HydrophobicContact CG2-CG2 3.7Å
78	S	98	Very high	96.1	Very high	43 Å²	43	55.5 Å²	55.5	30%	0.301	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	151.7	172.6	-174	0	0	0	0	109.5	W66 S68 R69	W66-S78 WeakPolarHBondContact CH2-O 3.29Å; S68-S78 CarbonylContact C-O 3.57Å; S68-S78 WeakPolarHBondContact CA-O 3.32Å; S68-S78 VanDerWaalsContact CB-O 3.32Å; S68-S78 WeakPolarHBondContact CB-O 3.32Å; R69-S78 PolarHBondContact N-O 2.76Å; R69-S78 PolarHBondContact O-N 2.98Å
79	Y	98.4	Very high	96.1	Very high	42 Å²	42	55.8 Å²	55.8	17%	0.165	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150	-172.4	-60.3	-90.6	0	0	0	110	V67 F87 I89	V67-Y79 WeakPolarHBondContact O-CA 3.34Å; Y79-F87 VanDerWaalsContact CE1-O 3.22Å; Y79-F87 WeakPolarHBondContact CE1-O 3.43Å; Y79-I89 HydrophobicContact CE1-CB 4.39Å; Y79-I89 HydrophobicContact CE1-CG2 4Å; Y79-I89 PolarHBondContact OH-N 2.77Å; Y79-I89 VanDerWaalsContact OH-N 3.12Å
80	A	96.6	Very high	96.1	Very high	16 Å²	16	53.1 Å²	53.1	13%	0.132	33%	0.334	C	S	.	.			trans	-64.1	142.5	165.5	0	0	0	0	0	110	W66 V67 S82 M83 K84	W66-A80 HydrophobicContact CE3-CB 4Å; W66-A80 HydrophobicContact CZ3-CB 4.22Å; W66-A80 VanDerWaalsContact O-CB 3.26Å; W66-A80 WeakPolarHBondContact O-CB 3.31Å; V67-A80 PolarHBondContact O-N 3.12Å; A80-S82 PolarHBondContact O-N 3.07Å; A80-S82 VanDerWaalsContact O-N 3.15Å; A80-M83 PolarHBondContact O-N 3.15Å; A80-K84 PolarHBondContact O-N 3.41Å; A80-K84 VanDerWaalsContact O-N 3.07Å
81	D	94.1	Very high	96.1	Very high	148 Å²	148	54.4 Å²	54.4	79%	0.791	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.7	-173.9	-67.3	-37	0	0	0	112.8	M83	D81-M83 VanDerWaalsContact C-N 3.27Å; D81-M83 PolarHBondContact O-N 3.08Å
82	S	90.3	Very high	96.1	Very high	89 Å²	89	55.6 Å²	55.6	62%	0.622	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.5	179.6	55.3	0	0	0	0	114.7	A80	A80-S82 PolarHBondContact O-N 3.07Å; A80-S82 VanDerWaalsContact O-N 3.15Å
83	M	89.9	Confident	96.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-2.5	-175.4	-59.5	179.5	-135.9	0	0	112.6	R57 V65 V67 A80 D81 G85 Q86 F87	R57-M83 HydrophobicContact CG-CE 4.3Å; V65-M83 HydrophobicContact CG1-CE 4.2Å; V67-M83 HydrophobicContact CB-SD 4Å; V67-M83 HydrophobicContact CG1-SD 3.58Å; V67-M83 VanDerWaalsContact CG1-SD 3.58Å; V67-M83 HydrophobicContact CG2-CE 3.96Å; V67-M83 HydrophobicContact CG2-SD 3.77Å; A80-M83 PolarHBondContact O-N 3.15Å; D81-M83 VanDerWaalsContact C-N 3.27Å; D81-M83 PolarHBondContact O-N 3.08Å; M83-G85 PolarHBondContact O-N 2.95Å; M83-Q86 PolarHBondContact O-N 3.01Å; M83-Q86 VanDerWaalsContact O-N 3.12Å; M83-F87 HydrophobicContact CB-CD2 3.82Å; M83-F87 HydrophobicContact CB-CE2 4.18Å; M83-F87 HydrophobicContact CB-CG 4.29Å; M83-F87 HydrophobicContact CG-CD2 4.01Å; M83-F87 HydrophobicContact CG-CE2 3.87Å; M83-F87 PolarHBondContact O-N 2.83Å; M83-F87 VanDerWaalsContact O-N 3.12Å; M83-F87 HydrophobicContact SD-CD2 3.63Å; M83-F87 HydrophobicContact SD-CE2 3.38Å; M83-F87 WeakPolarHBondContact SD-CE2 3.22Å; M83-F87 HydrophobicContact SD-CZ 4.45Å
84	K	90.8	Very high	96.2	Very high	150 Å²	150	56 Å²	56	65%	0.652	36%	0.357	S	S	*	.	B	Isolated β-bridge	trans	-60.9	126.7	-179.7	-170.5	175.5	-177.1	178.2	0	110.1	A80 Q86	A80-K84 PolarHBondContact O-N 3.41Å; A80-K84 VanDerWaalsContact O-N 3.07Å; K84-Q86 PolarHBondContact O-N 3Å
85	G	92.4	Very high	96.2	Very high	77 Å²	77	60.9 Å²	60.9	79%	0.794	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-14.7	-179	0	0	0	0	0	114.9	M83	M83-G85 PolarHBondContact O-N 2.95Å
86	Q	94.9	Very high	96.2	Very high	26 Å²	26	59.6 Å²	59.6	12%	0.121	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-44.5	172.9	-168.7	-170.9	22.5	0	0	111	M83 K84 N103 S104 D109	M83-Q86 PolarHBondContact O-N 3.01Å; M83-Q86 VanDerWaalsContact O-N 3.12Å; K84-Q86 PolarHBondContact O-N 3Å; Q86-N103 WeakPolarHBondContact CG-O 3.21Å; Q86-N103 PolarHBondContact NE2-O 3.4Å; Q86-N103 PolarHBondContact O-N 3.26Å; Q86-S104 PolarHBondContact NE2-O 2.89Å; Q86-D109 PolarHBondContact NE2-OD2 3.26Å
87	F	97.1	Very high	96.2	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.009	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	149.9	-178.8	-59.9	-9.3	0	0	0	111.2	V67 Y79 M83 L100 Q101 M102 L105 D109 Y113	V67-F87 HydrophobicContact CG1-CD2 3.77Å; V67-F87 HydrophobicContact CG1-CE2 4.37Å; Y79-F87 VanDerWaalsContact CE1-O 3.22Å; Y79-F87 WeakPolarHBondContact CE1-O 3.43Å; M83-F87 HydrophobicContact CB-CD2 3.82Å; M83-F87 HydrophobicContact CB-CE2 4.18Å; M83-F87 HydrophobicContact CB-CG 4.29Å; M83-F87 HydrophobicContact CG-CD2 4.01Å; M83-F87 HydrophobicContact CG-CE2 3.87Å; M83-F87 PolarHBondContact O-N 2.83Å; M83-F87 VanDerWaalsContact O-N 3.12Å; M83-F87 HydrophobicContact SD-CD2 3.63Å; M83-F87 HydrophobicContact SD-CE2 3.38Å; M83-F87 WeakPolarHBondContact SD-CE2 3.22Å; M83-F87 HydrophobicContact SD-CZ 4.45Å; F87-L100 HydrophobicContact CB-CD1 4.06Å; F87-L100 HydrophobicContact CD2-CD2 4.27Å; F87-Q101 CarbonylContact C-O 3.49Å; F87-Q101 VanDerWaalsContact CA-O 3.26Å; F87-Q101 WeakPolarHBondContact CA-O 3.3Å; F87-M102 HydrophobicContact CD1-CB 3.6Å; F87-M102 HydrophobicContact CD1-CG 3.55Å; F87-M102 HydrophobicContact CD1-SD 4.41Å; F87-M102 HydrophobicContact CD2-CG 4.19Å; F87-M102 HydrophobicContact CD2-SD 4.4Å; F87-M102 HydrophobicContact CE1-CB 3.61Å; F87-M102 HydrophobicContact CE1-CG 3.67Å; F87-M102 HydrophobicContact CE1-SD 4.04Å; F87-M102 HydrophobicContact CE2-CG 4.28Å; F87-M102 HydrophobicContact CE2-SD 4.01Å; F87-M102 HydrophobicContact CG-CB 4.4Å; F87-M102 HydrophobicContact CG-CG 3.86Å; F87-M102 HydrophobicContact CZ-CB 4.37Å; F87-M102 HydrophobicContact CZ-CG 4.05Å; F87-M102 HydrophobicContact CZ-SD 3.83Å; F87-L105 HydrophobicContact CE1-CD2 3.95Å; F87-L105 HydrophobicContact CZ-CD2 4.15Å; F87-D109 HydrophobicContact CZ-CB 4.14Å; F87-Y113 HydrophobicContact CE2-CE1 4.08Å; F87-Y113 WeakPolarHBondContact CE2-OH 3.29Å
88	T	97.8	Very high	96.2	Very high	67 Å²	67	55 Å²	55	41%	0.411	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	117.8	177.4	-56.9	0	0	0	0	109.5	Q101	T88-Q101 PolarHBondContact N-O 2.77Å; T88-Q101 PolarHBondContact O-N 3.24Å
89	I	98.5	Very high	96.3	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	137.3	174.4	-168.6	173.2	0	0	0	109.4	I70 T77 Y79 L98 Y99 L100	I70-I89 HydrophobicContact CB-CD1 3.91Å; I70-I89 HydrophobicContact CB-CG1 4.19Å; I70-I89 HydrophobicContact CB-CG2 4.1Å; I70-I89 HydrophobicContact CG2-CD1 3.63Å; I70-I89 HydrophobicContact CG2-CG1 3.99Å; T77-I89 HydrophobicContact CG2-CG2 3.7Å; Y79-I89 HydrophobicContact CE1-CB 4.39Å; Y79-I89 HydrophobicContact CE1-CG2 4Å; Y79-I89 PolarHBondContact OH-N 2.77Å; Y79-I89 VanDerWaalsContact OH-N 3.12Å; I89-L98 HydrophobicContact CD1-CD1 4.01Å; I89-L98 HydrophobicContact CD1-CD2 4.46Å; I89-L98 HydrophobicContact CG1-CD1 4.04Å; I89-Y99 WeakPolarHBondContact CA-O 3.4Å; I89-L100 HydrophobicContact CB-CD1 4.37Å
90	S	98.4	Very high	96.3	Very high	47 Å²	47	52.4 Å²	52.4	33%	0.329	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	162.5	170.7	55.7	0	0	0	0	110.3	Y99	S90-Y99 PolarHBondContact N-O 2.88Å; S90-Y99 PolarHBondContact O-N 2.89Å
91	R	98.3	Very high	96.3	Very high	32 Å²	32	54.5 Å²	54.5	12%	0.121	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.5	-178.6	68	-178.3	-66	153.5	4.2	111.3	F48 Y51 I70 N71 S72 N93 T97 L98	F48-R91 HydrophobicContact CE1-CB 4.26Å; F48-R91 HydrophobicContact CZ-CB 4.18Å; F48-R91 PolarHBondContact O-NH2 2.87Å; Y51-R91 PolarHBondContact O-NH1 3.16Å; I70-R91 HydrophobicContact CD1-CB 4.31Å; I70-R91 HydrophobicContact CD1-CG 3.83Å; I70-R91 HydrophobicContact CG1-CG 4.35Å; I70-R91 HydrophobicContact CG2-CB 4.37Å; N71-R91 WeakPolarHBondContact O-CD 3.35Å; N71-R91 PolarHBondContact O-NH1 2Å; S72-R91 VanDerWaalsContact CA-NH1 3.31Å; S72-R91 VanDerWaalsContact O-CZ 3.24Å; S72-R91 PolarHBondContact O-NE 3.42Å; R91-N93 PolarHBondContact NE-OD1 2.89Å; R91-N93 PolarHBondContact NH2-OD1 3.2Å; R91-T97 WeakPolarHBondContact CA-O 3.3Å; R91-L98 HydrophobicContact CB-CD1 4.06Å
92	D	98.1	Very high	96.5	Very high	40 Å²	40	47.8 Å²	47.8	21%	0.214	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	106.1	172.2	-176	-23.9	0	0	0	108.7	A94 K95 N96 T97 Y99	D92-A94 VanDerWaalsContact C-N 3.33Å; D92-A94 WeakPolarHBondContact OD1-CB 3.49Å; D92-A94 PolarHBondContact OD1-N 2.91Å; D92-K95 HydrophobicContact CB-CB 4.25Å; D92-K95 PolarHBondContact O-N 2.94Å; D92-K95 PolarHBondContact OD1-N 2.93Å; D92-K95 VanDerWaalsContact OD1-N 3.08Å; D92-K95 WeakPolarHBondContact OD2-CD 3.14Å; D92-K95 WeakPolarHBondContact OD2-CG 3.48Å; D92-K95 IonicContact OD2-NZ 2.82Å; D92-K95 PolarHBondContact OD2-NZ 3.34Å; D92-N96 WeakPolarHBondContact O-CA 3.44Å; D92-N96 PolarHBondContact O-N 2.94Å; D92-T97 PolarHBondContact N-O 2.82Å; D92-T97 PolarHBondContact O-N 3.11Å; D92-Y99 HydrophobicContact CB-CE2 3.99Å
93	N	97.8	Very high	96.7	Very high	59 Å²	59	46.2 Å²	46.2	32%	0.316	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-23.6	-178.4	-74.9	-16.3	0	0	0	113.1	F48 S72 R91 K95 N96	F48-N93 VanDerWaalsContact CD1-OD1 3.3Å; F48-N93 WeakPolarHBondContact CD1-OD1 3.46Å; F48-N93 VanDerWaalsContact CE1-OD1 3.28Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.32Å; S72-N93 PolarHBondContact O-ND2 2.82Å; R91-N93 PolarHBondContact NE-OD1 2.89Å; R91-N93 PolarHBondContact NH2-OD1 3.2Å; N93-K95 VanDerWaalsContact C-N 3.34Å; N93-N96 PolarHBondContact O-OD1 3.2Å
94	A	97.4	Very high	96.9	Very high	97 Å²	97	49.8 Å²	49.8	80%	0.802	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-30.8	175.9	0	0	0	0	0	111.1	D92	D92-A94 VanDerWaalsContact C-N 3.33Å; D92-A94 WeakPolarHBondContact OD1-CB 3.49Å; D92-A94 PolarHBondContact OD1-N 2.91Å
95	K	97.7	Very high	97.2	Very high	132 Å²	132	43.4 Å²	43.4	57%	0.574	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	0.3	177.4	-59.6	-169.2	-169.8	101	0	114.4	D92 N93 T97	D92-K95 HydrophobicContact CB-CB 4.25Å; D92-K95 PolarHBondContact O-N 2.94Å; D92-K95 PolarHBondContact OD1-N 2.93Å; D92-K95 VanDerWaalsContact OD1-N 3.08Å; D92-K95 WeakPolarHBondContact OD2-CD 3.14Å; D92-K95 WeakPolarHBondContact OD2-CG 3.48Å; D92-K95 IonicContact OD2-NZ 2.82Å; D92-K95 PolarHBondContact OD2-NZ 3.34Å; N93-K95 VanDerWaalsContact C-N 3.34Å; K95-T97 PolarHBondContact O-N 3.4Å; K95-T97 VanDerWaalsContact O-N 3.16Å; K95-T97 PolarHBondContact O-OG1 2.79Å
96	N	97.6	Very high	97.2	Very high	63 Å²	63	46.9 Å²	46.9	34%	0.337	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	43.5	-170.2	-60.2	-36	0	0	0	112.8	A43 F48 D92 N93	A43-N96 PolarHBondContact N-O 2.93Å; A43-N96 VanDerWaalsContact O-CB 3.31Å; A43-N96 WeakPolarHBondContact O-CB 3.26Å; F48-N96 HydrophobicContact CB-CB 3.97Å; F48-N96 WeakPolarHBondContact CB-OD1 3.31Å; F48-N96 HydrophobicContact CD1-CB 4.3Å; F48-N96 HydrophobicContact CG-CB 4.13Å; D92-N96 WeakPolarHBondContact O-CA 3.44Å; D92-N96 PolarHBondContact O-N 2.94Å; N93-N96 PolarHBondContact O-OD1 3.2Å
97	T	98.5	Very high	97.1	Very high	17 Å²	17	49.8 Å²	49.8	10%	0.104	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.8	-172.7	-54.9	0	0	0	0	111.4	C41 R91 D92 K95 Y99	C41-T97 CarbonylContact O-C 3.48Å; C41-T97 VanDerWaalsContact O-CA 3.32Å; C41-T97 WeakPolarHBondContact O-CA 3.39Å; R91-T97 WeakPolarHBondContact CA-O 3.3Å; D92-T97 PolarHBondContact N-O 2.82Å; D92-T97 PolarHBondContact O-N 3.11Å; K95-T97 PolarHBondContact O-N 3.4Å; K95-T97 VanDerWaalsContact O-N 3.16Å; K95-T97 PolarHBondContact O-OG1 2.79Å; T97-Y99 HydrophobicContact CG2-CD1 4.08Å; T97-Y99 HydrophobicContact CG2-CE1 3.43Å; T97-Y99 VanDerWaalsContact CG2-CE1 3.43Å; T97-Y99 HydrophobicContact CG2-CE2 3.99Å
98	L	98.7	Very high	96.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.7	170.7	-171.1	72.2	0	0	0	109.8	S40 C41 F48 M53 W55 I70 I89 R91 C115	S40-L98 CarbonylContact C-O 3.6Å; S40-L98 VanDerWaalsContact CA-O 3.3Å; S40-L98 WeakPolarHBondContact CA-O 3.45Å; C41-L98 HydrophobicContact CB-CB 4.16Å; C41-L98 PolarHBondContact N-O 3.29Å; C41-L98 PolarHBondContact O-N 3.5Å; F48-L98 HydrophobicContact CE2-CB 4.37Å; F48-L98 HydrophobicContact CZ-CB 4.24Å; M53-L98 HydrophobicContact CB-CD1 3.66Å; M53-L98 HydrophobicContact CB-CD2 3.85Å; M53-L98 HydrophobicContact CB-CG 4.3Å; M53-L98 HydrophobicContact CE-CD2 4.48Å; M53-L98 HydrophobicContact CG-CD1 4.46Å; W55-L98 HydrophobicContact CD2-CD2 4.39Å; W55-L98 HydrophobicContact CG-CD2 4.36Å; W55-L98 HydrophobicContact CZ2-CD2 4.33Å; W55-L98 VanDerWaalsContact NE1-CD2 3.29Å; I70-L98 HydrophobicContact CG2-CD1 3.54Å; I89-L98 HydrophobicContact CD1-CD1 4.01Å; I89-L98 HydrophobicContact CD1-CD2 4.46Å; I89-L98 HydrophobicContact CG1-CD1 4.04Å; R91-L98 HydrophobicContact CB-CD1 4.06Å; L98-C115 HydrophobicContact CD2-CB 3.96Å
99	Y	98.7	Very high	96.8	Very high	31 Å²	31	53.5 Å²	53.5	12%	0.122	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.7	178.9	-58.3	-72.3	0	0	0	111.5	R38 L39 S40 I89 S90 D92 T97	R38-Y99 VanDerWaalsContact NE-CD1 3.32Å; R38-Y99 VanDerWaalsContact NH2-CD1 3.25Å; R38-Y99 VanDerWaalsContact NH2-CD2 3.26Å; R38-Y99 VanDerWaalsContact NH2-CE1 3.3Å; R38-Y99 VanDerWaalsContact NH2-CE2 3.31Å; R38-Y99 VanDerWaalsContact NH2-CZ 3.34Å; L39-Y99 VanDerWaalsContact O-CA 3.29Å; L39-Y99 WeakPolarHBondContact O-CA 3.38Å; S40-Y99 VanDerWaalsContact OG-CD1 3.3Å; S40-Y99 WeakPolarHBondContact OG-CD1 3.28Å; S40-Y99 WeakPolarHBondContact OG-CE1 3.28Å; I89-Y99 WeakPolarHBondContact CA-O 3.4Å; S90-Y99 PolarHBondContact N-O 2.88Å; S90-Y99 PolarHBondContact O-N 2.89Å; D92-Y99 HydrophobicContact CB-CE2 3.99Å; T97-Y99 HydrophobicContact CG2-CD1 4.08Å; T97-Y99 HydrophobicContact CG2-CE1 3.43Å; T97-Y99 VanDerWaalsContact CG2-CE1 3.43Å; T97-Y99 HydrophobicContact CG2-CE2 3.99Å
100	L	98.6	Very high	96.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	106.9	166.4	-169.2	67.6	0	0	0	108.6	R38 L39 W55 V67 F87 I89 M102 Y113	R38-L100 WeakPolarHBondContact CA-O 3.16Å; L39-L100 HydrophobicContact CB-CB 4.18Å; L39-L100 HydrophobicContact CD1-CD2 4.26Å; L39-L100 PolarHBondContact N-O 2.89Å; L39-L100 PolarHBondContact O-N 3.06Å; W55-L100 HydrophobicContact CB-CD2 4.32Å; W55-L100 HydrophobicContact CD2-CB 4.16Å; W55-L100 HydrophobicContact CD2-CD2 4.32Å; W55-L100 HydrophobicContact CG-CB 4.22Å; W55-L100 HydrophobicContact CG-CD1 4.34Å; W55-L100 HydrophobicContact CG-CD2 4.09Å; W55-L100 HydrophobicContact CG-CG 4.46Å; W55-L100 HydrophobicContact CZ2-CB 4.3Å; V67-L100 HydrophobicContact CG1-CD1 4.3Å; V67-L100 HydrophobicContact CG1-CD2 4.04Å; F87-L100 HydrophobicContact CB-CD1 4.06Å; F87-L100 HydrophobicContact CD2-CD2 4.27Å; I89-L100 HydrophobicContact CB-CD1 4.37Å; L100-M102 HydrophobicContact CD2-CG 4Å; L100-M102 HydrophobicContact CD2-SD 3.89Å; L100-M102 HydrophobicContact CG-CG 3.93Å; L100-M102 HydrophobicContact CG-SD 4.46Å; L100-Y113 HydrophobicContact CD2-CD1 3.79Å; L100-Y113 HydrophobicContact CD2-CE1 3.83Å
101	Q	98	Very high	96.5	Very high	60 Å²	60	58.6 Å²	58.6	28%	0.28	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.3	170.1	-179.4	62.4	36.7	0	0	108.3	F87 T88 N103	F87-Q101 CarbonylContact C-O 3.49Å; F87-Q101 VanDerWaalsContact CA-O 3.26Å; F87-Q101 WeakPolarHBondContact CA-O 3.3Å; T88-Q101 PolarHBondContact N-O 2.77Å; T88-Q101 PolarHBondContact O-N 3.24Å; Q101-N103 PolarHBondContact NE2-OD1 3.15Å
102	M	97.2	Very high	96.4	Very high	7 Å²	7	60.7 Å²	60.7	3%	0.034	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.2	179.1	-58.7	-175.6	-64.1	0	0	109	S36 L37 L39 F87 L100 L105 Y113	S36-M102 CarbonylContact C-O 3.49Å; S36-M102 WeakPolarHBondContact CA-O 3.35Å; S36-M102 WeakPolarHBondContact CB-O 3.41Å; L37-M102 HydrophobicContact CB-CE 4.11Å; L37-M102 HydrophobicContact CD2-CE 3.35Å; L37-M102 HydrophobicContact CG-CE 4.35Å; L37-M102 PolarHBondContact N-O 3.19Å; L37-M102 PolarHBondContact O-N 3.28Å; L39-M102 HydrophobicContact CD1-CE 3.77Å; L39-M102 HydrophobicContact CD1-SD 4.22Å; L39-M102 HydrophobicContact CD2-CE 4.36Å; L39-M102 HydrophobicContact CG-CE 3.73Å; F87-M102 HydrophobicContact CD1-CB 3.6Å; F87-M102 HydrophobicContact CD1-CG 3.55Å; F87-M102 HydrophobicContact CD1-SD 4.41Å; F87-M102 HydrophobicContact CD2-CG 4.19Å; F87-M102 HydrophobicContact CD2-SD 4.4Å; F87-M102 HydrophobicContact CE1-CB 3.61Å; F87-M102 HydrophobicContact CE1-CG 3.67Å; F87-M102 HydrophobicContact CE1-SD 4.04Å; F87-M102 HydrophobicContact CE2-CG 4.28Å; F87-M102 HydrophobicContact CE2-SD 4.01Å; F87-M102 HydrophobicContact CG-CB 4.4Å; F87-M102 HydrophobicContact CG-CG 3.86Å; F87-M102 HydrophobicContact CZ-CB 4.37Å; F87-M102 HydrophobicContact CZ-CG 4.05Å; F87-M102 HydrophobicContact CZ-SD 3.83Å; L100-M102 HydrophobicContact CD2-CG 4Å; L100-M102 HydrophobicContact CD2-SD 3.89Å; L100-M102 HydrophobicContact CG-CG 3.93Å; L100-M102 HydrophobicContact CG-SD 4.46Å; M102-L105 HydrophobicContact CB-CD1 4.2Å; M102-L105 HydrophobicContact CB-CD2 3.89Å; M102-L105 HydrophobicContact CB-CG 4.13Å; M102-L105 HydrophobicContact CE-CD1 4.46Å; M102-L105 HydrophobicContact CE-CD2 4.42Å; M102-L105 HydrophobicContact SD-CD2 4.21Å; M102-Y113 HydrophobicContact SD-CE1 3.85Å; M102-Y113 HydrophobicContact SD-CE2 4.33Å
103	N	94.9	Very high	96.4	Very high	57 Å²	57	59.9 Å²	59.9	31%	0.305	33%	0.328	S	S	.	.			trans	-116.2	154.7	-179.2	-54	-53	0	0	0	110.3	Q86 Q101 L105	Q86-N103 WeakPolarHBondContact CG-O 3.21Å; Q86-N103 PolarHBondContact NE2-O 3.4Å; Q86-N103 PolarHBondContact O-N 3.26Å; Q101-N103 PolarHBondContact NE2-OD1 3.15Å; N103-L105 VanDerWaalsContact C-N 3.3Å; N103-L105 PolarHBondContact O-N 2.94Å
104	S	94.7	Very high	96.4	Very high	76 Å²	76	61.3 Å²	61.3	53%	0.531	33%	0.33	S	S	.	.	S	Bend	trans	51.5	47.6	176.4	-55.4	0	0	0	0	113	G35 Q86	G35-S104 PolarHBondContact O-N 3.48Å; G35-S104 VanDerWaalsContact O-N 3.17Å; Q86-S104 PolarHBondContact NE2-O 2.89Å
105	L	95.1	Very high	96.5	Very high	15 Å²	15	56.9 Å²	56.9	8%	0.079	29%	0.293	C	S	.	.			trans	-61	138.3	-174.2	-81	162.8	0	0	0	112.2	V31 P33 G34 G35 L37 F87 M102 N103 D109	V31-L105 HydrophobicContact CG2-CB 4.35Å; V31-L105 HydrophobicContact CG2-CD1 3.52Å; P33-L105 CarbonylContact C-O 3.59Å; P33-L105 WeakPolarHBondContact CA-O 3.31Å; G34-L105 PolarHBondContact N-O 3.01Å; G35-L105 PolarHBondContact O-N 2.94Å; L37-L105 HydrophobicContact CB-CD1 3.79Å; F87-L105 HydrophobicContact CE1-CD2 3.95Å; F87-L105 HydrophobicContact CZ-CD2 4.15Å; M102-L105 HydrophobicContact CB-CD1 4.2Å; M102-L105 HydrophobicContact CB-CD2 3.89Å; M102-L105 HydrophobicContact CB-CG 4.13Å; M102-L105 HydrophobicContact CE-CD1 4.46Å; M102-L105 HydrophobicContact CE-CD2 4.42Å; M102-L105 HydrophobicContact SD-CD2 4.21Å; N103-L105 VanDerWaalsContact C-N 3.3Å; N103-L105 PolarHBondContact O-N 2.94Å; L105-D109 HydrophobicContact CD2-CB 3.51Å
106	R	94.1	Very high	96.5	Very high	151 Å²	151	53.1 Å²	53.1	57%	0.57	28%	0.281	S	S	*	.			trans	-110.4	166.2	178.2	-58.4	175.8	-173.7	170.6	2.7	110.2	E108 D109	R106-E108 PolarHBondContact O-N 2.92Å; R106-D109 PolarHBondContact N-OD2 2.88Å; R106-D109 WeakPolarHBondContact O-CB 3.39Å; R106-D109 PolarHBondContact O-N 2.95Å
107	A	92.8	Very high	96.3	Very high	86 Å²	86	55.9 Å²	55.9	71%	0.711	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-57.8	-31.6	173.6	0	0	0	0	0	112.4	D109 M110	A107-D109 PolarHBondContact O-N 2.95Å; A107-M110 VanDerWaalsContact O-CB 3.31Å; A107-M110 WeakPolarHBondContact O-CB 3.24Å; A107-M110 PolarHBondContact O-N 3.04Å
108	E	92.4	Very high	96.2	Very high	136 Å²	136	57.8 Å²	57.8	64%	0.636	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-65.7	-17.2	175.7	-65	150	-154.8	0	0	113.8	R106 M110	R106-E108 PolarHBondContact O-N 2.92Å; E108-M110 VanDerWaalsContact C-N 3.33Å
109	D	94.6	Very high	96	Very high	12 Å²	12	60.8 Å²	60.8	6%	0.064	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-88.6	-3	178.5	-60.4	-45.6	0	0	0	113.1	R57 Q86 F87 L105 R106 A107 A111 Y113	R57-D109 IonicContact CZ-OD1 3.95Å; R57-D109 IonicContact NH1-OD1 3.84Å; R57-D109 PolarHBondContact NH1-OD1 3.14Å; R57-D109 IonicContact NH2-OD1 2.73Å; Q86-D109 PolarHBondContact NE2-OD2 3.26Å; F87-D109 HydrophobicContact CZ-CB 4.14Å; L105-D109 HydrophobicContact CD2-CB 3.51Å; R106-D109 PolarHBondContact N-OD2 2.88Å; R106-D109 WeakPolarHBondContact O-CB 3.39Å; R106-D109 PolarHBondContact O-N 2.95Å; A107-D109 PolarHBondContact O-N 2.95Å; D109-A111 PolarHBondContact O-N 3.45Å; D109-Y113 WeakPolarHBondContact O-CE2 3.41Å; D109-Y113 PolarHBondContact O-OH 3.08Å
110	M	94.5	Very high	95.9	Very high	133 Å²	133	62.5 Å²	62.5	66%	0.655	32%	0.322	S	S	*	.			trans	-69	103.6	174.3	-172.7	178.5	65.7	0	0	110.3	A107 E108	A107-M110 VanDerWaalsContact O-CB 3.31Å; A107-M110 WeakPolarHBondContact O-CB 3.24Å; A107-M110 PolarHBondContact O-N 3.04Å; E108-M110 VanDerWaalsContact C-N 3.33Å
111	A	96.2	Very high	95.7	Very high	26 Å²	26	66.2 Å²	66.2	22%	0.215	34%	0.341	C	S	.	.	S	Bend	trans	-155	165.2	-178.8	0	0	0	0	0	110.4	R57 Q58 A59 D109 Y113	R57-A111 HydrophobicContact CB-CB 3.94Å; R57-A111 HydrophobicContact CG-CB 4.2Å; Q58-A111 WeakPolarHBondContact O-CA 3.49Å; Q58-A111 WeakPolarHBondContact O-CB 3.41Å; A59-A111 HydrophobicContact CB-CB 4.35Å; D109-A111 PolarHBondContact O-N 3.45Å; A111-Y113 HydrophobicContact CB-CD2 4.3Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å; A111-Y113 WeakPolarHBondContact O-CD2 3.34Å
112	V	97.2	Very high	95.6	Very high	77 Å²	77	66.6 Å²	66.6	47%	0.467	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.8	162	-171.1	0	0	0	0	107.8	R57 Q58 Y114	R57-V112 CarbonylContact C-O 3.52Å; R57-V112 WeakPolarHBondContact CA-O 3.45Å; Q58-V112 PolarHBondContact N-O 3.25Å; Q58-V112 PolarHBondContact O-N 2.69Å; V112-Y114 HydrophobicContact CB-CE2 3.96Å; V112-Y114 HydrophobicContact CG1-CD1 4.49Å; V112-Y114 HydrophobicContact CG1-CD2 4.48Å; V112-Y114 HydrophobicContact CG1-CE1 3.77Å; V112-Y114 HydrophobicContact CG1-CE2 3.75Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.33Å
113	Y	98	Very high	95.5	Very high	23 Å²	23	70.5 Å²	70.5	9%	0.09	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.7	-179.5	-75	-106	0	0	0	109.3	L39 V56 R57 V67 F87 L100 M102 D109 A111	L39-Y113 VanDerWaalsContact CD1-CB 3.42Å; L39-Y113 HydrophobicContact CD1-CD1 3.82Å; L39-Y113 HydrophobicContact CD1-CD2 4Å; L39-Y113 HydrophobicContact CD1-CG 3.49Å; L39-Y113 VanDerWaalsContact CD1-CG 3.49Å; V56-Y113 CarbonylContact O-C 3.58Å; V56-Y113 WeakPolarHBondContact O-CA 3.35Å; R57-Y113 HydrophobicContact CB-CD1 3.8Å; R57-Y113 HydrophobicContact CB-CD2 4.31Å; R57-Y113 HydrophobicContact CB-CE1 3.79Å; R57-Y113 HydrophobicContact CB-CE2 4.27Å; R57-Y113 HydrophobicContact CB-CG 4.07Å; R57-Y113 HydrophobicContact CG-CE1 4.44Å; R57-Y113 PolarHBondContact NH1-OH 2.79Å; V67-Y113 HydrophobicContact CG2-CD1 4.36Å; V67-Y113 HydrophobicContact CG2-CE1 4.11Å; F87-Y113 HydrophobicContact CE2-CE1 4.08Å; F87-Y113 WeakPolarHBondContact CE2-OH 3.29Å; L100-Y113 HydrophobicContact CD2-CD1 3.79Å; L100-Y113 HydrophobicContact CD2-CE1 3.83Å; M102-Y113 HydrophobicContact SD-CE1 3.85Å; M102-Y113 HydrophobicContact SD-CE2 4.33Å; D109-Y113 WeakPolarHBondContact O-CE2 3.41Å; D109-Y113 PolarHBondContact O-OH 3.08Å; A111-Y113 HydrophobicContact CB-CD2 4.3Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å; A111-Y113 WeakPolarHBondContact O-CD2 3.34Å
114	Y	98.2	Very high	95.5	Very high	88 Å²	88	71.5 Å²	71.5	35%	0.345	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135	-179.6	-56.4	-77.9	0	0	0	108.9	E25 W55 V56 Q58 L64 V112	E25-Y114 WeakPolarHBondContact OE1-CA 3.4Å; W55-Y114 WeakPolarHBondContact CA-O 3.39Å; W55-Y114 VanDerWaalsContact CE3-C 3.48Å; V56-Y114 PolarHBondContact N-O 2.91Å; V56-Y114 PolarHBondContact O-N 2.91Å; Q58-Y114 HydrophobicContact CB-CE2 4.14Å; L64-Y114 HydrophobicContact CD2-CD2 4.18Å; L64-Y114 HydrophobicContact CD2-CE2 4.34Å; V112-Y114 HydrophobicContact CB-CE2 3.96Å; V112-Y114 HydrophobicContact CG1-CD1 4.49Å; V112-Y114 HydrophobicContact CG1-CD2 4.48Å; V112-Y114 HydrophobicContact CG1-CE1 3.77Å; V112-Y114 HydrophobicContact CG1-CE2 3.75Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.33Å
115	C	98.3	Very high	95.6	Very high	5 Å²	5	71.2 Å²	71.2	3%	0.034	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	144.5	165.7	56.5	0	0	0	0	109.3	L23 E25 C41 H54 W55 L98	L23-C115 VanDerWaalsContact CD1-O 3.29Å; L23-C115 WeakPolarHBondContact CD1-O 3.47Å; E25-C115 PolarHBondContact OE1-N 2.73Å; E25-C115 PolarHBondContact OE1-SG 3.04Å; C41-C115 HydrophobicContact CB-CB 3.43Å; C41-C115 VanDerWaalsContact CB-CB 3.43Å; C41-C115 WeakPolarHBondContact CB-SG 3.42Å; C41-C115 WeakPolarHBondContact SG-CB 3.17Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 2.84Å; H54-C115 CarbonylContact O-C 3.45Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 2.96Å; W55-C115 HydrophobicContact CD2-CB 4.32Å; W55-C115 HydrophobicContact CE3-CB 4.15Å; W55-C115 HydrophobicContact CH2-CB 4.1Å; W55-C115 HydrophobicContact CZ2-CB 4.26Å; W55-C115 HydrophobicContact CZ3-CB 4.03Å; L98-C115 HydrophobicContact CD2-CB 3.96Å
116	T	97.7	Very high	95.6	Very high	52 Å²	52	75.8 Å²	75.8	32%	0.319	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.1	177.5	73.7	0	0	0	0	110.2	H54 V56	H54-T116 WeakPolarHBondContact CB-OG1 3.34Å; H54-T116 PolarHBondContact N-O 3.2Å; H54-T116 PolarHBondContact O-N 3.46Å; V56-T116 HydrophobicContact CG2-CG2 4.2Å
117	R	93.5	Very high	95.8	Very high	121 Å²	121	69 Å²	69	46%	0.457	36%	0.363	S	S	.	.			trans	-87	0	169.8	-171.4	-178.4	75.8	-176.9	-2.8	110.4	F46 Y51 W52 M53	F46-R117 VanDerWaalsContact CD2-CD 3.44Å; F46-R117 HydrophobicContact CE2-CG 3.92Å; F46-R117 HydrophobicContact CZ-CB 4.41Å; F46-R117 HydrophobicContact CZ-CG 4.28Å; Y51-R117 VanDerWaalsContact CB-CG 3.47Å; Y51-R117 HydrophobicContact CD1-CG 3.66Å; Y51-R117 HydrophobicContact CD2-CG 4.24Å; Y51-R117 HydrophobicContact CE1-CG 4.45Å; Y51-R117 VanDerWaalsContact CG-CD 3.41Å; Y51-R117 HydrophobicContact CG-CG 3.53Å; W52-R117 VanDerWaalsContact O-OXT 3.13Å; M53-R117 HydrophobicContact CE-CB 4.45Å; M53-R117 HydrophobicContact SD-CB 4.06Å; M53-R117 HydrophobicContact SD-CG 4.09Å

Retrieved 117 of 117 residues in 74.7 ms (Link to these results)

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