A0A075B5X1_MOUSE Loading...

Immunoglobulin heavy variable V8-9

AlphaFold DB , UniProt , Accession A0A075B5X1, Species MOUSE (Mus musculus, Mouse), Gene Ighv8-9, Length 100 aa.

						>A0A075B5X1_MOUSE|A0A075B5X1|Ighv8-9
QVTLKESGPGILQPSQTLSLTCSFSVFSLSTFGMGVSWIRQPSGKGLEWLAHIYWDEDKHYKPSLKSRLTISKDTSNNQVFLKITTVDTADTATYYSARR
					

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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	33.3	Very low	56.6	Low	209 Å²	209	100.5 Å²	100.5	98%	0.977	59%	0.588	S	S	*	*				0	116	0	-171.1	170.2	-0.1	0	0	107.7
2	V	36.4	Very low	58.8	Low	101 Å²	101	96.5 Å²	96.5	61%	0.612	56%	0.562	S	S	*	*			trans	-83.5	113.3	176.7	177.2	0	0	0	0	107.1	L4	V2-L4 HydrophobicContact CG1-CD1 4.13Å; V2-L4 PolarHBondContact O-N 2.87Å
3	T	40.8	Very low	60.8	Low	90 Å²	90	98.6 Å²	98.6	55%	0.552	56%	0.563	S	S	*	*			trans	-95.1	91.8	172.2	-50.9	0	0	0	0	107.6	K5	T3-K5 PolarHBondContact O-N 3.23Å
4	L	50.6	Low	62.4	Low	68 Å²	68	97.3 Å²	97.3	36%	0.356	56%	0.56	S	S	.	*			trans	-80.1	106.3	169	-136.6	91.5	0	0	0	107.1	V2 E6 F24	V2-L4 HydrophobicContact CG1-CD1 4.13Å; V2-L4 PolarHBondContact O-N 2.87Å; L4-E6 HydrophobicContact CD2-CG 3.85Å; L4-E6 VanDerWaalsContact CD2-OE1 3.27Å; L4-E6 WeakPolarHBondContact CD2-OE1 3.31Å; L4-E6 HydrophobicContact CG-CG 4.49Å; L4-F24 HydrophobicContact CD1-CE1 4.16Å
5	K	52.8	Low	64.1	Low	154 Å²	154	97.2 Å²	97.2	67%	0.67	57%	0.568	S	S	*	*			trans	-101.2	93.4	169.2	-171	178.8	-179.2	-178.7	0	107.7	T3	T3-K5 PolarHBondContact O-N 3.23Å
6	E	59.1	Low	65.8	Low	77 Å²	77	96.3 Å²	96.3	36%	0.36	56%	0.556	S	S	.	*			trans	-79.1	122.7	169.5	-65.8	-178.8	163.9	0	0	108.2	L4 T21	L4-E6 HydrophobicContact CD2-CG 3.85Å; L4-E6 VanDerWaalsContact CD2-OE1 3.27Å; L4-E6 WeakPolarHBondContact CD2-OE1 3.31Å; L4-E6 HydrophobicContact CG-CG 4.49Å; E6-T21 WeakPolarHBondContact CA-O 3.21Å
7	S	63	Low	67.4	Low	64 Å²	64	94.5 Å²	94.5	45%	0.448	55%	0.548	S	S	.	.	B	Isolated β-bridge	trans	-112.4	129.4	166.5	55.7	0	0	0	0	108.5	T21	S7-T21 PolarHBondContact O-N 3.29Å
8	G	63.3	Low	68.9	Low	44 Å²	44	90.1 Å²	90.1	45%	0.454	52%	0.521	S	S	.	.			trans	-165.3	154.7	177.2	0	0	0	0	0	109.8	G10	G8-G10 PolarHBondContact O-N 2.98Å
9	P	68.8	Low	70.2	Confident	64 Å²	64	88.1 Å²	88.1	42%	0.416	51%	0.513	S	S	.	.			trans	-62.5	132.1	173.5	26.5	-33	0	0	0	110	I11 L12 L18	P9-I11 VanDerWaalsContact C-N 3.34Å; P9-I11 PolarHBondContact O-N 2.96Å; P9-L12 HydrophobicContact CB-CD2 3.72Å; P9-L12 HydrophobicContact CB-CG 4.02Å; P9-L12 HydrophobicContact CG-CD1 3.7Å; P9-L12 HydrophobicContact CG-CD2 3.53Å; P9-L12 HydrophobicContact CG-CG 3.63Å; P9-L18 HydrophobicContact CG-CD1 3.92Å
10	G	74.9	Confident	71.4	Confident	82 Å²	82	84.4 Å²	84.4	85%	0.845	49%	0.491	S	S	*	.	S	Bend	trans	-70.8	-27.3	-179	0	0	0	0	0	114.1	G8	G8-G10 PolarHBondContact O-N 2.98Å
11	I	80	Confident	72.5	Confident	152 Å²	152	81.5 Å²	81.5	78%	0.779	48%	0.475	S	S	*	.			trans	-142.2	131.9	176.8	-57.9	177.3	0	0	0	108.2	P9	P9-I11 VanDerWaalsContact C-N 3.34Å; P9-I11 PolarHBondContact O-N 2.96Å
12	L	82.1	Confident	75.4	Confident	53 Å²	53	71.6 Å²	71.6	28%	0.277	43%	0.428	S	S	.	.			trans	-123.2	147.2	173.7	-70.8	175.8	0	0	0	110.2	P9 Q16 L18 V87	P9-L12 HydrophobicContact CB-CD2 3.72Å; P9-L12 HydrophobicContact CB-CG 4.02Å; P9-L12 HydrophobicContact CG-CD1 3.7Å; P9-L12 HydrophobicContact CG-CD2 3.53Å; P9-L12 HydrophobicContact CG-CG 3.63Å; L12-Q16 HydrophobicContact CB-CB 4.45Å; L12-Q16 HydrophobicContact CD2-CB 4.27Å; L12-Q16 VanDerWaalsContact CD2-OE1 3.23Å; L12-L18 HydrophobicContact CD1-CB 3.67Å; L12-L18 HydrophobicContact CD1-CD1 3.79Å; L12-L18 HydrophobicContact CD1-CG 4.34Å; L12-V87 HydrophobicContact CB-CG2 4.16Å; L12-V87 HydrophobicContact CD1-CG2 4.28Å
13	Q	85	Confident	78.1	Confident	124 Å²	124	68.3 Å²	68.3	58%	0.579	41%	0.41	S	S	*	.			trans	-77.8	152.4	167.3	-62.5	-61.9	-40.5	0	0	110.1	Q16	Q13-Q16 HydrophobicContact CB-CG 4.12Å; Q13-Q16 VanDerWaalsContact O-CB 3.28Å; Q13-Q16 WeakPolarHBondContact O-CB 3.34Å; Q13-Q16 WeakPolarHBondContact O-CG 3.28Å; Q13-Q16 PolarHBondContact O-N 3.11Å
14	P	83.9	Confident	80.4	Confident	80 Å²	80	65 Å²	65	52%	0.519	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	150.2	171.9	-25.7	34.8	0	0	0	112.1	Q16 V87	P14-Q16 PolarHBondContact O-N 3.21Å; P14-V87 CarbonylContact C-O 3.55Å; P14-V87 VanDerWaalsContact CA-O 3.31Å; P14-V87 WeakPolarHBondContact CA-O 3.28Å
15	S	88.2	Confident	82.1	Confident	96 Å²	96	65.4 Å²	65.4	67%	0.671	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	-5.1	-176.3	-47.2	0	0	0	0	116.1	V87	S15-V87 PolarHBondContact N-O 3.26Å
16	Q	91.1	Very high	83.6	Confident	83 Å²	83	62.6 Å²	62.6	39%	0.388	39%	0.392	S	S	.	.			trans	-72.4	173	171.6	-65.6	-173.1	-38.5	0	0	111.7	L12 Q13 P14 T86 V87	L12-Q16 HydrophobicContact CB-CB 4.45Å; L12-Q16 HydrophobicContact CD2-CB 4.27Å; L12-Q16 VanDerWaalsContact CD2-OE1 3.23Å; Q13-Q16 HydrophobicContact CB-CG 4.12Å; Q13-Q16 VanDerWaalsContact O-CB 3.28Å; Q13-Q16 WeakPolarHBondContact O-CB 3.34Å; Q13-Q16 WeakPolarHBondContact O-CG 3.28Å; Q13-Q16 PolarHBondContact O-N 3.11Å; P14-Q16 PolarHBondContact O-N 3.21Å; Q16-T86 PolarHBondContact O-N 3.24Å; Q16-V87 HydrophobicContact CB-CG2 4.36Å; Q16-V87 WeakPolarHBondContact O-CG2 3.21Å; Q16-V87 PolarHBondContact O-N 3.09Å
17	T	92.8	Very high	84.9	Confident	66 Å²	66	60.4 Å²	60.4	41%	0.405	38%	0.381	S	S	.	.			trans	-106.2	121.9	174.7	-62.4	0	0	0	0	109.7	K83 I84 T85	T17-K83 HydrophobicContact CG2-CB 4.37Å; T17-I84 CarbonylContact C-O 3.55Å; T17-I84 WeakPolarHBondContact CA-O 3.35Å; T17-T85 HydrophobicContact CG2-CG2 4.41Å
18	L	93.5	Very high	86.3	Confident	14 Å²	14	59.4 Å²	59.4	7%	0.073	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.8	167.4	176.5	62.4	0	0	0	109.1	P9 L12 L20 K83 I84 V87 Y95	P9-L18 HydrophobicContact CG-CD1 3.92Å; L12-L18 HydrophobicContact CD1-CB 3.67Å; L12-L18 HydrophobicContact CD1-CD1 3.79Å; L12-L18 HydrophobicContact CD1-CG 4.34Å; L18-L20 HydrophobicContact CD1-CD2 3.92Å; L18-L20 HydrophobicContact CD1-CG 4.2Å; L18-L20 HydrophobicContact CD2-CD1 4.17Å; L18-L20 HydrophobicContact CD2-CG 4.26Å; L18-L20 HydrophobicContact CG-CD1 4.49Å; L18-L20 HydrophobicContact CG-CD2 4.32Å; L18-L20 HydrophobicContact CG-CG 4.05Å; L18-K83 CarbonylContact O-C 3.56Å; L18-K83 VanDerWaalsContact O-CA 3.25Å; L18-K83 WeakPolarHBondContact O-CA 3.42Å; L18-I84 HydrophobicContact CB-CB 4.27Å; L18-I84 HydrophobicContact CD2-CD1 4.12Å; L18-I84 HydrophobicContact CD2-CG1 4.46Å; L18-I84 PolarHBondContact N-O 2.72Å; L18-I84 PolarHBondContact O-N 3.49Å; L18-V87 HydrophobicContact CB-CG1 3.74Å; L18-Y95 HydrophobicContact CD2-CD2 4.39Å; L18-Y95 HydrophobicContact CD2-CE1 4.2Å; L18-Y95 HydrophobicContact CD2-CE2 3.82Å
19	S	93.9	Very high	87.7	Confident	52 Å²	52	57.6 Å²	57.6	36%	0.364	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.1	171.9	-62.2	0	0	0	0	109	L82	S19-L82 WeakPolarHBondContact CA-O 3.44Å
20	L	94.7	Very high	88.9	Confident	14 Å²	14	58 Å²	58	7%	0.073	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	145.7	178.1	-61.4	174.1	0	0	0	109.8	L18 W38 F81 L82 Y95	L18-L20 HydrophobicContact CD1-CD2 3.92Å; L18-L20 HydrophobicContact CD1-CG 4.2Å; L18-L20 HydrophobicContact CD2-CD1 4.17Å; L18-L20 HydrophobicContact CD2-CG 4.26Å; L18-L20 HydrophobicContact CG-CD1 4.49Å; L18-L20 HydrophobicContact CG-CD2 4.32Å; L18-L20 HydrophobicContact CG-CG 4.05Å; L20-W38 HydrophobicContact CB-CH2 3.72Å; L20-W38 HydrophobicContact CB-CZ2 4.22Å; L20-W38 HydrophobicContact CB-CZ3 4.04Å; L20-W38 HydrophobicContact CD1-CE3 4.3Å; L20-W38 HydrophobicContact CD1-CZ3 3.99Å; L20-F81 VanDerWaalsContact O-CA 3.29Å; L20-F81 WeakPolarHBondContact O-CA 3.3Å; L20-L82 HydrophobicContact CB-CB 4.37Å; L20-L82 HydrophobicContact CD1-CD2 4.31Å; L20-L82 PolarHBondContact N-O 3.02Å; L20-L82 PolarHBondContact O-N 3.43Å; L20-Y95 VanDerWaalsContact CD1-CB 3.49Å; L20-Y95 HydrophobicContact CD1-CD1 3.51Å; L20-Y95 HydrophobicContact CD1-CD2 4.12Å; L20-Y95 HydrophobicContact CD1-CE1 4.27Å; L20-Y95 HydrophobicContact CD1-CG 3.42Å; L20-Y95 VanDerWaalsContact CD1-CG 3.42Å
21	T	94.5	Very high	89.8	Confident	25 Å²	25	57.2 Å²	57.2	15%	0.153	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.2	173.6	-53.3	0	0	0	0	109.3	E6 S7 Q79 F81	E6-T21 WeakPolarHBondContact CA-O 3.21Å; S7-T21 PolarHBondContact O-N 3.29Å; T21-Q79 HydrophobicContact CG2-CB 4.24Å; T21-Q79 HydrophobicContact CG2-CG 4.11Å; T21-F81 HydrophobicContact CG2-CD1 3.87Å; T21-F81 HydrophobicContact CG2-CE1 3.55Å; T21-F81 HydrophobicContact CG2-CZ 4.3Å; T21-F81 WeakPolarHBondContact OG1-CD1 3.4Å
22	C	93.1	Very high	90.5	Very high	0 Å²	0	58 Å²	58	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.3	167.6	178.5	0	0	0	0	108.9	F24 W38 Q79 V80 S97	C22-F24 HydrophobicContact CB-CE2 4.37Å; C22-F24 WeakPolarHBondContact SG-CZ 3.47Å; C22-W38 HydrophobicContact CB-CH2 3.66Å; C22-W38 HydrophobicContact CB-CZ2 3.65Å; C22-Q79 CarbonylContact O-C 3.56Å; C22-Q79 VanDerWaalsContact O-CA 3.28Å; C22-Q79 WeakPolarHBondContact O-CA 3.32Å; C22-V80 PolarHBondContact N-O 2.83Å; C22-V80 PolarHBondContact O-N 2.94Å; C22-S97 VanDerWaalsContact CB-CB 3.49Å; C22-S97 WeakPolarHBondContact CB-OG 3.32Å; C22-S97 WeakPolarHBondContact SG-CB 3.36Å; C22-S97 PolarHBondContact SG-OG 3.38Å
23	S	93.3	Very high	91.1	Very high	32 Å²	32	57.5 Å²	57.5	22%	0.224	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.7	173.8	-52.4	0	0	0	0	109.9	Q79	S23-Q79 WeakPolarHBondContact OG-CG 3.33Å; S23-Q79 PolarHBondContact OG-NE2 2.91Å
24	F	89.2	Confident	91.5	Very high	20 Å²	20	52.5 Å²	52.5	9%	0.088	32%	0.32	C	S	.	.			trans	-117.2	146.2	176.5	-59.5	-82	0	0	0	110.6	L4 C22 F27 L29 V36 N78 V80 S97	L4-F24 HydrophobicContact CD1-CE1 4.16Å; C22-F24 HydrophobicContact CB-CE2 4.37Å; C22-F24 WeakPolarHBondContact SG-CZ 3.47Å; F24-F27 HydrophobicContact CB-CD1 4.01Å; F24-F27 HydrophobicContact CB-CE1 3.45Å; F24-F27 VanDerWaalsContact CB-CE1 3.45Å; F24-F27 HydrophobicContact CB-CE2 4.34Å; F24-F27 HydrophobicContact CB-CZ 3.65Å; F24-F27 HydrophobicContact CD1-CD1 4.26Å; F24-F27 AromaticContact CD1-CE1 3.08Å; F24-F27 HydrophobicContact CD1-CE1 3.08Å; F24-F27 AromaticContact CD1-CZ 3.28Å; F24-F27 HydrophobicContact CD1-CZ 3.28Å; F24-F27 HydrophobicContact CD2-CE1 4.08Å; F24-F27 HydrophobicContact CD2-CE2 4.17Å; F24-F27 AromaticContact CD2-CZ 3.47Å; F24-F27 HydrophobicContact CD2-CZ 3.47Å; F24-F27 VanDerWaalsContact CD2-CZ 3.47Å; F24-F27 AromaticContact CE1-CE1 3.63Å; F24-F27 HydrophobicContact CE1-CE1 3.63Å; F24-F27 AromaticContact CE1-CZ 3.53Å; F24-F27 HydrophobicContact CE1-CZ 3.53Å; F24-F27 AromaticContact CE2-CZ 3.75Å; F24-F27 HydrophobicContact CE2-CZ 3.75Å; F24-F27 HydrophobicContact CG-CD1 4.3Å; F24-F27 AromaticContact CG-CE1 3.27Å; F24-F27 HydrophobicContact CG-CE1 3.27Å; F24-F27 HydrophobicContact CG-CE2 4.12Å; F24-F27 AromaticContact CG-CZ 3.17Å; F24-F27 HydrophobicContact CG-CZ 3.17Å; F24-F27 HydrophobicContact CZ-CE1 4.3Å; F24-F27 AromaticContact CZ-CZ 3.72Å; F24-F27 HydrophobicContact CZ-CZ 3.72Å; F24-L29 HydrophobicContact CD2-CD2 4.41Å; F24-L29 HydrophobicContact CE2-CD2 4.43Å; F24-V36 HydrophobicContact CE2-CB 4.47Å; F24-V36 HydrophobicContact CE2-CG1 3.99Å; F24-V36 HydrophobicContact CE2-CG2 3.68Å; F24-V36 HydrophobicContact CZ-CB 4.45Å; F24-V36 HydrophobicContact CZ-CG1 3.77Å; F24-V36 HydrophobicContact CZ-CG2 3.75Å; F24-N78 VanDerWaalsContact C-ND2 3.29Å; F24-N78 WeakPolarHBondContact CB-ND2 3.38Å; F24-N78 PolarHBondContact N-O 2.85Å; F24-N78 PolarHBondContact O-ND2 3.21Å; F24-V80 HydrophobicContact CE2-CB 4.5Å; F24-V80 HydrophobicContact CE2-CG2 3.99Å; F24-S97 WeakPolarHBondContact CZ-OG 3.38Å
25	S	87.3	Confident	92	Very high	78 Å²	78	48.8 Å²	48.8	55%	0.545	30%	0.296	S	S	.	.	S	Bend	trans	-112.4	-15.7	-177.7	55.2	0	0	0	0	114.4
26	V	83.6	Confident	92.4	Very high	94 Å²	94	44.2 Å²	44.2	57%	0.57	26%	0.264	S	S	*	.	S	Bend	trans	-116.1	-8	-165.2	-61.3	0	0	0	0	115.1
27	F	85.8	Confident	92.6	Very high	31 Å²	31	41.2 Å²	41.2	14%	0.136	25%	0.252	C	S	.	.	S	Bend	trans	-142.7	157.7	179.1	67.8	-90.8	0	0	0	110.1	F24 L29 M34 V36 N78 R99	F24-F27 HydrophobicContact CB-CD1 4.01Å; F24-F27 HydrophobicContact CB-CE1 3.45Å; F24-F27 VanDerWaalsContact CB-CE1 3.45Å; F24-F27 HydrophobicContact CB-CE2 4.34Å; F24-F27 HydrophobicContact CB-CZ 3.65Å; F24-F27 HydrophobicContact CD1-CD1 4.26Å; F24-F27 AromaticContact CD1-CE1 3.08Å; F24-F27 HydrophobicContact CD1-CE1 3.08Å; F24-F27 AromaticContact CD1-CZ 3.28Å; F24-F27 HydrophobicContact CD1-CZ 3.28Å; F24-F27 HydrophobicContact CD2-CE1 4.08Å; F24-F27 HydrophobicContact CD2-CE2 4.17Å; F24-F27 AromaticContact CD2-CZ 3.47Å; F24-F27 HydrophobicContact CD2-CZ 3.47Å; F24-F27 VanDerWaalsContact CD2-CZ 3.47Å; F24-F27 AromaticContact CE1-CE1 3.63Å; F24-F27 HydrophobicContact CE1-CE1 3.63Å; F24-F27 AromaticContact CE1-CZ 3.53Å; F24-F27 HydrophobicContact CE1-CZ 3.53Å; F24-F27 AromaticContact CE2-CZ 3.75Å; F24-F27 HydrophobicContact CE2-CZ 3.75Å; F24-F27 HydrophobicContact CG-CD1 4.3Å; F24-F27 AromaticContact CG-CE1 3.27Å; F24-F27 HydrophobicContact CG-CE1 3.27Å; F24-F27 HydrophobicContact CG-CE2 4.12Å; F24-F27 AromaticContact CG-CZ 3.17Å; F24-F27 HydrophobicContact CG-CZ 3.17Å; F24-F27 HydrophobicContact CZ-CE1 4.3Å; F24-F27 AromaticContact CZ-CZ 3.72Å; F24-F27 HydrophobicContact CZ-CZ 3.72Å; F27-L29 HydrophobicContact CE2-CD2 3.78Å; F27-L29 HydrophobicContact CE2-CG 4.3Å; F27-L29 HydrophobicContact CZ-CD2 4.49Å; F27-M34 HydrophobicContact CB-CE 3.97Å; F27-M34 HydrophobicContact CD2-CE 3.88Å; F27-M34 HydrophobicContact CD2-CG 3.78Å; F27-M34 HydrophobicContact CD2-SD 3.63Å; F27-M34 HydrophobicContact CE2-CG 3.89Å; F27-M34 HydrophobicContact CE2-SD 3.88Å; F27-M34 HydrophobicContact CG-CE 4.15Å; F27-M34 HydrophobicContact CG-SD 4.25Å; F27-V36 HydrophobicContact CE2-CG2 4.28Å; F27-V36 HydrophobicContact CZ-CG2 4.18Å; F27-N78 VanDerWaalsContact O-CG 3.32Å; F27-N78 PolarHBondContact O-ND2 3.43Å; F27-N78 PolarHBondContact O-OD1 2.91Å; F27-R99 VanDerWaalsContact CD1-CD 3.4Å; F27-R99 HydrophobicContact CD1-CG 4.46Å; F27-R99 HydrophobicContact CE1-CB 4.24Å; F27-R99 HydrophobicContact CE1-CG 4.02Å; F27-R99 HydrophobicContact CE2-CG 4.2Å; F27-R99 HydrophobicContact CZ-CB 4.19Å; F27-R99 HydrophobicContact CZ-CG 3.87Å
28	S	92.4	Very high	92.8	Very high	44 Å²	44	38.1 Å²	38.1	31%	0.308	23%	0.233	S	C	.	.			trans	-93.8	134.2	172.6	-178.9	0	0	0	0	111.1	S30 T31	S28-S30 PolarHBondContact O-N 3.18Å; S28-S30 PolarHBondContact OG-N 3.5Å; S28-S30 VanDerWaalsContact OG-N 3.12Å; S28-S30 PolarHBondContact OG-OG 3.23Å; S28-T31 WeakPolarHBondContact O-CB 3.36Å; S28-T31 PolarHBondContact O-N 3.03Å; S28-T31 VanDerWaalsContact O-N 3.11Å; S28-T31 PolarHBondContact O-OG1 2.81Å
29	L	93.5	Very high	93	Very high	5 Å²	5	39 Å²	39	3%	0.026	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-7.4	169.8	-70.5	168.9	0	0	0	114.1	F24 F27 V36 W55 K73 T75 N78 Q79 V80	F24-L29 HydrophobicContact CD2-CD2 4.41Å; F24-L29 HydrophobicContact CE2-CD2 4.43Å; F27-L29 HydrophobicContact CE2-CD2 3.78Å; F27-L29 HydrophobicContact CE2-CG 4.3Å; F27-L29 HydrophobicContact CZ-CD2 4.49Å; L29-V36 HydrophobicContact CD2-CG2 3.53Å; L29-W55 WeakPolarHBondContact O-CA 3.18Å; L29-K73 HydrophobicContact CB-CD 4.29Å; L29-K73 HydrophobicContact CD1-CB 4.22Å; L29-K73 PolarHBondContact O-NZ 3.37Å; L29-K73 VanDerWaalsContact O-NZ 3.09Å; L29-T75 HydrophobicContact CB-CG2 4.11Å; L29-N78 VanDerWaalsContact CG-OD1 3.31Å; L29-N78 WeakPolarHBondContact CG-OD1 3.4Å; L29-N78 PolarHBondContact N-OD1 3.04Å; L29-N78 VanDerWaalsContact N-OD1 3.08Å; L29-Q79 WeakPolarHBondContact CD1-O 3.47Å; L29-V80 HydrophobicContact CD1-CG2 3.61Å; L29-V80 HydrophobicContact CD2-CG2 3.55Å; L29-V80 HydrophobicContact CG-CG2 4.26Å
30	S	93.8	Very high	93	Very high	72 Å²	72	37.2 Å²	37.2	50%	0.503	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-3.7	173.1	72.3	0	0	0	0	113.6	S28 F32	S28-S30 PolarHBondContact O-N 3.18Å; S28-S30 PolarHBondContact OG-N 3.5Å; S28-S30 VanDerWaalsContact OG-N 3.12Å; S28-S30 PolarHBondContact OG-OG 3.23Å; S30-F32 PolarHBondContact O-N 3.46Å
31	T	94.6	Very high	93.1	Very high	67 Å²	67	40 Å²	40	41%	0.411	24%	0.236	S	C	.	.	S	Bend	trans	-64.6	128	178.2	-64.1	0	0	0	0	110	S28 G33 M34 W55	S28-T31 WeakPolarHBondContact O-CB 3.36Å; S28-T31 PolarHBondContact O-N 3.03Å; S28-T31 VanDerWaalsContact O-N 3.11Å; S28-T31 PolarHBondContact O-OG1 2.81Å; T31-G33 PolarHBondContact O-N 3.38Å; T31-M34 HydrophobicContact CG2-CE 4.31Å; T31-M34 WeakPolarHBondContact O-CB 3.4Å; T31-M34 PolarHBondContact O-N 3.37Å; T31-W55 WeakPolarHBondContact O-CB 3.49Å
32	F	95	Very high	93	Very high	169 Å²	169	39.5 Å²	39.5	74%	0.741	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	133.1	178.3	-175.9	-90.3	0	0	0	111.8	S30 M34 W55	S30-F32 PolarHBondContact O-N 3.46Å; F32-M34 PolarHBondContact O-N 3.3Å; F32-W55 HydrophobicContact CD2-CD2 4.12Å; F32-W55 AromaticContact CD2-CE2 3.49Å; F32-W55 VanDerWaalsContact CD2-CE2 3.49Å; F32-W55 HydrophobicContact CD2-CE3 4.35Å; F32-W55 AromaticContact CD2-CH2 3.44Å; F32-W55 HydrophobicContact CD2-CH2 3.44Å; F32-W55 VanDerWaalsContact CD2-CH2 3.44Å; F32-W55 AromaticContact CD2-CZ2 3.14Å; F32-W55 HydrophobicContact CD2-CZ2 3.14Å; F32-W55 HydrophobicContact CD2-CZ3 4.03Å; F32-W55 AromaticContact CE2-CE2 3.82Å; F32-W55 AromaticContact CE2-CH2 3.69Å; F32-W55 HydrophobicContact CE2-CH2 3.69Å; F32-W55 AromaticContact CE2-CZ2 3.17Å; F32-W55 HydrophobicContact CE2-CZ2 3.17Å; F32-W55 HydrophobicContact CG-CZ2 4.21Å; F32-W55 HydrophobicContact CZ-CZ2 4.25Å
33	G	93	Very high	93	Very high	41 Å²	41	45.5 Å²	45.5	42%	0.423	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-6.7	-177.5	0	0	0	0	0	115.3	T31	T31-G33 PolarHBondContact O-N 3.38Å
34	M	93.7	Very high	93.1	Very high	19 Å²	19	48 Å²	48	9%	0.094	31%	0.306	C	S	.	.			trans	-70.1	143.1	177	-168.8	63.8	63.3	0	0	110.8	F27 T31 F32 Y54 W55 R99 R100	F27-M34 HydrophobicContact CB-CE 3.97Å; F27-M34 HydrophobicContact CD2-CE 3.88Å; F27-M34 HydrophobicContact CD2-CG 3.78Å; F27-M34 HydrophobicContact CD2-SD 3.63Å; F27-M34 HydrophobicContact CE2-CG 3.89Å; F27-M34 HydrophobicContact CE2-SD 3.88Å; F27-M34 HydrophobicContact CG-CE 4.15Å; F27-M34 HydrophobicContact CG-SD 4.25Å; T31-M34 HydrophobicContact CG2-CE 4.31Å; T31-M34 WeakPolarHBondContact O-CB 3.4Å; T31-M34 PolarHBondContact O-N 3.37Å; F32-M34 PolarHBondContact O-N 3.3Å; M34-Y54 CarbonylContact O-C 3.52Å; M34-Y54 WeakPolarHBondContact O-CA 3.4Å; M34-W55 HydrophobicContact CB-CB 4.37Å; M34-W55 WeakPolarHBondContact O-CB 3.48Å; M34-W55 PolarHBondContact O-N 2.57Å; M34-R99 WeakPolarHBondContact SD-CD 3.37Å; M34-R99 HydrophobicContact SD-CG 3.38Å; M34-R99 WeakPolarHBondContact SD-CG 3.46Å; M34-R100 VanDerWaalsContact SD-O 3.39Å
35	G	94.7	Very high	93.4	Very high	2 Å²	2	54 Å²	54	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	160.3	170.7	0	0	0	0	0	112.4	I53 R100	G35-I53 CarbonylContact C-O 3.56Å; G35-I53 VanDerWaalsContact CA-O 3.26Å; G35-I53 WeakPolarHBondContact CA-O 3.29Å; G35-R100 PolarHBondContact N-O 2.92Å; G35-R100 PolarHBondContact O-N 3.37Å
36	V	95.9	Very high	93.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.8	177.3	176	0	0	0	0	109.9	F24 F27 L29 H52 I53 V80 S97 A98	F24-V36 HydrophobicContact CE2-CB 4.47Å; F24-V36 HydrophobicContact CE2-CG1 3.99Å; F24-V36 HydrophobicContact CE2-CG2 3.68Å; F24-V36 HydrophobicContact CZ-CB 4.45Å; F24-V36 HydrophobicContact CZ-CG1 3.77Å; F24-V36 HydrophobicContact CZ-CG2 3.75Å; F27-V36 HydrophobicContact CE2-CG2 4.28Å; F27-V36 HydrophobicContact CZ-CG2 4.18Å; L29-V36 HydrophobicContact CD2-CG2 3.53Å; V36-H52 PolarHBondContact N-CE1 2.91Å; V36-H52 CarbonylContact O-C 3.52Å; V36-H52 VanDerWaalsContact O-CA 3.29Å; V36-H52 WeakPolarHBondContact O-CA 3.37Å; V36-H52 PolarHBondContact O-ND1 3.15Å; V36-I53 HydrophobicContact CB-CG2 4.46Å; V36-I53 PolarHBondContact N-O 2.94Å; V36-I53 PolarHBondContact O-N 3.27Å; V36-V80 HydrophobicContact CB-CG1 4.43Å; V36-V80 HydrophobicContact CB-CG2 3.95Å; V36-V80 HydrophobicContact CG1-CB 4.18Å; V36-V80 HydrophobicContact CG1-CG1 4.1Å; V36-V80 HydrophobicContact CG1-CG2 4.01Å; V36-V80 HydrophobicContact CG2-CG2 3.97Å; V36-S97 VanDerWaalsContact CG1-OG 3.29Å; V36-S97 WeakPolarHBondContact CG1-OG 3.39Å; V36-A98 WeakPolarHBondContact CA-O 3.03Å
37	S	96.8	Very high	94.3	Very high	20 Å²	20	54 Å²	54	14%	0.14	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142	174.4	-69.6	0	0	0	0	111.1	W49 A51 H52 S97 A98	S37-W49 PolarHBondContact OG-NE1 3.05Å; S37-A51 CarbonylContact C-O 3.46Å; S37-A51 VanDerWaalsContact CA-O 3.26Å; S37-A51 WeakPolarHBondContact CA-O 3.45Å; S37-H52 PolarHBondContact OG-ND1 3.22Å; S37-S97 WeakPolarHBondContact O-CA 3.46Å; S37-A98 PolarHBondContact N-O 2.99Å; S37-A98 PolarHBondContact O-N 3.34Å
38	W	96.9	Very high	94.9	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.6	161.6	-75.2	96.6	0	0	0	110.4	L20 C22 L50 A51 L82 Y96	L20-W38 HydrophobicContact CB-CH2 3.72Å; L20-W38 HydrophobicContact CB-CZ2 4.22Å; L20-W38 HydrophobicContact CB-CZ3 4.04Å; L20-W38 HydrophobicContact CD1-CE3 4.3Å; L20-W38 HydrophobicContact CD1-CZ3 3.99Å; C22-W38 HydrophobicContact CB-CH2 3.66Å; C22-W38 HydrophobicContact CB-CZ2 3.65Å; W38-L50 HydrophobicContact CB-CB 4.38Å; W38-L50 PolarHBondContact O-N 3.33Å; W38-A51 PolarHBondContact N-O 3.47Å; W38-L82 HydrophobicContact CB-CD1 4.39Å; W38-L82 HydrophobicContact CB-CD2 3.86Å; W38-L82 HydrophobicContact CD2-CB 3.85Å; W38-L82 HydrophobicContact CD2-CD2 4.12Å; W38-L82 HydrophobicContact CE3-CD2 4.43Å; W38-L82 HydrophobicContact CG-CB 3.87Å; W38-L82 HydrophobicContact CG-CD1 4.29Å; W38-L82 HydrophobicContact CG-CD2 3.88Å; W38-L82 HydrophobicContact CG-CG 4.23Å; W38-L82 HydrophobicContact CZ2-CB 4.3Å; W38-Y96 WeakPolarHBondContact CA-O 3.46Å
39	I	96.4	Very high	95.1	Very high	34 Å²	34	56.4 Å²	56.4	17%	0.174	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.8	-179.6	-61.1	165.8	0	0	0	106.8	L47 E48 Y95 Y96 A98	I39-L47 HydrophobicContact CG2-CB 3.81Å; I39-L47 HydrophobicContact CG2-CD2 3.95Å; I39-L47 HydrophobicContact CG2-CG 4.3Å; I39-E48 CarbonylContact C-O 3.58Å; I39-E48 WeakPolarHBondContact CA-O 3.25Å; I39-Y95 CarbonylContact O-C 3.57Å; I39-Y95 WeakPolarHBondContact O-CA 3.42Å; I39-Y96 PolarHBondContact N-O 2.68Å; I39-Y96 PolarHBondContact O-N 2.91Å; I39-A98 HydrophobicContact CD1-CB 4.12Å
40	R	95.2	Very high	95.3	Very high	14 Å²	14	56.1 Å²	56.1	5%	0.053	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	157	168.8	71.4	175.4	-178.3	-168	2.6	111.7	E48 L50 D91 A93 T94 Y95	R40-E48 HydrophobicContact CG-CB 4.03Å; R40-E48 IonicContact CZ-OE1 3.11Å; R40-E48 IonicContact CZ-OE2 2.93Å; R40-E48 VanDerWaalsContact CZ-OE2 3.26Å; R40-E48 PolarHBondContact N-O 3.37Å; R40-E48 IonicContact NE-OE1 2.94Å; R40-E48 IonicContact NE-OE2 3.84Å; R40-E48 PolarHBondContact NE-OE2 3.18Å; R40-E48 IonicContact NH2-OE1 3.82Å; R40-E48 PolarHBondContact NH2-OE1 2.62Å; R40-E48 VanDerWaalsContact NH2-OE1 3.11Å; R40-E48 IonicContact NH2-OE2 2.73Å; R40-E48 PolarHBondContact NH2-OE2 3.33Å; R40-E48 PolarHBondContact O-N 2.69Å; R40-L50 HydrophobicContact CB-CD1 3.99Å; R40-L50 HydrophobicContact CB-CG 4.47Å; R40-L50 HydrophobicContact CG-CD1 4.04Å; R40-L50 HydrophobicContact CG-CD2 3.95Å; R40-L50 HydrophobicContact CG-CG 4.14Å; R40-D91 IonicContact CZ-OD1 3.26Å; R40-D91 IonicContact NH1-OD1 2.57Å; R40-D91 PolarHBondContact NH1-OD1 3.21Å; R40-A93 HydrophobicContact CB-CB 3.78Å; R40-A93 HydrophobicContact CG-CB 4.19Å; R40-T94 CarbonylContact C-O 3.54Å; R40-T94 VanDerWaalsContact CA-O 3.23Å; R40-T94 WeakPolarHBondContact CA-O 3.2Å; R40-Y95 HydrophobicContact CB-CD1 3.77Å; R40-Y95 HydrophobicContact CB-CE1 3.7Å; R40-Y95 HydrophobicContact CB-CG 4.27Å; R40-Y95 HydrophobicContact CG-CE1 4.47Å
41	Q	95.6	Very high	95.5	Very high	72 Å²	72	52.7 Å²	52.7	34%	0.336	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	99.5	173.7	-167	177.2	11.2	0	0	109.8	K45 L47 A93 T94 Y96	Q41-K45 WeakPolarHBondContact CG-O 3.24Å; Q41-K45 PolarHBondContact NE2-O 2.9Å; Q41-L47 HydrophobicContact CB-CD2 3.92Å; Q41-L47 HydrophobicContact CG-CD2 4.16Å; Q41-A93 VanDerWaalsContact C-CB 3.48Å; Q41-A93 WeakPolarHBondContact O-CA 3.11Å; Q41-A93 WeakPolarHBondContact O-CB 3.49Å; Q41-T94 PolarHBondContact N-O 3.24Å; Q41-T94 PolarHBondContact O-N 2.81Å; Q41-Y96 HydrophobicContact CB-CE2 3.82Å; Q41-Y96 PolarHBondContact OE1-OH 2.73Å
42	P	93.9	Very high	95.7	Very high	14 Å²	14	49.9 Å²	49.9	9%	0.091	30%	0.295	C	S	.	.			trans	-62.6	149	169	-18.8	31.6	0	0	0	110.5	G44 K45 A93	P42-G44 PolarHBondContact O-N 2.92Å; P42-K45 HydrophobicContact CB-CB 4.09Å; P42-K45 HydrophobicContact CB-CD 4Å; P42-K45 HydrophobicContact CB-CG 4.2Å; P42-K45 HydrophobicContact CG-CB 4.32Å; P42-K45 HydrophobicContact CG-CD 4.23Å; P42-K45 PolarHBondContact O-N 2.93Å; P42-A93 HydrophobicContact CG-CB 4.29Å
43	S	92.3	Very high	95.8	Very high	126 Å²	126	42 Å²	42	88%	0.881	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	128.7	178.3	-171.9	0	0	0	0	111.1	K45	S43-K45 VanDerWaalsContact C-N 3.26Å; S43-K45 PolarHBondContact O-N 2.71Å
44	G	95.2	Very high	96	Very high	86 Å²	86	42.9 Å²	42.9	89%	0.887	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	7.4	-178.1	0	0	0	0	0	115.7	P42	P42-G44 PolarHBondContact O-N 2.92Å
45	K	95.4	Very high	96.1	Very high	144 Å²	144	46 Å²	46	63%	0.626	26%	0.262	S	S	*	.	S	Bend	trans	-116.4	164.3	177.2	-60.7	-169.5	-176.9	176.7	0	112	Q41 P42 S43	Q41-K45 WeakPolarHBondContact CG-O 3.24Å; Q41-K45 PolarHBondContact NE2-O 2.9Å; P42-K45 HydrophobicContact CB-CB 4.09Å; P42-K45 HydrophobicContact CB-CD 4Å; P42-K45 HydrophobicContact CB-CG 4.2Å; P42-K45 HydrophobicContact CG-CB 4.32Å; P42-K45 HydrophobicContact CG-CD 4.23Å; P42-K45 PolarHBondContact O-N 2.93Å; S43-K45 VanDerWaalsContact C-N 3.26Å; S43-K45 PolarHBondContact O-N 2.71Å
46	G	95.2	Very high	96.2	Very high	54 Å²	54	50 Å²	50	56%	0.557	28%	0.283	S	S	*	.			trans	-71.3	175.3	171.7	0	0	0	0	0	112.9
47	L	96.1	Very high	96.3	Very high	118 Å²	118	54.1 Å²	54.1	62%	0.618	30%	0.302	S	S	*	.			trans	-66.1	136.4	174.7	-63.5	179.3	0	0	0	111.1	I39 Q41 Y96	I39-L47 HydrophobicContact CG2-CB 3.81Å; I39-L47 HydrophobicContact CG2-CD2 3.95Å; I39-L47 HydrophobicContact CG2-CG 4.3Å; Q41-L47 HydrophobicContact CB-CD2 3.92Å; Q41-L47 HydrophobicContact CG-CD2 4.16Å; L47-Y96 HydrophobicContact CD2-CD2 4.39Å; L47-Y96 HydrophobicContact CD2-CE2 4.31Å
48	E	97	Very high	96.3	Very high	36 Å²	36	56.7 Å²	56.7	17%	0.168	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.2	177.5	-177.9	-177.1	-177.4	0	0	109.5	I39 R40 L50 K62	I39-E48 CarbonylContact C-O 3.58Å; I39-E48 WeakPolarHBondContact CA-O 3.25Å; R40-E48 HydrophobicContact CG-CB 4.03Å; R40-E48 IonicContact CZ-OE1 3.11Å; R40-E48 IonicContact CZ-OE2 2.93Å; R40-E48 VanDerWaalsContact CZ-OE2 3.26Å; R40-E48 PolarHBondContact N-O 3.37Å; R40-E48 IonicContact NE-OE1 2.94Å; R40-E48 IonicContact NE-OE2 3.84Å; R40-E48 PolarHBondContact NE-OE2 3.18Å; R40-E48 IonicContact NH2-OE1 3.82Å; R40-E48 PolarHBondContact NH2-OE1 2.62Å; R40-E48 VanDerWaalsContact NH2-OE1 3.11Å; R40-E48 IonicContact NH2-OE2 2.73Å; R40-E48 PolarHBondContact NH2-OE2 3.33Å; R40-E48 PolarHBondContact O-N 2.69Å; E48-L50 HydrophobicContact CG-CD2 4.48Å; E48-K62 VanDerWaalsContact CD-NZ 3.26Å; E48-K62 HydrophobicContact CG-CD 4.13Å; E48-K62 WeakPolarHBondContact OE1-CD 3.37Å; E48-K62 IonicContact OE1-NZ 2.69Å; E48-K62 PolarHBondContact OE1-NZ 2.94Å
49	W	97.3	Very high	96.4	Very high	90 Å²	90	60.1 Å²	60.1	34%	0.341	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	137.9	174	176	84.1	0	0	0	111.2	S37 A51 H52 H60 K62	S37-W49 PolarHBondContact OG-NE1 3.05Å; W49-A51 VanDerWaalsContact CZ2-C 3.44Å; W49-A51 PolarHBondContact NE1-O 2.98Å; W49-H52 HydrophobicContact CZ2-CB 3.67Å; W49-H60 HydrophobicContact CH2-CB 3.75Å; W49-H60 HydrophobicContact CZ2-CB 3.9Å; W49-K62 HydrophobicContact CE3-CB 4.09Å; W49-K62 HydrophobicContact CZ3-CB 4.11Å; W49-K62 WeakPolarHBondContact O-CD 3.28Å
50	L	97.6	Very high	96.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-53.8	-176.2	-62	-179.5	0	0	0	112.9	W38 R40 E48 Y61 K62 L65 L69 L82 I84 Y95	W38-L50 HydrophobicContact CB-CB 4.38Å; W38-L50 PolarHBondContact O-N 3.33Å; R40-L50 HydrophobicContact CB-CD1 3.99Å; R40-L50 HydrophobicContact CB-CG 4.47Å; R40-L50 HydrophobicContact CG-CD1 4.04Å; R40-L50 HydrophobicContact CG-CD2 3.95Å; R40-L50 HydrophobicContact CG-CG 4.14Å; E48-L50 HydrophobicContact CG-CD2 4.48Å; L50-Y61 CarbonylContact O-C 3.59Å; L50-K62 WeakPolarHBondContact O-CB 3.4Å; L50-K62 PolarHBondContact O-N 2.99Å; L50-L65 HydrophobicContact CD2-CD1 3.6Å; L50-L69 HydrophobicContact CB-CD1 4.17Å; L50-L69 WeakPolarHBondContact O-CD1 3.4Å; L50-L82 HydrophobicContact CD1-CD2 3.86Å; L50-I84 HydrophobicContact CD1-CD1 4.3Å; L50-Y95 HydrophobicContact CD1-CD1 3.89Å; L50-Y95 HydrophobicContact CD1-CE1 3.58Å
51	A	98.3	Very high	96.6	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	159.9	-175.2	0	0	0	0	0	110.9	S37 W38 W49 H60 Y61 I71 L82	S37-A51 CarbonylContact C-O 3.46Å; S37-A51 VanDerWaalsContact CA-O 3.26Å; S37-A51 WeakPolarHBondContact CA-O 3.45Å; W38-A51 PolarHBondContact N-O 3.47Å; W49-A51 VanDerWaalsContact CZ2-C 3.44Å; W49-A51 PolarHBondContact NE1-O 2.98Å; A51-H60 CarbonylContact C-O 3.59Å; A51-H60 WeakPolarHBondContact CA-O 3.48Å; A51-Y61 HydrophobicContact CB-CD1 3.93Å; A51-Y61 HydrophobicContact CB-CE1 4.37Å; A51-I71 HydrophobicContact CB-CB 4.03Å; A51-I71 HydrophobicContact CB-CD1 4.02Å; A51-I71 HydrophobicContact CB-CG2 4.18Å; A51-L82 HydrophobicContact CB-CD1 4.2Å
52	H	97.8	Very high	96.7	Very high	8 Å²	8	63.6 Å²	63.6	4%	0.037	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.8	176	-173.6	85.3	0	0	0	110.3	V36 S37 W49 Y54 K59 H60	V36-H52 PolarHBondContact N-CE1 2.91Å; V36-H52 CarbonylContact O-C 3.52Å; V36-H52 VanDerWaalsContact O-CA 3.29Å; V36-H52 WeakPolarHBondContact O-CA 3.37Å; V36-H52 PolarHBondContact O-ND1 3.15Å; S37-H52 PolarHBondContact OG-ND1 3.22Å; W49-H52 HydrophobicContact CZ2-CB 3.67Å; H52-Y54 AromaticContact CD2-CD2 3.4Å; H52-Y54 VanDerWaalsContact CD2-CD2 3.4Å; H52-Y54 WeakPolarHBondContact CD2-CD2 3.38Å; H52-Y54 AromaticContact CD2-CE2 3.28Å; H52-Y54 WeakPolarHBondContact CD2-CE2 3.3Å; H52-Y54 AromaticContact CD2-CG 3.88Å; H52-Y54 AromaticContact CD2-CZ 3.67Å; H52-Y54 AromaticContact NE2-CD1 3.46Å; H52-Y54 WeakPolarHBondContact NE2-CD1 3.27Å; H52-Y54 AromaticContact NE2-CD2 3.5Å; H52-Y54 AromaticContact NE2-CE1 3.28Å; H52-Y54 VanDerWaalsContact NE2-CE1 3.28Å; H52-Y54 WeakPolarHBondContact NE2-CE1 3.23Å; H52-Y54 AromaticContact NE2-CE2 3.32Å; H52-Y54 VanDerWaalsContact NE2-CE2 3.32Å; H52-Y54 WeakPolarHBondContact NE2-CE2 3.33Å; H52-Y54 AromaticContact NE2-CG 3.55Å; H52-Y54 AromaticContact NE2-CZ 3.19Å; H52-K59 WeakPolarHBondContact O-CA 3.49Å; H52-H60 HydrophobicContact CB-CB 4.3Å; H52-H60 PolarHBondContact N-O 3.41Å; H52-H60 PolarHBondContact O-N 3.27Å
53	I	98.2	Very high	96.9	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.015	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128.1	173	-171	170.1	0	0	0	109.7	G35 V36 D58 K59 I71 K73 V80	G35-I53 CarbonylContact C-O 3.56Å; G35-I53 VanDerWaalsContact CA-O 3.26Å; G35-I53 WeakPolarHBondContact CA-O 3.29Å; V36-I53 HydrophobicContact CB-CG2 4.46Å; V36-I53 PolarHBondContact N-O 2.94Å; V36-I53 PolarHBondContact O-N 3.27Å; I53-D58 WeakPolarHBondContact CA-O 3.46Å; I53-K59 HydrophobicContact CB-CG 4.38Å; I53-K59 HydrophobicContact CD1-CD 4.43Å; I53-K59 HydrophobicContact CD1-CG 4.21Å; I53-K59 HydrophobicContact CG1-CG 3.97Å; I53-I71 HydrophobicContact CB-CD1 3.78Å; I53-I71 HydrophobicContact CB-CG1 4.09Å; I53-I71 HydrophobicContact CB-CG2 4.23Å; I53-I71 HydrophobicContact CG2-CD1 3.56Å; I53-I71 HydrophobicContact CG2-CG1 3.92Å; I53-K73 HydrophobicContact CD1-CB 4.12Å; I53-K73 HydrophobicContact CD1-CD 3.98Å; I53-K73 HydrophobicContact CD1-CG 3.75Å; I53-K73 HydrophobicContact CG1-CD 4.34Å; I53-V80 HydrophobicContact CG2-CG1 3.89Å
54	Y	97.1	Very high	97.1	Very high	59 Å²	59	66.5 Å²	66.5	23%	0.231	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	170.4	176.3	-79.9	-74.1	0	0	0	112.6	M34 H52 D56 E57 D58 K73	M34-Y54 CarbonylContact O-C 3.52Å; M34-Y54 WeakPolarHBondContact O-CA 3.4Å; H52-Y54 AromaticContact CD2-CD2 3.4Å; H52-Y54 VanDerWaalsContact CD2-CD2 3.4Å; H52-Y54 WeakPolarHBondContact CD2-CD2 3.38Å; H52-Y54 AromaticContact CD2-CE2 3.28Å; H52-Y54 WeakPolarHBondContact CD2-CE2 3.3Å; H52-Y54 AromaticContact CD2-CG 3.88Å; H52-Y54 AromaticContact CD2-CZ 3.67Å; H52-Y54 AromaticContact NE2-CD1 3.46Å; H52-Y54 WeakPolarHBondContact NE2-CD1 3.27Å; H52-Y54 AromaticContact NE2-CD2 3.5Å; H52-Y54 AromaticContact NE2-CE1 3.28Å; H52-Y54 VanDerWaalsContact NE2-CE1 3.28Å; H52-Y54 WeakPolarHBondContact NE2-CE1 3.23Å; H52-Y54 AromaticContact NE2-CE2 3.32Å; H52-Y54 VanDerWaalsContact NE2-CE2 3.32Å; H52-Y54 WeakPolarHBondContact NE2-CE2 3.33Å; H52-Y54 AromaticContact NE2-CG 3.55Å; H52-Y54 AromaticContact NE2-CZ 3.19Å; Y54-D56 WeakPolarHBondContact CB-OD1 3.4Å; Y54-D56 PolarHBondContact O-N 2.8Å; Y54-E57 PolarHBondContact O-N 2.73Å; Y54-D58 HydrophobicContact CD2-CB 4.27Å; Y54-D58 PolarHBondContact N-O 2.85Å; Y54-K73 PolarHBondContact O-NZ 3.39Å
55	W	95.9	Very high	97.1	Very high	84 Å²	84	63.2 Å²	63.2	32%	0.318	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.8	177.4	70.1	-79.3	0	0	0	113.5	L29 T31 F32 M34 K73	L29-W55 WeakPolarHBondContact O-CA 3.18Å; T31-W55 WeakPolarHBondContact O-CB 3.49Å; F32-W55 HydrophobicContact CD2-CD2 4.12Å; F32-W55 AromaticContact CD2-CE2 3.49Å; F32-W55 VanDerWaalsContact CD2-CE2 3.49Å; F32-W55 HydrophobicContact CD2-CE3 4.35Å; F32-W55 AromaticContact CD2-CH2 3.44Å; F32-W55 HydrophobicContact CD2-CH2 3.44Å; F32-W55 VanDerWaalsContact CD2-CH2 3.44Å; F32-W55 AromaticContact CD2-CZ2 3.14Å; F32-W55 HydrophobicContact CD2-CZ2 3.14Å; F32-W55 HydrophobicContact CD2-CZ3 4.03Å; F32-W55 AromaticContact CE2-CE2 3.82Å; F32-W55 AromaticContact CE2-CH2 3.69Å; F32-W55 HydrophobicContact CE2-CH2 3.69Å; F32-W55 AromaticContact CE2-CZ2 3.17Å; F32-W55 HydrophobicContact CE2-CZ2 3.17Å; F32-W55 HydrophobicContact CG-CZ2 4.21Å; F32-W55 HydrophobicContact CZ-CZ2 4.25Å; M34-W55 HydrophobicContact CB-CB 4.37Å; M34-W55 WeakPolarHBondContact O-CB 3.48Å; M34-W55 PolarHBondContact O-N 2.57Å; W55-K73 PolarHBondContact O-NZ 2.91Å
56	D	96.8	Very high	97.2	Very high	86 Å²	86	62.8 Å²	62.8	46%	0.46	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	15.3	-178.5	60.4	-5.8	0	0	0	114.4	Y54 D58	Y54-D56 WeakPolarHBondContact CB-OD1 3.4Å; Y54-D56 PolarHBondContact O-N 2.8Å; D56-D58 VanDerWaalsContact C-N 3.25Å; D56-D58 PolarHBondContact O-N 2.93Å; D56-D58 WeakPolarHBondContact OD1-CB 3.38Å; D56-D58 PolarHBondContact OD1-N 3.11Å
57	E	96.8	Very high	97.3	Very high	87 Å²	87	65.8 Å²	65.8	41%	0.407	33%	0.333	S	S	.	.			trans	70.1	9.8	-176.5	-62.7	-72.6	148.2	0	0	115.3	Y54 K59 K73	Y54-E57 PolarHBondContact O-N 2.73Å; E57-K59 WeakPolarHBondContact O-CE 3.46Å; E57-K59 WeakPolarHBondContact O-CG 3.35Å; E57-K59 PolarHBondContact O-N 2.76Å; E57-K59 WeakPolarHBondContact OE2-CE 3.49Å; E57-K59 IonicContact OE2-NZ 3.81Å; E57-K59 PolarHBondContact OE2-NZ 2.99Å; E57-K73 WeakPolarHBondContact OE1-CE 3.26Å; E57-K73 VanDerWaalsContact OE1-CG 3.29Å; E57-K73 WeakPolarHBondContact OE1-CG 3.29Å; E57-K73 IonicContact OE1-NZ 4Å
58	D	97.8	Very high	97.3	Very high	74 Å²	74	62 Å²	62	40%	0.396	31%	0.31	S	S	.	.			trans	-65.4	129	169.7	-176.1	32	0	0	0	110.7	I53 Y54 D56 H60	I53-D58 WeakPolarHBondContact CA-O 3.46Å; Y54-D58 HydrophobicContact CD2-CB 4.27Å; Y54-D58 PolarHBondContact N-O 2.85Å; D56-D58 VanDerWaalsContact C-N 3.25Å; D56-D58 PolarHBondContact O-N 2.93Å; D56-D58 WeakPolarHBondContact OD1-CB 3.38Å; D56-D58 PolarHBondContact OD1-N 3.11Å; D58-H60 IonicContact OD1-NE2 3.56Å; D58-H60 IonicContact OD2-CD2 3.63Å; D58-H60 IonicContact OD2-CE1 3.68Å; D58-H60 IonicContact OD2-NE2 2.72Å; D58-H60 PolarHBondContact OD2-NE2 2.99Å
59	K	98.3	Very high	97.3	Very high	73 Å²	73	60.5 Å²	60.5	32%	0.317	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.3	-168.2	-71.7	165.2	-160.3	177.7	0	111.2	H52 I53 E57 Y61 I71	H52-K59 WeakPolarHBondContact O-CA 3.49Å; I53-K59 HydrophobicContact CB-CG 4.38Å; I53-K59 HydrophobicContact CD1-CD 4.43Å; I53-K59 HydrophobicContact CD1-CG 4.21Å; I53-K59 HydrophobicContact CG1-CG 3.97Å; E57-K59 WeakPolarHBondContact O-CE 3.46Å; E57-K59 WeakPolarHBondContact O-CG 3.35Å; E57-K59 PolarHBondContact O-N 2.76Å; E57-K59 WeakPolarHBondContact OE2-CE 3.49Å; E57-K59 IonicContact OE2-NZ 3.81Å; E57-K59 PolarHBondContact OE2-NZ 2.99Å; K59-Y61 HydrophobicContact CB-CE2 3.86Å; K59-I71 HydrophobicContact CB-CG2 4.3Å; K59-I71 HydrophobicContact CD-CG2 4.26Å; K59-I71 HydrophobicContact CG-CG2 3.93Å
60	H	98.2	Very high	97.4	Very high	83 Å²	83	59.5 Å²	59.5	38%	0.384	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.3	175.7	-61.1	-91.5	0	0	0	109.7	W49 A51 H52 D58	W49-H60 HydrophobicContact CH2-CB 3.75Å; W49-H60 HydrophobicContact CZ2-CB 3.9Å; A51-H60 CarbonylContact C-O 3.59Å; A51-H60 WeakPolarHBondContact CA-O 3.48Å; H52-H60 HydrophobicContact CB-CB 4.3Å; H52-H60 PolarHBondContact N-O 3.41Å; H52-H60 PolarHBondContact O-N 3.27Å; D58-H60 IonicContact OD1-NE2 3.56Å; D58-H60 IonicContact OD2-CD2 3.63Å; D58-H60 IonicContact OD2-CE1 3.68Å; D58-H60 IonicContact OD2-NE2 2.72Å; D58-H60 PolarHBondContact OD2-NE2 2.99Å
61	Y	98.5	Very high	97.4	Very high	53 Å²	53	59.6 Å²	59.6	21%	0.208	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.3	-179.8	-58.1	-90.1	0	0	0	110.5	L50 A51 K59 P63 K66 L69 I71	L50-Y61 CarbonylContact O-C 3.59Å; A51-Y61 HydrophobicContact CB-CD1 3.93Å; A51-Y61 HydrophobicContact CB-CE1 4.37Å; K59-Y61 HydrophobicContact CB-CE2 3.86Å; Y61-P63 WeakPolarHBondContact O-CD 3.47Å; Y61-K66 HydrophobicContact CD2-CG 4.41Å; Y61-K66 HydrophobicContact CG-CG 4.32Å; Y61-L69 HydrophobicContact CD1-CB 3.73Å; Y61-L69 HydrophobicContact CE1-CB 4.23Å; Y61-L69 WeakPolarHBondContact CE1-O 3.12Å; Y61-I71 HydrophobicContact CE1-CB 4.35Å; Y61-I71 HydrophobicContact CE1-CG2 3.79Å
62	K	97.8	Very high	97.4	Very high	57 Å²	57	61.8 Å²	61.8	25%	0.248	32%	0.323	C	S	.	.			trans	-60.5	120.3	170.2	-175	175.3	-176.4	175.1	0	108.6	E48 W49 L50 S64 L65 K66	E48-K62 VanDerWaalsContact CD-NZ 3.26Å; E48-K62 HydrophobicContact CG-CD 4.13Å; E48-K62 WeakPolarHBondContact OE1-CD 3.37Å; E48-K62 IonicContact OE1-NZ 2.69Å; E48-K62 PolarHBondContact OE1-NZ 2.94Å; W49-K62 HydrophobicContact CE3-CB 4.09Å; W49-K62 HydrophobicContact CZ3-CB 4.11Å; W49-K62 WeakPolarHBondContact O-CD 3.28Å; L50-K62 WeakPolarHBondContact O-CB 3.4Å; L50-K62 PolarHBondContact O-N 2.99Å; K62-S64 VanDerWaalsContact C-N 3.27Å; K62-S64 VanDerWaalsContact CE-OG 3.24Å; K62-S64 WeakPolarHBondContact CE-OG 3.49Å; K62-S64 PolarHBondContact O-N 2.76Å; K62-S64 VanDerWaalsContact O-N 3.15Å; K62-L65 HydrophobicContact CB-CB 4.45Å; K62-L65 HydrophobicContact CD-CD1 4.03Å; K62-L65 HydrophobicContact CD-CG 4.32Å; K62-L65 CarbonylContact O-C 3.57Å; K62-L65 PolarHBondContact O-N 3.13Å; K62-K66 PolarHBondContact O-N 2.82Å
63	P	97.8	Very high	97.3	Very high	115 Å²	115	62.6 Å²	62.6	75%	0.747	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-53.6	-41.9	-172.9	-30.7	36.2	0	0	0	113.9	Y61 L65 K66	Y61-P63 WeakPolarHBondContact O-CD 3.47Å; P63-L65 PolarHBondContact O-N 2.82Å; P63-K66 PolarHBondContact O-N 2.87Å
64	S	95.9	Very high	97.2	Very high	87 Å²	87	64.6 Å²	64.6	61%	0.608	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-69.2	-13.9	-179.2	65.4	0	0	0	0	114.8	K62	K62-S64 VanDerWaalsContact C-N 3.27Å; K62-S64 VanDerWaalsContact CE-OG 3.24Å; K62-S64 WeakPolarHBondContact CE-OG 3.49Å; K62-S64 PolarHBondContact O-N 2.76Å; K62-S64 VanDerWaalsContact O-N 3.15Å
65	L	96	Very high	97.1	Very high	16 Å²	16	65 Å²	65	8%	0.084	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-121.1	-1.7	-177.2	-61.5	177.9	0	0	0	112.6	L50 K62 P63 S67 R68 L69	L50-L65 HydrophobicContact CD2-CD1 3.6Å; K62-L65 HydrophobicContact CB-CB 4.45Å; K62-L65 HydrophobicContact CD-CD1 4.03Å; K62-L65 HydrophobicContact CD-CG 4.32Å; K62-L65 CarbonylContact O-C 3.57Å; K62-L65 PolarHBondContact O-N 3.13Å; P63-L65 PolarHBondContact O-N 2.82Å; L65-S67 PolarHBondContact O-N 2.72Å; L65-R68 PolarHBondContact O-N 2.85Å; L65-L69 HydrophobicContact CB-CD1 3.57Å; L65-L69 HydrophobicContact CB-CG 3.89Å; L65-L69 HydrophobicContact CD1-CD1 4.45Å; L65-L69 WeakPolarHBondContact O-CG 3.41Å; L65-L69 PolarHBondContact O-N 3.33Å
66	K	96.8	Very high	97	Very high	136 Å²	136	66.1 Å²	66.1	59%	0.591	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-35.5	-170.3	-178.1	175	179.4	179.1	0	113.7	Y61 K62 P63 R68	Y61-K66 HydrophobicContact CD2-CG 4.41Å; Y61-K66 HydrophobicContact CG-CG 4.32Å; K62-K66 PolarHBondContact O-N 2.82Å; P63-K66 PolarHBondContact O-N 2.87Å; K66-R68 PolarHBondContact O-N 2.84Å
67	S	97	Very high	96.8	Very high	116 Å²	116	67 Å²	67	81%	0.811	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.9	179.9	56.2	0	0	0	0	114.4	L65	L65-S67 PolarHBondContact O-N 2.72Å
68	R	96.8	Very high	96.7	Very high	38 Å²	38	64 Å²	64	14%	0.143	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-14.8	-177.1	-56.1	-167.4	-61	129	-3.6	113.6	L65 K66 I84 T85 T86 D91	L65-R68 PolarHBondContact O-N 2.85Å; K66-R68 PolarHBondContact O-N 2.84Å; R68-I84 WeakPolarHBondContact O-CA 3.36Å; R68-T85 WeakPolarHBondContact CA-OG1 3.44Å; R68-T85 WeakPolarHBondContact CD-O 3.29Å; R68-T85 PolarHBondContact NH1-O 3.22Å; R68-T85 PolarHBondContact O-N 2.88Å; R68-T85 PolarHBondContact O-OG1 3.23Å; R68-T86 VanDerWaalsContact CD-OG1 3.28Å; R68-T86 WeakPolarHBondContact CD-OG1 3.2Å; R68-T86 PolarHBondContact NH1-O 2.72Å; R68-D91 IonicContact CZ-OD1 3.82Å; R68-D91 IonicContact CZ-OD2 3.45Å; R68-D91 IonicContact NH1-OD1 3.77Å; R68-D91 IonicContact NH1-OD2 2.71Å; R68-D91 PolarHBondContact NH1-OD2 2.85Å; R68-D91 IonicContact NH2-OD1 2.92Å; R68-D91 PolarHBondContact NH2-OD1 2.76Å; R68-D91 IonicContact NH2-OD2 3.24Å; R68-D91 PolarHBondContact NH2-OD2 2.8Å
69	L	97.9	Very high	96.6	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.031	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.8	-173.7	-64.1	177.4	0	0	0	111.5	L50 Y61 L65 L82 K83 I84	L50-L69 HydrophobicContact CB-CD1 4.17Å; L50-L69 WeakPolarHBondContact O-CD1 3.4Å; Y61-L69 HydrophobicContact CD1-CB 3.73Å; Y61-L69 HydrophobicContact CE1-CB 4.23Å; Y61-L69 WeakPolarHBondContact CE1-O 3.12Å; L65-L69 HydrophobicContact CB-CD1 3.57Å; L65-L69 HydrophobicContact CB-CG 3.89Å; L65-L69 HydrophobicContact CD1-CD1 4.45Å; L65-L69 WeakPolarHBondContact O-CG 3.41Å; L65-L69 PolarHBondContact O-N 3.33Å; L69-L82 HydrophobicContact CD2-CD1 4.35Å; L69-K83 WeakPolarHBondContact CA-O 3.27Å; L69-I84 HydrophobicContact CD2-CB 4.33Å; L69-I84 HydrophobicContact CD2-CD1 4Å; L69-I84 HydrophobicContact CD2-CG1 3.73Å; L69-I84 HydrophobicContact CD2-CG2 4.12Å
70	T	98.2	Very high	96.4	Very high	69 Å²	69	59.3 Å²	59.3	42%	0.423	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	124.8	166.6	-59.9	0	0	0	0	108.9	L82 K83	T70-L82 CarbonylContact O-C 3.44Å; T70-L82 WeakPolarHBondContact O-CA 3.36Å; T70-K83 PolarHBondContact N-O 3.03Å; T70-K83 PolarHBondContact O-N 3.17Å
71	I	98.2	Very high	96.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.1	172	-166.6	172.9	0	0	0	109	A51 I53 K59 Y61 V80 F81	A51-I71 HydrophobicContact CB-CB 4.03Å; A51-I71 HydrophobicContact CB-CD1 4.02Å; A51-I71 HydrophobicContact CB-CG2 4.18Å; I53-I71 HydrophobicContact CB-CD1 3.78Å; I53-I71 HydrophobicContact CB-CG1 4.09Å; I53-I71 HydrophobicContact CB-CG2 4.23Å; I53-I71 HydrophobicContact CG2-CD1 3.56Å; I53-I71 HydrophobicContact CG2-CG1 3.92Å; K59-I71 HydrophobicContact CB-CG2 4.3Å; K59-I71 HydrophobicContact CD-CG2 4.26Å; K59-I71 HydrophobicContact CG-CG2 3.93Å; Y61-I71 HydrophobicContact CE1-CB 4.35Å; Y61-I71 HydrophobicContact CE1-CG2 3.79Å; I71-V80 HydrophobicContact CD1-CG1 4.16Å; I71-V80 HydrophobicContact CG1-CG1 4.02Å; I71-F81 WeakPolarHBondContact CA-O 3.35Å; I71-F81 WeakPolarHBondContact CG1-O 3.31Å
72	S	97.8	Very high	96.3	Very high	46 Å²	46	55.4 Å²	55.4	32%	0.322	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	166.8	175.8	59.9	0	0	0	0	109.8	V80 F81	S72-V80 WeakPolarHBondContact O-CA 3.37Å; S72-V80 WeakPolarHBondContact O-CG1 2.82Å; S72-F81 PolarHBondContact N-O 2.88Å; S72-F81 VanDerWaalsContact N-O 3.13Å; S72-F81 PolarHBondContact O-N 3.5Å
73	K	96.2	Very high	96.2	Very high	26 Å²	26	57.7 Å²	57.7	11%	0.113	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.7	175	64.8	-179.5	-177.1	176.6	0	111.6	L29 I53 Y54 W55 E57 T75 Q79 V80	L29-K73 HydrophobicContact CB-CD 4.29Å; L29-K73 HydrophobicContact CD1-CB 4.22Å; L29-K73 PolarHBondContact O-NZ 3.37Å; L29-K73 VanDerWaalsContact O-NZ 3.09Å; I53-K73 HydrophobicContact CD1-CB 4.12Å; I53-K73 HydrophobicContact CD1-CD 3.98Å; I53-K73 HydrophobicContact CD1-CG 3.75Å; I53-K73 HydrophobicContact CG1-CD 4.34Å; Y54-K73 PolarHBondContact O-NZ 3.39Å; W55-K73 PolarHBondContact O-NZ 2.91Å; E57-K73 WeakPolarHBondContact OE1-CE 3.26Å; E57-K73 VanDerWaalsContact OE1-CG 3.29Å; E57-K73 WeakPolarHBondContact OE1-CG 3.29Å; E57-K73 IonicContact OE1-NZ 4Å; K73-T75 HydrophobicContact CD-CG2 4.15Å; K73-T75 HydrophobicContact CG-CG2 4.44Å; K73-Q79 CarbonylContact C-O 3.57Å; K73-Q79 VanDerWaalsContact CA-O 3.23Å; K73-Q79 WeakPolarHBondContact CA-O 3.43Å; K73-Q79 WeakPolarHBondContact CB-O 3.23Å; K73-V80 HydrophobicContact CB-CG2 4.16Å
74	D	95.7	Very high	96.2	Very high	45 Å²	45	52.3 Å²	52.3	24%	0.241	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	105.2	167.7	175.7	-8.2	0	0	0	106.8	S76 N77 N78 Q79 F81	D74-S76 VanDerWaalsContact C-N 3.3Å; D74-S76 WeakPolarHBondContact OD1-CA 3.26Å; D74-S76 WeakPolarHBondContact OD1-CB 3.35Å; D74-S76 PolarHBondContact OD1-N 2.8Å; D74-N77 PolarHBondContact OD1-N 2.96Å; D74-N77 VanDerWaalsContact OD1-N 3.09Å; D74-N77 PolarHBondContact OD2-ND2 3.29Å; D74-N78 WeakPolarHBondContact O-CA 3.29Å; D74-N78 PolarHBondContact O-N 2.94Å; D74-Q79 HydrophobicContact CB-CB 4.46Å; D74-Q79 PolarHBondContact N-O 2.82Å; D74-Q79 PolarHBondContact O-N 2.91Å; D74-F81 HydrophobicContact CB-CE2 3.76Å; D74-F81 HydrophobicContact CB-CZ 4.34Å
75	T	94.4	Very high	96.2	Very high	66 Å²	66	50.5 Å²	50.5	41%	0.405	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-25	-178.8	50.4	0	0	0	0	112.3	L29 K73	L29-T75 HydrophobicContact CB-CG2 4.11Å; K73-T75 HydrophobicContact CD-CG2 4.15Å; K73-T75 HydrophobicContact CG-CG2 4.44Å
76	S	94.1	Very high	96.1	Very high	109 Å²	109	53.5 Å²	53.5	76%	0.762	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-39.6	178.2	-60.1	0	0	0	0	111.6	D74	D74-S76 VanDerWaalsContact C-N 3.3Å; D74-S76 WeakPolarHBondContact OD1-CA 3.26Å; D74-S76 WeakPolarHBondContact OD1-CB 3.35Å; D74-S76 PolarHBondContact OD1-N 2.8Å
77	N	93.7	Very high	95.9	Very high	104 Å²	104	47.5 Å²	47.5	56%	0.556	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-0.1	176.4	-67.9	-59	0	0	0	113.9	D74 Q79	D74-N77 PolarHBondContact OD1-N 2.96Å; D74-N77 VanDerWaalsContact OD1-N 3.09Å; D74-N77 PolarHBondContact OD2-ND2 3.29Å; N77-Q79 VanDerWaalsContact C-N 3.33Å; N77-Q79 HydrophobicContact CB-CG 4.22Å; N77-Q79 PolarHBondContact O-N 3.09Å
78	N	93.1	Very high	95.6	Very high	23 Å²	23	45.5 Å²	45.5	12%	0.123	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	46.4	-178	-154.7	40.8	0	0	0	113.4	F24 F27 L29 D74	F24-N78 VanDerWaalsContact C-ND2 3.29Å; F24-N78 WeakPolarHBondContact CB-ND2 3.38Å; F24-N78 PolarHBondContact N-O 2.85Å; F24-N78 PolarHBondContact O-ND2 3.21Å; F27-N78 VanDerWaalsContact O-CG 3.32Å; F27-N78 PolarHBondContact O-ND2 3.43Å; F27-N78 PolarHBondContact O-OD1 2.91Å; L29-N78 VanDerWaalsContact CG-OD1 3.31Å; L29-N78 WeakPolarHBondContact CG-OD1 3.4Å; L29-N78 PolarHBondContact N-OD1 3.04Å; L29-N78 VanDerWaalsContact N-OD1 3.08Å; D74-N78 WeakPolarHBondContact O-CA 3.29Å; D74-N78 PolarHBondContact O-N 2.94Å
79	Q	95.4	Very high	95.3	Very high	50 Å²	50	49.5 Å²	49.5	23%	0.234	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.6	-175.8	-74.5	177.9	-14.8	0	0	112.1	T21 C22 S23 L29 K73 D74 N77 F81	T21-Q79 HydrophobicContact CG2-CB 4.24Å; T21-Q79 HydrophobicContact CG2-CG 4.11Å; C22-Q79 CarbonylContact O-C 3.56Å; C22-Q79 VanDerWaalsContact O-CA 3.28Å; C22-Q79 WeakPolarHBondContact O-CA 3.32Å; S23-Q79 WeakPolarHBondContact OG-CG 3.33Å; S23-Q79 PolarHBondContact OG-NE2 2.91Å; L29-Q79 WeakPolarHBondContact CD1-O 3.47Å; K73-Q79 CarbonylContact C-O 3.57Å; K73-Q79 VanDerWaalsContact CA-O 3.23Å; K73-Q79 WeakPolarHBondContact CA-O 3.43Å; K73-Q79 WeakPolarHBondContact CB-O 3.23Å; D74-Q79 HydrophobicContact CB-CB 4.46Å; D74-Q79 PolarHBondContact N-O 2.82Å; D74-Q79 PolarHBondContact O-N 2.91Å; N77-Q79 VanDerWaalsContact C-N 3.33Å; N77-Q79 HydrophobicContact CB-CG 4.22Å; N77-Q79 PolarHBondContact O-N 3.09Å; Q79-F81 HydrophobicContact CB-CE1 4.44Å; Q79-F81 HydrophobicContact CB-CE2 3.88Å; Q79-F81 HydrophobicContact CB-CZ 3.72Å
80	V	95.7	Very high	95	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.1	169.3	-176.5	0	0	0	0	108.3	C22 F24 L29 V36 I53 I71 S72 K73	C22-V80 PolarHBondContact N-O 2.83Å; C22-V80 PolarHBondContact O-N 2.94Å; F24-V80 HydrophobicContact CE2-CB 4.5Å; F24-V80 HydrophobicContact CE2-CG2 3.99Å; L29-V80 HydrophobicContact CD1-CG2 3.61Å; L29-V80 HydrophobicContact CD2-CG2 3.55Å; L29-V80 HydrophobicContact CG-CG2 4.26Å; V36-V80 HydrophobicContact CB-CG1 4.43Å; V36-V80 HydrophobicContact CB-CG2 3.95Å; V36-V80 HydrophobicContact CG1-CB 4.18Å; V36-V80 HydrophobicContact CG1-CG1 4.1Å; V36-V80 HydrophobicContact CG1-CG2 4.01Å; V36-V80 HydrophobicContact CG2-CG2 3.97Å; I53-V80 HydrophobicContact CG2-CG1 3.89Å; I71-V80 HydrophobicContact CD1-CG1 4.16Å; I71-V80 HydrophobicContact CG1-CG1 4.02Å; S72-V80 WeakPolarHBondContact O-CA 3.37Å; S72-V80 WeakPolarHBondContact O-CG1 2.82Å; K73-V80 HydrophobicContact CB-CG2 4.16Å
81	F	96.4	Very high	94.7	Very high	53 Å²	53	49.2 Å²	49.2	23%	0.232	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.2	-177.3	-52.8	-89.1	0	0	0	110.1	L20 T21 I71 S72 D74 Q79	L20-F81 VanDerWaalsContact O-CA 3.29Å; L20-F81 WeakPolarHBondContact O-CA 3.3Å; T21-F81 HydrophobicContact CG2-CD1 3.87Å; T21-F81 HydrophobicContact CG2-CE1 3.55Å; T21-F81 HydrophobicContact CG2-CZ 4.3Å; T21-F81 WeakPolarHBondContact OG1-CD1 3.4Å; I71-F81 WeakPolarHBondContact CA-O 3.35Å; I71-F81 WeakPolarHBondContact CG1-O 3.31Å; S72-F81 PolarHBondContact N-O 2.88Å; S72-F81 VanDerWaalsContact N-O 3.13Å; S72-F81 PolarHBondContact O-N 3.5Å; D74-F81 HydrophobicContact CB-CE2 3.76Å; D74-F81 HydrophobicContact CB-CZ 4.34Å; Q79-F81 HydrophobicContact CB-CE1 4.44Å; Q79-F81 HydrophobicContact CB-CE2 3.88Å; Q79-F81 HydrophobicContact CB-CZ 3.72Å
82	L	97.4	Very high	94.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.9	166.8	-176.9	71.1	0	0	0	108.9	S19 L20 W38 L50 A51 L69 T70 I84 Y95	S19-L82 WeakPolarHBondContact CA-O 3.44Å; L20-L82 HydrophobicContact CB-CB 4.37Å; L20-L82 HydrophobicContact CD1-CD2 4.31Å; L20-L82 PolarHBondContact N-O 3.02Å; L20-L82 PolarHBondContact O-N 3.43Å; W38-L82 HydrophobicContact CB-CD1 4.39Å; W38-L82 HydrophobicContact CB-CD2 3.86Å; W38-L82 HydrophobicContact CD2-CB 3.85Å; W38-L82 HydrophobicContact CD2-CD2 4.12Å; W38-L82 HydrophobicContact CE3-CD2 4.43Å; W38-L82 HydrophobicContact CG-CB 3.87Å; W38-L82 HydrophobicContact CG-CD1 4.29Å; W38-L82 HydrophobicContact CG-CD2 3.88Å; W38-L82 HydrophobicContact CG-CG 4.23Å; W38-L82 HydrophobicContact CZ2-CB 4.3Å; L50-L82 HydrophobicContact CD1-CD2 3.86Å; A51-L82 HydrophobicContact CB-CD1 4.2Å; L69-L82 HydrophobicContact CD2-CD1 4.35Å; T70-L82 CarbonylContact O-C 3.44Å; T70-L82 WeakPolarHBondContact O-CA 3.36Å; L82-I84 HydrophobicContact CD2-CD1 4.07Å; L82-I84 HydrophobicContact CD2-CG1 4.11Å; L82-I84 HydrophobicContact CG-CG1 4.21Å; L82-Y95 HydrophobicContact CD2-CD1 4.4Å
83	K	96.6	Very high	94.2	Very high	105 Å²	105	53.2 Å²	53.2	46%	0.457	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.7	164.7	-62	-175.7	177.6	178.4	0	110.2	T17 L18 L69 T70	T17-K83 HydrophobicContact CG2-CB 4.37Å; L18-K83 CarbonylContact O-C 3.56Å; L18-K83 VanDerWaalsContact O-CA 3.25Å; L18-K83 WeakPolarHBondContact O-CA 3.42Å; L69-K83 WeakPolarHBondContact CA-O 3.27Å; T70-K83 PolarHBondContact N-O 3.03Å; T70-K83 PolarHBondContact O-N 3.17Å
84	I	96.1	Very high	94.1	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	109.7	170.2	-43.1	-170	0	0	0	106.9	T17 L18 L50 R68 L69 L82 V87 Y95	T17-I84 CarbonylContact C-O 3.55Å; T17-I84 WeakPolarHBondContact CA-O 3.35Å; L18-I84 HydrophobicContact CB-CB 4.27Å; L18-I84 HydrophobicContact CD2-CD1 4.12Å; L18-I84 HydrophobicContact CD2-CG1 4.46Å; L18-I84 PolarHBondContact N-O 2.72Å; L18-I84 PolarHBondContact O-N 3.49Å; L50-I84 HydrophobicContact CD1-CD1 4.3Å; R68-I84 WeakPolarHBondContact O-CA 3.36Å; L69-I84 HydrophobicContact CD2-CB 4.33Å; L69-I84 HydrophobicContact CD2-CD1 4Å; L69-I84 HydrophobicContact CD2-CG1 3.73Å; L69-I84 HydrophobicContact CD2-CG2 4.12Å; L82-I84 HydrophobicContact CD2-CD1 4.07Å; L82-I84 HydrophobicContact CD2-CG1 4.11Å; L82-I84 HydrophobicContact CG-CG1 4.21Å; I84-V87 HydrophobicContact CB-CG1 4.18Å; I84-V87 HydrophobicContact CG2-CG1 4.21Å; I84-V87 WeakPolarHBondContact O-CG1 3.44Å; I84-Y95 HydrophobicContact CD1-CE1 3.61Å
85	T	96.3	Very high	94	Very high	50 Å²	50	54.3 Å²	54.3	31%	0.307	32%	0.319	S	S	.	.	S	Bend	trans	-80.4	156.2	177	60.4	0	0	0	0	110.6	T17 R68 V87	T17-T85 HydrophobicContact CG2-CG2 4.41Å; R68-T85 WeakPolarHBondContact CA-OG1 3.44Å; R68-T85 WeakPolarHBondContact CD-O 3.29Å; R68-T85 PolarHBondContact NH1-O 3.22Å; R68-T85 PolarHBondContact O-N 2.88Å; R68-T85 PolarHBondContact O-OG1 3.23Å; T85-V87 PolarHBondContact O-N 3.39Å
86	T	93.6	Very high	94	Very high	78 Å²	78	55.5 Å²	55.5	48%	0.479	32%	0.317	S	S	.	.	S	Bend	trans	47.8	58	175.8	64.3	0	0	0	0	111.7	Q16 R68	Q16-T86 PolarHBondContact O-N 3.24Å; R68-T86 VanDerWaalsContact CD-OG1 3.28Å; R68-T86 WeakPolarHBondContact CD-OG1 3.2Å; R68-T86 PolarHBondContact NH1-O 2.72Å
87	V	92.8	Very high	94	Very high	11 Å²	11	51 Å²	51	7%	0.067	29%	0.285	C	S	.	.			trans	-64.5	149.3	-178.4	-60.4	0	0	0	0	111.4	L12 P14 S15 Q16 L18 I84 T85 D91	L12-V87 HydrophobicContact CB-CG2 4.16Å; L12-V87 HydrophobicContact CD1-CG2 4.28Å; P14-V87 CarbonylContact C-O 3.55Å; P14-V87 VanDerWaalsContact CA-O 3.31Å; P14-V87 WeakPolarHBondContact CA-O 3.28Å; S15-V87 PolarHBondContact N-O 3.26Å; Q16-V87 HydrophobicContact CB-CG2 4.36Å; Q16-V87 WeakPolarHBondContact O-CG2 3.21Å; Q16-V87 PolarHBondContact O-N 3.09Å; L18-V87 HydrophobicContact CB-CG1 3.74Å; I84-V87 HydrophobicContact CB-CG1 4.18Å; I84-V87 HydrophobicContact CG2-CG1 4.21Å; I84-V87 WeakPolarHBondContact O-CG1 3.44Å; T85-V87 PolarHBondContact O-N 3.39Å; V87-D91 VanDerWaalsContact CA-OD2 3.3Å; V87-D91 WeakPolarHBondContact CA-OD2 3.4Å; V87-D91 HydrophobicContact CB-CB 4.44Å
88	D	91.5	Very high	94	Very high	74 Å²	74	47.8 Å²	47.8	40%	0.396	27%	0.273	S	S	.	.			trans	-131.8	-176.5	173.7	67.6	26.7	0	0	0	111.7	A90 D91	D88-A90 PolarHBondContact O-N 2.82Å; D88-A90 VanDerWaalsContact OD1-CA 3.32Å; D88-A90 WeakPolarHBondContact OD1-CA 3.32Å; D88-A90 WeakPolarHBondContact OD1-CB 3.28Å; D88-A90 PolarHBondContact OD1-N 3.18Å; D88-D91 PolarHBondContact N-OD2 2.86Å; D88-D91 PolarHBondContact O-N 3.47Å; D88-D91 VanDerWaalsContact O-N 3.11Å; D88-D91 PolarHBondContact OD1-N 3.45Å
89	T	89.9	Confident	93.9	Very high	122 Å²	122	53.5 Å²	53.5	75%	0.748	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-62.2	-28.7	179.7	51.2	0	0	0	0	112.9	D91 T92	T89-D91 PolarHBondContact O-N 3.08Å; T89-T92 WeakPolarHBondContact O-CB 3.4Å; T89-T92 PolarHBondContact O-N 3.12Å; T89-T92 PolarHBondContact O-OG1 3.11Å
90	A	91	Very high	93.4	Very high	59 Å²	59	60.5 Å²	60.5	49%	0.488	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-72.6	-15.5	177.8	0	0	0	0	0	112.9	D88 T92	D88-A90 PolarHBondContact O-N 2.82Å; D88-A90 VanDerWaalsContact OD1-CA 3.32Å; D88-A90 WeakPolarHBondContact OD1-CA 3.32Å; D88-A90 WeakPolarHBondContact OD1-CB 3.28Å; D88-A90 PolarHBondContact OD1-N 3.18Å; A90-T92 VanDerWaalsContact C-N 3.29Å
91	D	92.8	Very high	93.3	Very high	9 Å²	9	63.6 Å²	63.6	5%	0.048	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-84.3	-0.9	172.5	-57.8	-45.3	0	0	0	113.2	R40 R68 V87 D88 T89 A93 Y95	R40-D91 IonicContact CZ-OD1 3.26Å; R40-D91 IonicContact NH1-OD1 2.57Å; R40-D91 PolarHBondContact NH1-OD1 3.21Å; R68-D91 IonicContact CZ-OD1 3.82Å; R68-D91 IonicContact CZ-OD2 3.45Å; R68-D91 IonicContact NH1-OD1 3.77Å; R68-D91 IonicContact NH1-OD2 2.71Å; R68-D91 PolarHBondContact NH1-OD2 2.85Å; R68-D91 IonicContact NH2-OD1 2.92Å; R68-D91 PolarHBondContact NH2-OD1 2.76Å; R68-D91 IonicContact NH2-OD2 3.24Å; R68-D91 PolarHBondContact NH2-OD2 2.8Å; V87-D91 VanDerWaalsContact CA-OD2 3.3Å; V87-D91 WeakPolarHBondContact CA-OD2 3.4Å; V87-D91 HydrophobicContact CB-CB 4.44Å; D88-D91 PolarHBondContact N-OD2 2.86Å; D88-D91 PolarHBondContact O-N 3.47Å; D88-D91 VanDerWaalsContact O-N 3.11Å; D88-D91 PolarHBondContact OD1-N 3.45Å; T89-D91 PolarHBondContact O-N 3.08Å; D91-A93 PolarHBondContact O-N 2.79Å; D91-Y95 PolarHBondContact O-OH 3.19Å
92	T	92.4	Very high	93.1	Very high	106 Å²	106	64.1 Å²	64.1	65%	0.65	34%	0.339	S	S	*	.			trans	-70	110.8	173.3	-55.1	0	0	0	0	110.2	T89 A90	T89-T92 WeakPolarHBondContact O-CB 3.4Å; T89-T92 PolarHBondContact O-N 3.12Å; T89-T92 PolarHBondContact O-OG1 3.11Å; A90-T92 VanDerWaalsContact C-N 3.29Å
93	A	93.9	Very high	92.9	Very high	26 Å²	26	67.7 Å²	67.7	22%	0.215	36%	0.358	C	S	.	.	S	Bend	trans	-162.1	162.9	-175.5	0	0	0	0	0	110.7	R40 Q41 P42 D91 Y95	R40-A93 HydrophobicContact CB-CB 3.78Å; R40-A93 HydrophobicContact CG-CB 4.19Å; Q41-A93 VanDerWaalsContact C-CB 3.48Å; Q41-A93 WeakPolarHBondContact O-CA 3.11Å; Q41-A93 WeakPolarHBondContact O-CB 3.49Å; P42-A93 HydrophobicContact CG-CB 4.29Å; D91-A93 PolarHBondContact O-N 2.79Å; A93-Y95 HydrophobicContact CB-CD2 4.45Å; A93-Y95 HydrophobicContact CB-CE2 3.97Å; A93-Y95 VanDerWaalsContact O-CD2 3.27Å; A93-Y95 WeakPolarHBondContact O-CD2 3.49Å; A93-Y95 WeakPolarHBondContact O-CE2 3.28Å
94	T	93.4	Very high	92.6	Very high	75 Å²	75	65.5 Å²	65.5	46%	0.46	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	133.9	157.7	-50.9	0	0	0	0	108.2	R40 Q41 Y96	R40-T94 CarbonylContact C-O 3.54Å; R40-T94 VanDerWaalsContact CA-O 3.23Å; R40-T94 WeakPolarHBondContact CA-O 3.2Å; Q41-T94 PolarHBondContact N-O 3.24Å; Q41-T94 PolarHBondContact O-N 2.81Å; T94-Y96 HydrophobicContact CG2-CE1 3.8Å; T94-Y96 HydrophobicContact CG2-CE2 3.78Å; T94-Y96 VanDerWaalsContact CG2-OH 3.3Å; T94-Y96 WeakPolarHBondContact CG2-OH 3.48Å
95	Y	94.5	Very high	92.4	Very high	18 Å²	18	69.4 Å²	69.4	7%	0.071	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	148.1	177.3	-71	-99.6	0	0	0	109.2	L18 L20 I39 R40 L50 L82 I84 D91 A93	L18-Y95 HydrophobicContact CD2-CD2 4.39Å; L18-Y95 HydrophobicContact CD2-CE1 4.2Å; L18-Y95 HydrophobicContact CD2-CE2 3.82Å; L20-Y95 VanDerWaalsContact CD1-CB 3.49Å; L20-Y95 HydrophobicContact CD1-CD1 3.51Å; L20-Y95 HydrophobicContact CD1-CD2 4.12Å; L20-Y95 HydrophobicContact CD1-CE1 4.27Å; L20-Y95 HydrophobicContact CD1-CG 3.42Å; L20-Y95 VanDerWaalsContact CD1-CG 3.42Å; I39-Y95 CarbonylContact O-C 3.57Å; I39-Y95 WeakPolarHBondContact O-CA 3.42Å; R40-Y95 HydrophobicContact CB-CD1 3.77Å; R40-Y95 HydrophobicContact CB-CE1 3.7Å; R40-Y95 HydrophobicContact CB-CG 4.27Å; R40-Y95 HydrophobicContact CG-CE1 4.47Å; L50-Y95 HydrophobicContact CD1-CD1 3.89Å; L50-Y95 HydrophobicContact CD1-CE1 3.58Å; L82-Y95 HydrophobicContact CD2-CD1 4.4Å; I84-Y95 HydrophobicContact CD1-CE1 3.61Å; D91-Y95 PolarHBondContact O-OH 3.19Å; A93-Y95 HydrophobicContact CB-CD2 4.45Å; A93-Y95 HydrophobicContact CB-CE2 3.97Å; A93-Y95 VanDerWaalsContact O-CD2 3.27Å; A93-Y95 WeakPolarHBondContact O-CD2 3.49Å; A93-Y95 WeakPolarHBondContact O-CE2 3.28Å
96	Y	94	Very high	92.2	Very high	92 Å²	92	70.7 Å²	70.7	36%	0.361	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	139.2	-179.2	-56.4	-81.9	0	0	0	109.1	W38 I39 Q41 L47 T94	W38-Y96 WeakPolarHBondContact CA-O 3.46Å; I39-Y96 PolarHBondContact N-O 2.68Å; I39-Y96 PolarHBondContact O-N 2.91Å; Q41-Y96 HydrophobicContact CB-CE2 3.82Å; Q41-Y96 PolarHBondContact OE1-OH 2.73Å; L47-Y96 HydrophobicContact CD2-CD2 4.39Å; L47-Y96 HydrophobicContact CD2-CE2 4.31Å; T94-Y96 HydrophobicContact CG2-CE1 3.8Å; T94-Y96 HydrophobicContact CG2-CE2 3.78Å; T94-Y96 VanDerWaalsContact CG2-OH 3.3Å; T94-Y96 WeakPolarHBondContact CG2-OH 3.48Å
97	S	93.9	Very high	92.1	Very high	13 Å²	13	70.2 Å²	70.2	9%	0.091	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.1	165.5	172.9	0	0	0	0	110	C22 F24 V36 S37	C22-S97 VanDerWaalsContact CB-CB 3.49Å; C22-S97 WeakPolarHBondContact CB-OG 3.32Å; C22-S97 WeakPolarHBondContact SG-CB 3.36Å; C22-S97 PolarHBondContact SG-OG 3.38Å; F24-S97 WeakPolarHBondContact CZ-OG 3.38Å; V36-S97 VanDerWaalsContact CG1-OG 3.29Å; V36-S97 WeakPolarHBondContact CG1-OG 3.39Å; S37-S97 WeakPolarHBondContact O-CA 3.46Å
98	A	93	Very high	92	Very high	37 Å²	37	74.8 Å²	74.8	31%	0.306	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.3	-177.9	0	0	0	0	0	111	V36 S37 I39	V36-A98 WeakPolarHBondContact CA-O 3.03Å; S37-A98 PolarHBondContact N-O 2.99Å; S37-A98 PolarHBondContact O-N 3.34Å; I39-A98 HydrophobicContact CD1-CB 4.12Å
99	R	90.9	Very high	92.1	Very high	143 Å²	143	74.8 Å²	74.8	54%	0.54	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	140.9	174	-172.7	-179.4	70.6	77.7	-4.1	110.6	F27 M34	F27-R99 VanDerWaalsContact CD1-CD 3.4Å; F27-R99 HydrophobicContact CD1-CG 4.46Å; F27-R99 HydrophobicContact CE1-CB 4.24Å; F27-R99 HydrophobicContact CE1-CG 4.02Å; F27-R99 HydrophobicContact CE2-CG 4.2Å; F27-R99 HydrophobicContact CZ-CB 4.19Å; F27-R99 HydrophobicContact CZ-CG 3.87Å; M34-R99 WeakPolarHBondContact SD-CD 3.37Å; M34-R99 HydrophobicContact SD-CG 3.38Å; M34-R99 WeakPolarHBondContact SD-CG 3.46Å
100	R	84.8	Confident	92.2	Very high	198 Å²	198	70.5 Å²	70.5	75%	0.747	36%	0.361	S	S	*	.			trans	-102.5	0	163.4	-171.9	178.5	176.4	104.3	-0.2	109.9	M34 G35	M34-R100 VanDerWaalsContact SD-O 3.39Å; G35-R100 PolarHBondContact N-O 2.92Å; G35-R100 PolarHBondContact O-N 3.37Å

Retrieved 100 of 100 residues in 106.7 ms (Link to these results)

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