A0A068LRV5_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LRV5, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 119 aa.

						>A0A068LRV5_HUMAN|A0A068LRV5
QVQLQESGPGLVRPSETLSLTCAVSGGSIRGYQWSWIRQPPGKGLEWIGYIYYSGSTNYNPSLKSRVTISVDTSTNQFSLKLSSVTAADTAVYYCARVYGDYENWLDPWGQGTLVTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	Q	79.9	Confident	94.5	Very high	211 Å²	211	77.7 Å²	77.7	99%	0.986	44%	0.44	S	S	*	.				0	139.9	0	-174.4	174.1	8	0	0	107.6
2	V	89.6	Confident	94.8	Very high	31 Å²	31	71.8 Å²	71.8	19%	0.188	41%	0.407	C	S	.	.			trans	-70.3	134	178.6	179.8	0	0	0	0	109.3	L4 V24 S25 P108	V2-L4 HydrophobicContact CG1-CD2 4.34Å; V2-V24 HydrophobicContact CG1-CG1 3.94Å; V2-S25 WeakPolarHBondContact CA-O 3.45Å; V2-P108 HydrophobicContact CB-CG 4.25Å; V2-P108 HydrophobicContact CG1-CG 3.95Å
3	Q	93.8	Very high	95	Very high	124 Å²	124	77.9 Å²	77.9	58%	0.579	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	146.9	175.8	-66.1	179	-21.9	0	0	110	S25	Q3-S25 WeakPolarHBondContact CB-OG 3.21Å; Q3-S25 PolarHBondContact N-O 3.45Å; Q3-S25 PolarHBondContact O-N 3.29Å
4	L	96.3	Very high	95.3	Very high	14 Å²	14	76.8 Å²	76.8	7%	0.073	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.1	-179.5	-56.5	-176.8	0	0	0	109.3	V2 A23 V24 W34 C95 P108 G110	V2-L4 HydrophobicContact CG1-CD2 4.34Å; L4-A23 WeakPolarHBondContact CA-O 3.36Å; L4-V24 HydrophobicContact CD2-CB 4.3Å; L4-V24 HydrophobicContact CD2-CG1 4.18Å; L4-V24 HydrophobicContact CD2-CG2 3.81Å; L4-W34 HydrophobicContact CD1-CZ3 4.11Å; L4-W34 HydrophobicContact CD2-CE3 4.3Å; L4-W34 HydrophobicContact CD2-CH2 4.1Å; L4-W34 HydrophobicContact CD2-CZ3 3.45Å; L4-W34 VanDerWaalsContact CD2-CZ3 3.45Å; L4-W34 HydrophobicContact CG-CZ3 4.42Å; L4-C95 WeakPolarHBondContact CD1-O 3.3Å; L4-P108 HydrophobicContact CD1-CB 4.25Å; L4-P108 HydrophobicContact CD1-CG 4.14Å; L4-P108 WeakPolarHBondContact CD1-O 3.46Å; L4-P108 HydrophobicContact CG-CB 4.27Å; L4-P108 HydrophobicContact CG-CG 4.3Å; L4-G110 WeakPolarHBondContact O-CA 3.36Å
5	Q	97.6	Very high	95.4	Very high	140 Å²	140	78.2 Å²	78.2	65%	0.654	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	110.5	-178.1	-175	163.8	35	0	0	110.9	C22 A23	Q5-C22 WeakPolarHBondContact O-CA 3.44Å; Q5-A23 PolarHBondContact N-O 3.05Å; Q5-A23 PolarHBondContact O-N 3.29Å
6	E	98.4	Very high	95.6	Very high	23 Å²	23	78.9 Å²	78.9	11%	0.107	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	144.1	173.1	-59	88.2	162.7	0	0	111.8	T21 W36 Y94 C95 G110 Q111 G112 T113	E6-T21 CarbonylContact C-O 3.57Å; E6-T21 WeakPolarHBondContact CA-O 3.25Å; E6-W36 HydrophobicContact CG-CH2 4.21Å; E6-W36 HydrophobicContact CG-CZ3 4.05Å; E6-Y94 WeakPolarHBondContact OE1-CA 3.18Å; E6-C95 HydrophobicContact CG-CB 4.15Å; E6-C95 VanDerWaalsContact CG-SG 3.59Å; E6-C95 PolarHBondContact OE1-N 2.76Å; E6-C95 PolarHBondContact OE1-SG 2.8Å; E6-C95 VanDerWaalsContact OE1-SG 3.37Å; E6-G110 VanDerWaalsContact OE1-CA 3.23Å; E6-G110 WeakPolarHBondContact OE1-CA 3.12Å; E6-G110 WeakPolarHBondContact OE2-CA 3.48Å; E6-Q111 PolarHBondContact OE2-N 3.36Å; E6-G112 PolarHBondContact OE1-N 3.06Å; E6-G112 PolarHBondContact OE2-N 3.43Å; E6-T113 HydrophobicContact CB-CG2 3.81Å; E6-T113 HydrophobicContact CG-CG2 4.5Å
7	S	97.8	Very high	95.7	Very high	61 Å²	61	78.6 Å²	78.6	43%	0.427	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	150.3	174.3	60	0	0	0	0	110.3	L20 T21	S7-L20 WeakPolarHBondContact O-CA 3.28Å; S7-T21 PolarHBondContact N-O 3.3Å; S7-T21 PolarHBondContact O-N 3.13Å; S7-T21 PolarHBondContact OG-O 2.85Å
8	G	96.8	Very high	95.9	Very high	45 Å²	45	74.3 Å²	74.3	46%	0.464	41%	0.412	S	S	.	.	S	Bend	trans	155.4	-175	-178.7	0	0	0	0	0	112
9	P	95.9	Very high	96	Very high	53 Å²	53	73.1 Å²	73.1	34%	0.344	41%	0.409	S	S	.	.			trans	-71.4	136.4	-179.3	30	-34.2	0	0	0	111.4	V12 L18 S19	P9-V12 HydrophobicContact CB-CG2 3.91Å; P9-V12 HydrophobicContact CG-CG2 3.54Å; P9-L18 HydrophobicContact CG-CD1 3.73Å; P9-S19 WeakPolarHBondContact CD-O 3.37Å
10	G	96	Very high	96.1	Very high	43 Å²	43	69.5 Å²	69.5	44%	0.443	39%	0.389	S	S	.	.	S	Bend	trans	-80.4	-19.1	172.5	0	0	0	0	0	113.9	T116	G10-T116 PolarHBondContact O-N 3.04Å
11	L	97.8	Very high	96.2	Very high	110 Å²	110	68 Å²	68	58%	0.576	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	132.7	178.7	179.2	66.1	0	0	0	109.4	T116 S118	L11-T116 WeakPolarHBondContact CA-O 3.22Å; L11-T116 HydrophobicContact CD1-CG2 4.11Å; L11-S118 VanDerWaalsContact CD1-OG 3.27Å; L11-S118 WeakPolarHBondContact CD1-OG 3.35Å
12	V	97.7	Very high	97.1	Very high	6 Å²	6	58 Å²	58	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.5	178.4	-176.7	0	0	0	0	108.7	P9 E16 L18 V85 V115 T116 V117 S118	P9-V12 HydrophobicContact CB-CG2 3.91Å; P9-V12 HydrophobicContact CG-CG2 3.54Å; V12-E16 HydrophobicContact CG1-CB 3.69Å; V12-L18 HydrophobicContact CG2-CD1 3.97Å; V12-V85 HydrophobicContact CB-CG2 4.44Å; V12-V85 HydrophobicContact CG1-CG2 3.72Å; V12-V115 HydrophobicContact CG2-CG1 4.18Å; V12-T116 PolarHBondContact N-O 3.4Å; V12-V117 VanDerWaalsContact O-CA 3.28Å; V12-V117 WeakPolarHBondContact O-CA 3.16Å; V12-S118 PolarHBondContact O-N 2.62Å
13	R	98.1	Very high	97.5	Very high	152 Å²	152	58.1 Å²	58.1	57%	0.574	34%	0.339	S	S	*	.			trans	-82.4	153.6	177.6	-66.8	175.9	171.5	153.9	-0.8	111.4	E16 V85	R13-E16 HydrophobicContact CB-CG 4.07Å; R13-E16 PolarHBondContact N-OE2 3.05Å; R13-E16 WeakPolarHBondContact O-CB 3.49Å; R13-E16 PolarHBondContact O-N 2.8Å; R13-V85 WeakPolarHBondContact O-CG2 3.45Å
14	P	98.1	Very high	97.6	Very high	62 Å²	62	52.6 Å²	52.6	40%	0.403	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	144	171.9	-25.7	34.4	0	0	0	112.1	E16 V85 V117	P14-E16 PolarHBondContact O-N 2.95Å; P14-V85 CarbonylContact C-O 3.58Å; P14-V85 WeakPolarHBondContact CA-O 3.48Å; P14-V117 HydrophobicContact CG-CG1 4.27Å
15	S	97.4	Very high	97.6	Very high	98 Å²	98	54.4 Å²	54.4	69%	0.685	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	-8.1	-177	-44.3	0	0	0	0	116.3	V85	S15-V85 PolarHBondContact N-O 2.78Å
16	E	97.9	Very high	97.3	Very high	89 Å²	89	50.7 Å²	50.7	42%	0.416	33%	0.327	S	S	.	.	S	Bend	trans	-74.2	176.7	172.3	-66.1	-178.3	163.2	0	0	111.7	V12 R13 P14 S84 V85	V12-E16 HydrophobicContact CG1-CB 3.69Å; R13-E16 HydrophobicContact CB-CG 4.07Å; R13-E16 PolarHBondContact N-OE2 3.05Å; R13-E16 WeakPolarHBondContact O-CB 3.49Å; R13-E16 PolarHBondContact O-N 2.8Å; P14-E16 PolarHBondContact O-N 2.95Å; E16-S84 PolarHBondContact O-N 2.96Å; E16-S84 VanDerWaalsContact O-N 3.16Å; E16-V85 PolarHBondContact O-N 2.79Å; E16-V85 VanDerWaalsContact O-N 3.1Å
17	T	98.3	Very high	96.8	Very high	75 Å²	75	51.3 Å²	51.3	46%	0.46	34%	0.34	S	S	.	.			trans	-104.8	117.9	174.4	-60.9	0	0	0	0	109.8	K81 L82	T17-K81 HydrophobicContact CG2-CB 4.34Å; T17-L82 CarbonylContact C-O 3.48Å; T17-L82 WeakPolarHBondContact CA-O 3.47Å
18	L	98.3	Very high	96.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.9	168	169.5	62.1	0	0	0	109.1	P9 V12 L20 K81 L82 V85 Y93 V115	P9-L18 HydrophobicContact CG-CD1 3.73Å; V12-L18 HydrophobicContact CG2-CD1 3.97Å; L18-L20 HydrophobicContact CD1-CD2 3.73Å; L18-L20 HydrophobicContact CD1-CG 3.87Å; L18-L20 HydrophobicContact CD2-CD1 4.23Å; L18-L20 HydrophobicContact CD2-CG 4.3Å; L18-L20 HydrophobicContact CG-CD2 4.45Å; L18-L20 HydrophobicContact CG-CG 4.04Å; L18-K81 CarbonylContact O-C 3.58Å; L18-K81 VanDerWaalsContact O-CA 3.3Å; L18-K81 WeakPolarHBondContact O-CA 3.32Å; L18-L82 HydrophobicContact CB-CB 4.33Å; L18-L82 PolarHBondContact N-O 2.77Å; L18-L82 PolarHBondContact O-N 2.83Å; L18-V85 HydrophobicContact CB-CG1 3.79Å; L18-Y93 HydrophobicContact CD2-CE1 4.09Å; L18-Y93 HydrophobicContact CD2-CE2 4.07Å; L18-V115 HydrophobicContact CD1-CG1 3.8Å; L18-V115 HydrophobicContact CD1-CG2 4.02Å; L18-V115 HydrophobicContact CD2-CB 4.45Å; L18-V115 HydrophobicContact CD2-CG1 4Å; L18-V115 HydrophobicContact CD2-CG2 4.27Å; L18-V115 HydrophobicContact CG-CG1 4.5Å
19	S	98.3	Very high	96.2	Very high	52 Å²	52	49.2 Å²	49.2	36%	0.364	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115.4	172.4	-62.3	0	0	0	0	109.8	P9 L80	P9-S19 WeakPolarHBondContact CD-O 3.37Å; S19-L80 CarbonylContact C-O 3.49Å; S19-L80 WeakPolarHBondContact CA-O 3.47Å
20	L	98.7	Very high	96	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149.7	175.3	-60.7	-179.5	0	0	0	110.2	S7 L18 W36 S79 L80 Y93 T113 V115	S7-L20 WeakPolarHBondContact O-CA 3.28Å; L18-L20 HydrophobicContact CD1-CD2 3.73Å; L18-L20 HydrophobicContact CD1-CG 3.87Å; L18-L20 HydrophobicContact CD2-CD1 4.23Å; L18-L20 HydrophobicContact CD2-CG 4.3Å; L18-L20 HydrophobicContact CG-CD2 4.45Å; L18-L20 HydrophobicContact CG-CG 4.04Å; L20-W36 HydrophobicContact CB-CH2 3.58Å; L20-W36 HydrophobicContact CB-CZ2 4.09Å; L20-W36 HydrophobicContact CB-CZ3 4Å; L20-W36 HydrophobicContact CD1-CE3 4.48Å; L20-W36 HydrophobicContact CD1-CH2 4.34Å; L20-W36 HydrophobicContact CD1-CZ3 3.9Å; L20-S79 CarbonylContact O-C 3.59Å; L20-S79 WeakPolarHBondContact O-CA 3.39Å; L20-S79 WeakPolarHBondContact O-CB 3.47Å; L20-L80 HydrophobicContact CB-CB 4.38Å; L20-L80 HydrophobicContact CD1-CD2 4.36Å; L20-L80 PolarHBondContact N-O 3.16Å; L20-L80 PolarHBondContact O-N 2.89Å; L20-Y93 VanDerWaalsContact CD1-CB 3.42Å; L20-Y93 HydrophobicContact CD1-CD1 3.71Å; L20-Y93 HydrophobicContact CD1-CD2 4.15Å; L20-Y93 HydrophobicContact CD1-CG 3.5Å; L20-Y93 VanDerWaalsContact CD1-CG 3.5Å; L20-T113 HydrophobicContact CD1-CG2 4.09Å; L20-T113 HydrophobicContact CD2-CG2 3.97Å; L20-V115 HydrophobicContact CD1-CG2 4.32Å; L20-V115 HydrophobicContact CD2-CG2 4.04Å
21	T	98.6	Very high	95.5	Very high	40 Å²	40	53.7 Å²	53.7	25%	0.245	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.5	175	-58	0	0	0	0	109.5	E6 S7 Q77	E6-T21 CarbonylContact C-O 3.57Å; E6-T21 WeakPolarHBondContact CA-O 3.25Å; S7-T21 PolarHBondContact N-O 3.3Å; S7-T21 PolarHBondContact O-N 3.13Å; S7-T21 PolarHBondContact OG-O 2.85Å; T21-Q77 HydrophobicContact CG2-CB 4.05Å; T21-Q77 HydrophobicContact CG2-CG 4.04Å
22	C	98.1	Very high	95.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.7	172.2	177.9	0	0	0	0	109.3	Q5 W36 Q77 F78 C95	Q5-C22 WeakPolarHBondContact O-CA 3.44Å; C22-W36 HydrophobicContact CB-CH2 3.94Å; C22-W36 HydrophobicContact CB-CZ2 3.77Å; C22-Q77 WeakPolarHBondContact O-CA 3.38Å; C22-F78 HydrophobicContact CB-CD1 4.07Å; C22-F78 HydrophobicContact CB-CD2 4.4Å; C22-F78 HydrophobicContact CB-CE1 3.66Å; C22-F78 HydrophobicContact CB-CE2 4Å; C22-F78 HydrophobicContact CB-CG 4.45Å; C22-F78 HydrophobicContact CB-CZ 3.65Å; C22-F78 PolarHBondContact N-O 3.05Å; C22-F78 PolarHBondContact O-N 3.45Å; C22-F78 VanDerWaalsContact O-N 3.09Å; C22-F78 WeakPolarHBondContact SG-CE1 3.4Å; C22-F78 WeakPolarHBondContact SG-CZ 3.27Å; C22-C95 HydrophobicContact CB-CB 3.39Å; C22-C95 WeakPolarHBondContact CB-SG 3.33Å; C22-C95 WeakPolarHBondContact SG-CB 3.44Å; C22-C95 CovalentContact SG-SG 2.04Å; C22-C95 PolarHBondContact SG-SG 2.99Å
23	A	97.8	Very high	94.7	Very high	33 Å²	33	53.3 Å²	53.3	27%	0.273	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133	174.6	0	0	0	0	0	110.6	L4 Q5 Q77	L4-A23 WeakPolarHBondContact CA-O 3.36Å; Q5-A23 PolarHBondContact N-O 3.05Å; Q5-A23 PolarHBondContact O-N 3.29Å; A23-Q77 HydrophobicContact CB-CG 4.02Å
24	V	96.1	Very high	94.5	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.6	174.6	-175.1	0	0	0	0	108.5	V2 L4 I29 W34 N76 F78	V2-V24 HydrophobicContact CG1-CG1 3.94Å; L4-V24 HydrophobicContact CD2-CB 4.3Å; L4-V24 HydrophobicContact CD2-CG1 4.18Å; L4-V24 HydrophobicContact CD2-CG2 3.81Å; V24-I29 HydrophobicContact CG2-CB 4.47Å; V24-I29 HydrophobicContact CG2-CD1 4.18Å; V24-I29 HydrophobicContact CG2-CG1 4.19Å; V24-W34 HydrophobicContact CB-CH2 4.5Å; V24-W34 HydrophobicContact CG1-CH2 3.81Å; V24-W34 HydrophobicContact CG1-CZ2 4.29Å; V24-W34 HydrophobicContact CG2-CE3 4.34Å; V24-W34 HydrophobicContact CG2-CH2 3.81Å; V24-W34 HydrophobicContact CG2-CZ2 4.12Å; V24-W34 HydrophobicContact CG2-CZ3 3.95Å; V24-N76 WeakPolarHBondContact CB-O 3.28Å; V24-N76 PolarHBondContact N-O 3.26Å; V24-N76 PolarHBondContact O-ND2 2.97Å; V24-F78 HydrophobicContact CG2-CD1 4.25Å; V24-F78 HydrophobicContact CG2-CE1 4.03Å
25	S	95.1	Very high	94.4	Very high	52 Å²	52	43.2 Å²	43.2	36%	0.364	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	158.4	175.6	68.6	0	0	0	0	111.2	V2 Q3 G27	V2-S25 WeakPolarHBondContact CA-O 3.45Å; Q3-S25 WeakPolarHBondContact CB-OG 3.21Å; Q3-S25 PolarHBondContact N-O 3.45Å; Q3-S25 PolarHBondContact O-N 3.29Å; S25-G27 PolarHBondContact O-N 3.4Å
26	G	92	Very high	94.4	Very high	62 Å²	62	38.6 Å²	38.6	64%	0.639	24%	0.242	S	C	*	.	S	Bend	trans	67.7	16.9	-178.2	0	0	0	0	0	115
27	G	89.1	Confident	94.3	Very high	36 Å²	36	34.4 Å²	34.4	37%	0.371	22%	0.222	S	C	.	.	S	Bend	trans	-174.8	-178.5	177.6	0	0	0	0	0	112.9	S25 N76	S25-G27 PolarHBondContact O-N 3.4Å; G27-N76 PolarHBondContact O-ND2 3.07Å
28	S	90.4	Very high	94.3	Very high	61 Å²	61	31.6 Å²	31.6	43%	0.427	20%	0.203	S	C	.	.			trans	-101.9	143.3	176.1	-171.2	0	0	0	0	111.5	R30 Y32	S28-R30 PolarHBondContact O-N 3.32Å; S28-R30 PolarHBondContact OG-N 2.83Å; S28-Y32 WeakPolarHBondContact O-CD2 3.36Å
29	I	91.6	Very high	94.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-70.3	-19	171.9	-158.2	165.9	0	0	0	112.4	V24 W34 V71 T73 N76 Q77 F78	V24-I29 HydrophobicContact CG2-CB 4.47Å; V24-I29 HydrophobicContact CG2-CD1 4.18Å; V24-I29 HydrophobicContact CG2-CG1 4.19Å; I29-W34 HydrophobicContact CB-CZ2 4.42Å; I29-W34 HydrophobicContact CG1-CD2 4.25Å; I29-W34 HydrophobicContact CG1-CG 4.32Å; I29-W34 HydrophobicContact CG1-CZ2 4.03Å; I29-W34 PolarHBondContact O-NE1 3.5Å; I29-V71 HydrophobicContact CD1-CG2 3.6Å; I29-V71 HydrophobicContact CG1-CG2 4.12Å; I29-T73 HydrophobicContact CG2-CG2 4Å; I29-N76 WeakPolarHBondContact CB-OD1 3.37Å; I29-N76 VanDerWaalsContact CG2-OD1 3.29Å; I29-N76 WeakPolarHBondContact CG2-OD1 3.49Å; I29-N76 PolarHBondContact N-OD1 3.08Å; I29-Q77 VanDerWaalsContact CD1-C 3.41Å; I29-Q77 VanDerWaalsContact CD1-O 3.27Å; I29-Q77 WeakPolarHBondContact CD1-O 3.45Å; I29-F78 HydrophobicContact CD1-CB 4.19Å; I29-F78 HydrophobicContact CD1-CD1 3.91Å
30	R	90.9	Very high	94.2	Very high	149 Å²	149	33.2 Å²	33.2	56%	0.562	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	146.2	-179	-62.7	-177.1	176.8	-149.7	-3.6	111.4	S28 Y32 Y53 T73	S28-R30 PolarHBondContact O-N 3.32Å; S28-R30 PolarHBondContact OG-N 2.83Å; R30-Y32 WeakPolarHBondContact O-CD2 3.38Å; R30-Y32 WeakPolarHBondContact O-CE2 3.39Å; R30-Y53 HydrophobicContact CB-CD2 4.46Å; R30-Y53 HydrophobicContact CG-CD2 4.48Å; R30-T73 HydrophobicContact CG-CG2 4.42Å
31	G	86.4	Confident	94.1	Very high	41 Å²	41	37.8 Å²	37.8	42%	0.423	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	0	177.8	0	0	0	0	0	115.4
32	Y	87.9	Confident	94.1	Very high	64 Å²	64	40.3 Å²	40.3	25%	0.251	27%	0.269	S	S	.	.	S	Bend	trans	-126.9	160.9	-174.6	-56.3	-76.3	0	0	0	113.2	S28 R30 W34 Y52 Y53 R97 Y99	S28-Y32 WeakPolarHBondContact O-CD2 3.36Å; R30-Y32 WeakPolarHBondContact O-CD2 3.38Å; R30-Y32 WeakPolarHBondContact O-CE2 3.39Å; Y32-W34 HydrophobicContact CD2-CZ2 4.05Å; Y32-W34 HydrophobicContact CG-CZ2 4.26Å; Y32-Y52 WeakPolarHBondContact O-CD2 3.33Å; Y32-Y53 PolarHBondContact O-N 2.96Å; Y32-R97 HydrophobicContact CD1-CG 4.1Å; Y32-R97 HydrophobicContact CG-CG 4.09Å; Y32-Y99 HydrophobicContact CD1-CD2 4.28Å; Y32-Y99 HydrophobicContact CE1-CD2 4.18Å; Y32-Y99 HydrophobicContact CE1-CE2 4.17Å
33	Q	90.6	Very high	93.9	Very high	44 Å²	44	47.3 Å²	47.3	21%	0.206	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	140.9	165.1	-65.5	175.1	-8.4	0	0	109.5	Y50 I51 Y52 V98	Q33-Y50 HydrophobicContact CG-CD2 4.46Å; Q33-I51 WeakPolarHBondContact CA-O 3.37Å; Q33-Y52 HydrophobicContact CB-CD2 4.32Å; Q33-Y52 HydrophobicContact CG-CD2 3.37Å; Q33-Y52 HydrophobicContact CG-CE2 4.01Å; Q33-Y52 HydrophobicContact CG-CG 4.29Å; Q33-V98 HydrophobicContact CB-CB 4.31Å; Q33-V98 PolarHBondContact N-O 3.04Å; Q33-V98 PolarHBondContact O-N 2.79Å
34	W	93.4	Very high	93.8	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.8	-176.4	-61.6	98.6	0	0	0	109.7	L4 V24 I29 Y32 Y50 I51 F78 R97	L4-W34 HydrophobicContact CD1-CZ3 4.11Å; L4-W34 HydrophobicContact CD2-CE3 4.3Å; L4-W34 HydrophobicContact CD2-CH2 4.1Å; L4-W34 HydrophobicContact CD2-CZ3 3.45Å; L4-W34 VanDerWaalsContact CD2-CZ3 3.45Å; L4-W34 HydrophobicContact CG-CZ3 4.42Å; V24-W34 HydrophobicContact CB-CH2 4.5Å; V24-W34 HydrophobicContact CG1-CH2 3.81Å; V24-W34 HydrophobicContact CG1-CZ2 4.29Å; V24-W34 HydrophobicContact CG2-CE3 4.34Å; V24-W34 HydrophobicContact CG2-CH2 3.81Å; V24-W34 HydrophobicContact CG2-CZ2 4.12Å; V24-W34 HydrophobicContact CG2-CZ3 3.95Å; I29-W34 HydrophobicContact CB-CZ2 4.42Å; I29-W34 HydrophobicContact CG1-CD2 4.25Å; I29-W34 HydrophobicContact CG1-CG 4.32Å; I29-W34 HydrophobicContact CG1-CZ2 4.03Å; I29-W34 PolarHBondContact O-NE1 3.5Å; Y32-W34 HydrophobicContact CD2-CZ2 4.05Å; Y32-W34 HydrophobicContact CG-CZ2 4.26Å; W34-Y50 CarbonylContact O-C 3.45Å; W34-Y50 WeakPolarHBondContact O-CA 3.23Å; W34-Y50 WeakPolarHBondContact O-CB 3.5Å; W34-I51 HydrophobicContact CB-CG2 4.18Å; W34-I51 PolarHBondContact N-O 3.31Å; W34-I51 PolarHBondContact O-N 3.14Å; W34-F78 HydrophobicContact CB-CD1 3.96Å; W34-F78 HydrophobicContact CB-CD2 3.81Å; W34-F78 HydrophobicContact CB-CE1 3.86Å; W34-F78 HydrophobicContact CB-CE2 3.73Å; W34-F78 HydrophobicContact CB-CG 3.91Å; W34-F78 HydrophobicContact CB-CZ 3.7Å; W34-F78 HydrophobicContact CD2-CD1 4.18Å; W34-F78 AromaticContact CD2-CE1 3.78Å; W34-F78 HydrophobicContact CD2-CE1 3.78Å; W34-F78 HydrophobicContact CD2-CZ 4.24Å; W34-F78 HydrophobicContact CE3-CD1 4.33Å; W34-F78 AromaticContact CE3-CE1 3.49Å; W34-F78 HydrophobicContact CE3-CE1 3.49Å; W34-F78 VanDerWaalsContact CE3-CE1 3.49Å; W34-F78 AromaticContact CE3-CZ 3.8Å; W34-F78 HydrophobicContact CE3-CZ 3.8Å; W34-F78 HydrophobicContact CG-CD1 4.02Å; W34-F78 AromaticContact CG-CE1 3.95Å; W34-F78 HydrophobicContact CG-CE1 3.95Å; W34-F78 HydrophobicContact CG-CG 4.37Å; W34-F78 HydrophobicContact CG-CZ 4.25Å; W34-F78 HydrophobicContact CZ3-CE1 4.31Å; W34-R97 HydrophobicContact CE3-CB 3.98Å; W34-R97 HydrophobicContact CE3-CG 4.2Å; W34-R97 HydrophobicContact CH2-CB 4.03Å; W34-R97 HydrophobicContact CH2-CG 3.8Å; W34-R97 HydrophobicContact CZ2-CG 4.19Å; W34-R97 HydrophobicContact CZ3-CB 3.53Å; W34-R97 HydrophobicContact CZ3-CG 3.77Å
35	S	95.3	Very high	93.7	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.014	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	146.7	-174.1	-72.4	0	0	0	0	111.9	W47 G49 C95 A96 V98	S35-W47 VanDerWaalsContact CB-NE1 3.34Å; S35-W47 PolarHBondContact OG-NE1 2.87Å; S35-W47 VanDerWaalsContact OG-NE1 3.09Å; S35-G49 WeakPolarHBondContact CA-O 3.31Å; S35-C95 WeakPolarHBondContact O-CA 3.38Å; S35-A96 PolarHBondContact N-O 3.44Å; S35-A96 PolarHBondContact O-N 3.09Å; S35-V98 VanDerWaalsContact OG-CG2 3.31Å; S35-V98 WeakPolarHBondContact OG-CG2 3.45Å
36	W	97.4	Very high	93.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.9	160.9	-77.7	99.1	0	0	0	109.8	E6 L20 C22 I48 G49 F78 L80 C95	E6-W36 HydrophobicContact CG-CH2 4.21Å; E6-W36 HydrophobicContact CG-CZ3 4.05Å; L20-W36 HydrophobicContact CB-CH2 3.58Å; L20-W36 HydrophobicContact CB-CZ2 4.09Å; L20-W36 HydrophobicContact CB-CZ3 4Å; L20-W36 HydrophobicContact CD1-CE3 4.48Å; L20-W36 HydrophobicContact CD1-CH2 4.34Å; L20-W36 HydrophobicContact CD1-CZ3 3.9Å; C22-W36 HydrophobicContact CB-CH2 3.94Å; C22-W36 HydrophobicContact CB-CZ2 3.77Å; W36-I48 HydrophobicContact CB-CB 4.2Å; W36-I48 HydrophobicContact CB-CD1 4.33Å; W36-I48 WeakPolarHBondContact O-CB 3.34Å; W36-I48 PolarHBondContact O-N 3.23Å; W36-G49 PolarHBondContact N-O 3.29Å; W36-G49 PolarHBondContact O-N 2.93Å; W36-F78 AromaticContact CD1-CD2 3.94Å; W36-F78 AromaticContact CD1-CE2 3.97Å; W36-F78 AromaticContact CE2-CE2 3.94Å; W36-F78 HydrophobicContact CZ2-CD2 4.49Å; W36-F78 HydrophobicContact CZ2-CE2 4.42Å; W36-F78 AromaticContact NE1-CD2 3.33Å; W36-F78 VanDerWaalsContact NE1-CD2 3.33Å; W36-F78 AromaticContact NE1-CE2 3.56Å; W36-L80 HydrophobicContact CB-CD2 4.24Å; W36-L80 HydrophobicContact CD2-CB 3.71Å; W36-L80 HydrophobicContact CD2-CD2 4.08Å; W36-L80 HydrophobicContact CD2-CG 4.47Å; W36-L80 HydrophobicContact CE3-CB 4.39Å; W36-L80 HydrophobicContact CE3-CD2 4.2Å; W36-L80 HydrophobicContact CG-CB 3.82Å; W36-L80 HydrophobicContact CG-CD1 4.47Å; W36-L80 HydrophobicContact CG-CD2 4.12Å; W36-L80 HydrophobicContact CG-CG 4.37Å; W36-L80 HydrophobicContact CZ2-CB 4.11Å; W36-C95 HydrophobicContact CE3-CB 4.28Å; W36-C95 HydrophobicContact CH2-CB 4.24Å; W36-C95 HydrophobicContact CZ2-CB 4.46Å; W36-C95 HydrophobicContact CZ3-CB 4.15Å
37	I	96.8	Very high	93.9	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.3	-177	-56.2	165	0	0	0	106.6	L45 E46 W47 Y93 Y94 A96 W109	I37-L45 HydrophobicContact CG2-CB 4.04Å; I37-L45 HydrophobicContact CG2-CD2 3.83Å; I37-L45 HydrophobicContact CG2-CG 4.48Å; I37-E46 WeakPolarHBondContact CA-O 3.35Å; I37-E46 WeakPolarHBondContact CG2-O 3.41Å; I37-W47 HydrophobicContact CD1-CD2 4.36Å; I37-W47 HydrophobicContact CD1-CZ2 4.02Å; I37-W47 HydrophobicContact CG1-CD2 4.2Å; I37-W47 HydrophobicContact CG1-CG 4.11Å; I37-Y93 CarbonylContact O-C 3.47Å; I37-Y93 WeakPolarHBondContact O-CA 3.4Å; I37-Y94 PolarHBondContact N-O 2.87Å; I37-Y94 PolarHBondContact O-N 3.24Å; I37-A96 HydrophobicContact CD1-CB 4.04Å; I37-W109 HydrophobicContact CB-CH2 4.38Å; I37-W109 HydrophobicContact CD1-CH2 3.29Å; I37-W109 HydrophobicContact CD1-CZ2 3.47Å; I37-W109 VanDerWaalsContact CD1-CZ2 3.47Å; I37-W109 HydrophobicContact CD1-CZ3 3.98Å; I37-W109 HydrophobicContact CG1-CH2 4.4Å; I37-W109 HydrophobicContact CG2-CH2 4.1Å; I37-W109 HydrophobicContact CG2-CZ3 4.39Å
38	R	97.4	Very high	94.2	Very high	16 Å²	16	53.7 Å²	53.7	6%	0.06	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.7	173.4	65.5	178.5	-173.4	-178.1	3.7	111.8	E46 I48 D89 A91 V92 Y93	R38-E46 HydrophobicContact CG-CB 4.17Å; R38-E46 IonicContact CZ-OE2 3.82Å; R38-E46 VanDerWaalsContact CZ-OE2 3.24Å; R38-E46 PolarHBondContact N-O 3.04Å; R38-E46 IonicContact NE-OE2 3.4Å; R38-E46 PolarHBondContact NE-OE2 2.75Å; R38-E46 IonicContact NH2-OE1 3.7Å; R38-E46 PolarHBondContact NH2-OE1 3.26Å; R38-E46 IonicContact NH2-OE2 2.74Å; R38-E46 PolarHBondContact NH2-OE2 3.09Å; R38-E46 PolarHBondContact O-N 2.84Å; R38-I48 HydrophobicContact CB-CD1 4.03Å; R38-I48 HydrophobicContact CB-CG1 4.43Å; R38-I48 HydrophobicContact CG-CD1 4.03Å; R38-I48 HydrophobicContact CG-CG1 4.01Å; R38-D89 IonicContact CZ-OD1 3.24Å; R38-D89 IonicContact NH1-OD1 2.77Å; R38-D89 PolarHBondContact NH1-OD1 3.47Å; R38-A91 HydrophobicContact CB-CB 3.87Å; R38-A91 HydrophobicContact CG-CB 4.45Å; R38-V92 CarbonylContact C-O 3.48Å; R38-V92 VanDerWaalsContact CA-O 3.25Å; R38-V92 WeakPolarHBondContact CA-O 3.28Å; R38-Y93 HydrophobicContact CB-CD1 3.95Å; R38-Y93 HydrophobicContact CB-CE1 3.94Å; R38-Y93 HydrophobicContact CB-CG 4.32Å
39	Q	98.1	Very high	94.5	Very high	74 Å²	74	51 Å²	51	35%	0.346	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	99.3	172.3	-169.3	176.4	26.1	0	0	109.8	K43 L45 A91 V92 Y94	Q39-K43 WeakPolarHBondContact CG-O 3.15Å; Q39-K43 PolarHBondContact NE2-O 2.9Å; Q39-L45 HydrophobicContact CB-CD2 4.02Å; Q39-A91 WeakPolarHBondContact O-CA 3.38Å; Q39-A91 WeakPolarHBondContact O-CB 3.45Å; Q39-V92 PolarHBondContact N-O 2.93Å; Q39-V92 PolarHBondContact O-N 3.47Å; Q39-Y94 HydrophobicContact CB-CE2 3.91Å
40	P	97.6	Very high	94.6	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.071	30%	0.299	C	S	.	.			trans	-65.4	152.9	171.7	-19.3	32	0	0	0	111.5	G42 K43 A91	P40-G42 PolarHBondContact O-N 2.92Å; P40-K43 HydrophobicContact CB-CB 4.15Å; P40-K43 HydrophobicContact CB-CD 4.03Å; P40-K43 HydrophobicContact CB-CG 4.26Å; P40-K43 HydrophobicContact CG-CB 4.39Å; P40-K43 HydrophobicContact CG-CD 4.26Å; P40-K43 PolarHBondContact O-N 2.64Å; P40-A91 HydrophobicContact CG-CB 4.39Å
41	P	96.7	Very high	94.8	Very high	97 Å²	97	47.6 Å²	47.6	63%	0.63	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	129	176.8	-25.5	33.5	0	0	0	112.3	K43 T90	P41-K43 PolarHBondContact O-N 2.74Å; P41-T90 WeakPolarHBondContact CD-O 3.25Å; P41-T90 HydrophobicContact CG-CG2 4.38Å
42	G	96.7	Very high	95.2	Very high	92 Å²	92	49.2 Å²	49.2	95%	0.948	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	11.2	179.6	0	0	0	0	0	115.2	P40	P40-G42 PolarHBondContact O-N 2.92Å
43	K	95.6	Very high	95.3	Very high	147 Å²	147	50.5 Å²	50.5	64%	0.639	27%	0.272	S	S	*	.	S	Bend	trans	-120.5	164.4	178.2	-60.3	-168.6	-176.5	178.2	0	112	Q39 P40 P41	Q39-K43 WeakPolarHBondContact CG-O 3.15Å; Q39-K43 PolarHBondContact NE2-O 2.9Å; P40-K43 HydrophobicContact CB-CB 4.15Å; P40-K43 HydrophobicContact CB-CD 4.03Å; P40-K43 HydrophobicContact CB-CG 4.26Å; P40-K43 HydrophobicContact CG-CB 4.39Å; P40-K43 HydrophobicContact CG-CD 4.26Å; P40-K43 PolarHBondContact O-N 2.64Å; P41-K43 PolarHBondContact O-N 2.74Å
44	G	94.8	Very high	95.3	Very high	55 Å²	55	51.9 Å²	51.9	57%	0.567	29%	0.287	S	S	*	.			trans	-72.2	177.6	170.3	0	0	0	0	0	112.7
45	L	94.9	Very high	95.3	Very high	99 Å²	99	53.6 Å²	53.6	52%	0.518	31%	0.305	S	S	.	.			trans	-67.1	134.9	173.7	-68.2	163.4	0	0	0	110.6	I37 Q39 Y94 W109	I37-L45 HydrophobicContact CG2-CB 4.04Å; I37-L45 HydrophobicContact CG2-CD2 3.83Å; I37-L45 HydrophobicContact CG2-CG 4.48Å; Q39-L45 HydrophobicContact CB-CD2 4.02Å; L45-Y94 HydrophobicContact CD2-CD2 4.15Å; L45-Y94 HydrophobicContact CD2-CE2 4.13Å; L45-W109 HydrophobicContact CD1-CH2 3.84Å; L45-W109 HydrophobicContact CD1-CZ3 4.32Å; L45-W109 HydrophobicContact CD2-CH2 4.21Å; L45-W109 HydrophobicContact CD2-CZ3 4.08Å
46	E	95.3	Very high	95.2	Very high	52 Å²	52	57.2 Å²	57.2	24%	0.243	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.1	176.2	-176.3	-173.4	-174.5	0	0	109.2	I37 R38 I48	I37-E46 WeakPolarHBondContact CA-O 3.35Å; I37-E46 WeakPolarHBondContact CG2-O 3.41Å; R38-E46 HydrophobicContact CG-CB 4.17Å; R38-E46 IonicContact CZ-OE2 3.82Å; R38-E46 VanDerWaalsContact CZ-OE2 3.24Å; R38-E46 PolarHBondContact N-O 3.04Å; R38-E46 IonicContact NE-OE2 3.4Å; R38-E46 PolarHBondContact NE-OE2 2.75Å; R38-E46 IonicContact NH2-OE1 3.7Å; R38-E46 PolarHBondContact NH2-OE1 3.26Å; R38-E46 IonicContact NH2-OE2 2.74Å; R38-E46 PolarHBondContact NH2-OE2 3.09Å; R38-E46 PolarHBondContact O-N 2.84Å; E46-I48 PolarHBondContact O-N 2.83Å
47	W	94.3	Very high	95.1	Very high	120 Å²	120	60 Å²	60	46%	0.455	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.3	172	-115.3	-71.5	0	0	0	110.2	S35 I37 N60 V98 L106	S35-W47 VanDerWaalsContact CB-NE1 3.34Å; S35-W47 PolarHBondContact OG-NE1 2.87Å; S35-W47 VanDerWaalsContact OG-NE1 3.09Å; I37-W47 HydrophobicContact CD1-CD2 4.36Å; I37-W47 HydrophobicContact CD1-CZ2 4.02Å; I37-W47 HydrophobicContact CG1-CD2 4.2Å; I37-W47 HydrophobicContact CG1-CG 4.11Å; W47-N60 VanDerWaalsContact O-CB 3.25Å; W47-N60 WeakPolarHBondContact O-CB 3.31Å; W47-N60 PolarHBondContact O-ND2 3.35Å; W47-V98 HydrophobicContact CZ2-CG2 4.27Å; W47-L106 HydrophobicContact CH2-CD2 4.45Å; W47-L106 HydrophobicContact CZ2-CD2 4.23Å
48	I	96.8	Very high	95	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-45.2	174.2	-60.2	179.1	0	0	0	109.7	W36 R38 E46 N60 L63 V67 L80 Y93	W36-I48 HydrophobicContact CB-CB 4.2Å; W36-I48 HydrophobicContact CB-CD1 4.33Å; W36-I48 WeakPolarHBondContact O-CB 3.34Å; W36-I48 PolarHBondContact O-N 3.23Å; R38-I48 HydrophobicContact CB-CD1 4.03Å; R38-I48 HydrophobicContact CB-CG1 4.43Å; R38-I48 HydrophobicContact CG-CD1 4.03Å; R38-I48 HydrophobicContact CG-CG1 4.01Å; E46-I48 PolarHBondContact O-N 2.83Å; I48-N60 WeakPolarHBondContact O-CB 3.43Å; I48-N60 PolarHBondContact O-N 3.3Å; I48-L63 HydrophobicContact CB-CD1 4.36Å; I48-L63 HydrophobicContact CG1-CD1 4.12Å; I48-L63 HydrophobicContact CG2-CD1 4.16Å; I48-V67 HydrophobicContact CG2-CB 4.41Å; I48-V67 HydrophobicContact CG2-CG1 3.81Å; I48-V67 HydrophobicContact CG2-CG2 3.72Å; I48-L80 HydrophobicContact CD1-CD2 3.76Å; I48-L80 HydrophobicContact CG2-CD1 3.98Å; I48-Y93 HydrophobicContact CD1-CD1 3.77Å; I48-Y93 HydrophobicContact CD1-CE1 3.6Å
49	G	95.4	Very high	94.9	Very high	4 Å²	4	65 Å²	65	4%	0.041	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-179.6	-178.2	0	0	0	0	0	111.6	S35 W36 N58 I69	S35-G49 WeakPolarHBondContact CA-O 3.31Å; W36-G49 PolarHBondContact N-O 3.29Å; W36-G49 PolarHBondContact O-N 2.93Å; G49-N58 CarbonylContact C-O 3.6Å; G49-N58 WeakPolarHBondContact CA-O 3.47Å; G49-I69 VanDerWaalsContact C-CD1 3.48Å
50	Y	94.9	Very high	94.7	Very high	72 Å²	72	63.4 Å²	63.4	28%	0.282	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	161.5	176.1	68.3	-100.4	0	0	0	112.1	Q33 W34 T57 N58	Q33-Y50 HydrophobicContact CG-CD2 4.46Å; W34-Y50 CarbonylContact O-C 3.45Å; W34-Y50 WeakPolarHBondContact O-CA 3.23Å; W34-Y50 WeakPolarHBondContact O-CB 3.5Å; Y50-T57 VanDerWaalsContact O-CA 3.31Å; Y50-T57 WeakPolarHBondContact O-CA 3.38Å; Y50-N58 HydrophobicContact CD1-CB 3.93Å; Y50-N58 HydrophobicContact CD2-CB 4.47Å; Y50-N58 HydrophobicContact CE1-CB 3.35Å; Y50-N58 HydrophobicContact CE2-CB 3.95Å; Y50-N58 HydrophobicContact CG-CB 4.45Å; Y50-N58 PolarHBondContact N-O 3.36Å; Y50-N58 PolarHBondContact O-N 3.1Å
51	I	95.3	Very high	94.6	Very high	5 Å²	5	68.2 Å²	68.2	3%	0.026	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.6	171.2	-170.3	159.2	0	0	0	110.1	Q33 W34 S56 T57 I69 V71 F78	Q33-I51 WeakPolarHBondContact CA-O 3.37Å; W34-I51 HydrophobicContact CB-CG2 4.18Å; W34-I51 PolarHBondContact N-O 3.31Å; W34-I51 PolarHBondContact O-N 3.14Å; I51-S56 CarbonylContact C-O 3.56Å; I51-S56 WeakPolarHBondContact CA-O 3.38Å; I51-T57 HydrophobicContact CB-CG2 3.91Å; I51-T57 HydrophobicContact CD1-CG2 3.64Å; I51-T57 HydrophobicContact CG1-CG2 3.65Å; I51-I69 HydrophobicContact CB-CB 4.45Å; I51-I69 HydrophobicContact CB-CG2 3.63Å; I51-I69 HydrophobicContact CD1-CG2 4.34Å; I51-I69 HydrophobicContact CG2-CG2 3.44Å; I51-I69 VanDerWaalsContact CG2-CG2 3.44Å; I51-V71 HydrophobicContact CD1-CB 3.94Å; I51-V71 HydrophobicContact CD1-CG1 3.79Å; I51-V71 HydrophobicContact CG1-CB 4.31Å; I51-V71 HydrophobicContact CG1-CG1 4.14Å; I51-V71 HydrophobicContact CG2-CB 4.3Å; I51-F78 HydrophobicContact CG2-CB 4.43Å
52	Y	93.4	Very high	94.4	Very high	75 Å²	75	68.2 Å²	68.2	29%	0.294	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	151.4	165.4	-162.4	-126.2	0	0	0	109.7	Y32 Q33 S54 G55 S56	Y32-Y52 WeakPolarHBondContact O-CD2 3.33Å; Q33-Y52 HydrophobicContact CB-CD2 4.32Å; Q33-Y52 HydrophobicContact CG-CD2 3.37Å; Q33-Y52 HydrophobicContact CG-CE2 4.01Å; Q33-Y52 HydrophobicContact CG-CG 4.29Å; Y52-S54 WeakPolarHBondContact CD1-OG 3.02Å; Y52-S54 PolarHBondContact O-N 2.94Å; Y52-G55 PolarHBondContact O-N 3.04Å; Y52-S56 PolarHBondContact N-O 3.01Å
53	Y	90	Very high	94.2	Very high	91 Å²	91	64 Å²	64	36%	0.357	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.5	179.5	82.3	-90	0	0	0	113.8	R30 Y32 G55	R30-Y53 HydrophobicContact CB-CD2 4.46Å; R30-Y53 HydrophobicContact CG-CD2 4.48Å; Y32-Y53 PolarHBondContact O-N 2.96Å; Y53-G55 PolarHBondContact O-N 3.13Å
54	S	91.8	Very high	94.1	Very high	73 Å²	73	63.4 Å²	63.4	51%	0.51	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.7	174.9	71.7	0	0	0	0	114.2	Y52 S56	Y52-S54 WeakPolarHBondContact CD1-OG 3.02Å; Y52-S54 PolarHBondContact O-N 2.94Å; S54-S56 PolarHBondContact OG-OG 2.95Å
55	G	92.4	Very high	94.2	Very high	38 Å²	38	66.1 Å²	66.1	39%	0.392	36%	0.363	S	S	.	.	S	Bend	trans	98.8	-5.4	-178.2	0	0	0	0	0	115	Y52 Y53 T57	Y52-G55 PolarHBondContact O-N 3.04Å; Y53-G55 PolarHBondContact O-N 3.13Å; G55-T57 PolarHBondContact O-N 3.35Å
56	S	94.1	Very high	94.3	Very high	77 Å²	77	64 Å²	64	54%	0.538	35%	0.348	S	S	.	.			trans	-66	128.2	175.6	-58.6	0	0	0	0	111	I51 Y52 S54	I51-S56 CarbonylContact C-O 3.56Å; I51-S56 WeakPolarHBondContact CA-O 3.38Å; Y52-S56 PolarHBondContact N-O 3.01Å; S54-S56 PolarHBondContact OG-OG 2.95Å
57	T	95.1	Very high	94.4	Very high	59 Å²	59	61.8 Å²	61.8	36%	0.362	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.7	-176.3	49.7	0	0	0	0	112.4	Y50 I51 G55	Y50-T57 VanDerWaalsContact O-CA 3.31Å; Y50-T57 WeakPolarHBondContact O-CA 3.38Å; I51-T57 HydrophobicContact CB-CG2 3.91Å; I51-T57 HydrophobicContact CD1-CG2 3.64Å; I51-T57 HydrophobicContact CG1-CG2 3.65Å; G55-T57 PolarHBondContact O-N 3.35Å
58	N	94.7	Very high	94.6	Very high	83 Å²	83	59.5 Å²	59.5	44%	0.444	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.1	166.4	-169.1	-65.5	0	0	0	108.6	G49 Y50	G49-N58 CarbonylContact C-O 3.6Å; G49-N58 WeakPolarHBondContact CA-O 3.47Å; Y50-N58 HydrophobicContact CD1-CB 3.93Å; Y50-N58 HydrophobicContact CD2-CB 4.47Å; Y50-N58 HydrophobicContact CE1-CB 3.35Å; Y50-N58 HydrophobicContact CE2-CB 3.95Å; Y50-N58 HydrophobicContact CG-CB 4.45Å; Y50-N58 PolarHBondContact N-O 3.36Å; Y50-N58 PolarHBondContact O-N 3.1Å
59	Y	95.2	Very high	94.6	Very high	41 Å²	41	59.7 Å²	59.7	16%	0.161	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.3	-175.3	-56.7	-66.2	0	0	0	110.2	P61 K64 V67 I69	Y59-P61 WeakPolarHBondContact O-CD 3.36Å; Y59-K64 HydrophobicContact CD2-CG 4.06Å; Y59-K64 HydrophobicContact CG-CG 4.44Å; Y59-V67 HydrophobicContact CD1-CB 4.24Å; Y59-V67 HydrophobicContact CD1-CG1 3.6Å; Y59-V67 HydrophobicContact CE1-CB 4.48Å; Y59-V67 HydrophobicContact CE1-CG1 3.64Å; Y59-I69 HydrophobicContact CD1-CD1 4.14Å; Y59-I69 HydrophobicContact CE1-CB 4.1Å; Y59-I69 HydrophobicContact CE1-CD1 3.87Å; Y59-I69 HydrophobicContact CE1-CG1 3.85Å; Y59-I69 PolarHBondContact OH-N 3.37Å
60	N	94.3	Very high	94.7	Very high	40 Å²	40	62.1 Å²	62.1	21%	0.214	36%	0.355	C	S	.	.			trans	-57.8	124.6	163.9	-177.5	-30.3	0	0	0	109.3	W47 I48 S62 L63 K64	W47-N60 VanDerWaalsContact O-CB 3.25Å; W47-N60 WeakPolarHBondContact O-CB 3.31Å; W47-N60 PolarHBondContact O-ND2 3.35Å; I48-N60 WeakPolarHBondContact O-CB 3.43Å; I48-N60 PolarHBondContact O-N 3.3Å; N60-S62 PolarHBondContact O-N 3.46Å; N60-S62 VanDerWaalsContact O-N 3.08Å; N60-S62 PolarHBondContact OD1-N 2.87Å; N60-S62 VanDerWaalsContact OD1-N 3.07Å; N60-L63 PolarHBondContact O-N 3.36Å; N60-K64 PolarHBondContact O-N 3.21Å
61	P	94.7	Very high	94.8	Very high	112 Å²	112	60.3 Å²	60.3	73%	0.727	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-35.2	-177.4	-29.3	35.6	0	0	0	114.1	Y59 L63	Y59-P61 WeakPolarHBondContact O-CD 3.36Å; P61-L63 PolarHBondContact O-N 3.01Å
62	S	92.1	Very high	94.9	Very high	96 Å²	96	63.2 Å²	63.2	67%	0.671	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.1	-179.6	-59.9	0	0	0	0	114	N60	N60-S62 PolarHBondContact O-N 3.46Å; N60-S62 VanDerWaalsContact O-N 3.08Å; N60-S62 PolarHBondContact OD1-N 2.87Å; N60-S62 VanDerWaalsContact OD1-N 3.07Å
63	L	93.4	Very high	94.9	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.021	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-9.9	-177.1	-61	174.9	0	0	0	113.2	I48 N60 P61 S65 R66 V67	I48-L63 HydrophobicContact CB-CD1 4.36Å; I48-L63 HydrophobicContact CG1-CD1 4.12Å; I48-L63 HydrophobicContact CG2-CD1 4.16Å; N60-L63 PolarHBondContact O-N 3.36Å; P61-L63 PolarHBondContact O-N 3.01Å; L63-S65 PolarHBondContact O-N 2.87Å; L63-R66 PolarHBondContact O-N 3.03Å; L63-V67 HydrophobicContact CB-CG2 3.73Å; L63-V67 WeakPolarHBondContact O-CG2 3.38Å; L63-V67 PolarHBondContact O-N 2.84Å; L63-V67 VanDerWaalsContact O-N 3.13Å
64	K	93.5	Very high	95.2	Very high	135 Å²	135	62.7 Å²	62.7	59%	0.587	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.1	-171	-174.1	171.8	-176.4	179.5	0	114.9	Y59 N60 R66	Y59-K64 HydrophobicContact CD2-CG 4.06Å; Y59-K64 HydrophobicContact CG-CG 4.44Å; N60-K64 PolarHBondContact O-N 3.21Å; K64-R66 VanDerWaalsContact C-N 3.34Å
65	S	96	Very high	95.4	Very high	112 Å²	112	62.4 Å²	62.4	78%	0.783	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-16.3	-179.9	57.8	0	0	0	0	114.3	L63	L63-S65 PolarHBondContact O-N 2.87Å
66	R	96.9	Very high	95.6	Very high	53 Å²	53	62.2 Å²	62.2	20%	0.2	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-11.7	-174.7	-59	-172.3	-60.6	125.7	-3.9	113.6	L63 K64 L82 S83 S84 D89	L63-R66 PolarHBondContact O-N 3.03Å; K64-R66 VanDerWaalsContact C-N 3.34Å; R66-L82 HydrophobicContact CB-CD1 3.85Å; R66-L82 WeakPolarHBondContact O-CA 3.39Å; R66-S83 WeakPolarHBondContact CA-OG 3.06Å; R66-S83 PolarHBondContact NH1-O 2.8Å; R66-S83 PolarHBondContact O-N 2.04Å; R66-S83 PolarHBondContact O-OG 3.04Å; R66-S84 PolarHBondContact NH1-O 2.77Å; R66-D89 IonicContact CZ-OD1 3.04Å; R66-D89 IonicContact CZ-OD2 3.57Å; R66-D89 IonicContact NH1-OD1 3.71Å; R66-D89 IonicContact NH1-OD2 3.84Å; R66-D89 PolarHBondContact NH1-OD2 2.9Å; R66-D89 IonicContact NH2-OD1 3.64Å; R66-D89 PolarHBondContact NH2-OD1 2.85Å; R66-D89 IonicContact NH2-OD2 2.9Å
67	V	97.8	Very high	95.7	Very high	6 Å²	6	61.8 Å²	61.8	4%	0.036	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.1	-173	171.9	0	0	0	0	111.4	I48 Y59 L63 I69 L80 K81 L82	I48-V67 HydrophobicContact CG2-CB 4.41Å; I48-V67 HydrophobicContact CG2-CG1 3.81Å; I48-V67 HydrophobicContact CG2-CG2 3.72Å; Y59-V67 HydrophobicContact CD1-CB 4.24Å; Y59-V67 HydrophobicContact CD1-CG1 3.6Å; Y59-V67 HydrophobicContact CE1-CB 4.48Å; Y59-V67 HydrophobicContact CE1-CG1 3.64Å; L63-V67 HydrophobicContact CB-CG2 3.73Å; L63-V67 WeakPolarHBondContact O-CG2 3.38Å; L63-V67 PolarHBondContact O-N 2.84Å; L63-V67 VanDerWaalsContact O-N 3.13Å; V67-I69 HydrophobicContact CG1-CD1 4.36Å; V67-I69 HydrophobicContact CG1-CG1 3.99Å; V67-L80 HydrophobicContact CG1-CD1 3.65Å; V67-K81 WeakPolarHBondContact CA-O 3.44Å; V67-L82 HydrophobicContact CG2-CD1 3.51Å
68	T	98.2	Very high	95.9	Very high	73 Å²	73	59 Å²	59	45%	0.448	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.3	164.3	-58.3	0	0	0	0	108.7	K81	T68-K81 PolarHBondContact N-O 2.75Å; T68-K81 PolarHBondContact O-N 2.94Å
69	I	98.1	Very high	96	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140	170.5	-61.2	167.8	0	0	0	108.1	G49 I51 Y59 V67 S79 L80	G49-I69 VanDerWaalsContact C-CD1 3.48Å; I51-I69 HydrophobicContact CB-CB 4.45Å; I51-I69 HydrophobicContact CB-CG2 3.63Å; I51-I69 HydrophobicContact CD1-CG2 4.34Å; I51-I69 HydrophobicContact CG2-CG2 3.44Å; I51-I69 VanDerWaalsContact CG2-CG2 3.44Å; Y59-I69 HydrophobicContact CD1-CD1 4.14Å; Y59-I69 HydrophobicContact CE1-CB 4.1Å; Y59-I69 HydrophobicContact CE1-CD1 3.87Å; Y59-I69 HydrophobicContact CE1-CG1 3.85Å; Y59-I69 PolarHBondContact OH-N 3.37Å; V67-I69 HydrophobicContact CG1-CD1 4.36Å; V67-I69 HydrophobicContact CG1-CG1 3.99Å; I69-S79 VanDerWaalsContact CA-O 3.3Å; I69-S79 WeakPolarHBondContact CA-O 3.45Å; I69-S79 WeakPolarHBondContact CG2-O 3.39Å; I69-L80 HydrophobicContact CG1-CD1 3.91Å
70	S	97.6	Very high	96.2	Very high	54 Å²	54	54.7 Å²	54.7	38%	0.378	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.9	-180	-61.5	0	0	0	0	111.1	F78 S79	S70-F78 CarbonylContact O-C 3.5Å; S70-F78 WeakPolarHBondContact O-CA 3.06Å; S70-F78 VanDerWaalsContact O-CB 3.28Å; S70-F78 WeakPolarHBondContact O-CB 3.38Å; S70-S79 PolarHBondContact N-O 3.22Å; S70-S79 PolarHBondContact O-N 2.87Å
71	V	96.9	Very high	96.4	Very high	35 Å²	35	58.1 Å²	58.1	21%	0.212	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.3	-179.7	65.8	0	0	0	0	109.4	I29 I51 T73 F78	I29-V71 HydrophobicContact CD1-CG2 3.6Å; I29-V71 HydrophobicContact CG1-CG2 4.12Å; I51-V71 HydrophobicContact CD1-CB 3.94Å; I51-V71 HydrophobicContact CD1-CG1 3.79Å; I51-V71 HydrophobicContact CG1-CB 4.31Å; I51-V71 HydrophobicContact CG1-CG1 4.14Å; I51-V71 HydrophobicContact CG2-CB 4.3Å; V71-T73 HydrophobicContact CG2-CG2 4.47Å; V71-F78 HydrophobicContact CB-CB 4.42Å; V71-F78 HydrophobicContact CG2-CB 4.37Å
72	D	96.2	Very high	96.6	Very high	66 Å²	66	52.9 Å²	52.9	35%	0.353	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	103.1	173.8	-178.4	-1.4	0	0	0	109.3	S74 T75 N76 Q77	D72-S74 VanDerWaalsContact C-N 3.26Å; D72-S74 PolarHBondContact O-N 2.82Å; D72-S74 WeakPolarHBondContact OD1-CB 3.35Å; D72-S74 PolarHBondContact OD1-N 3.02Å; D72-S74 PolarHBondContact OD1-OG 2.95Å; D72-S74 PolarHBondContact OD2-OG 2.91Å; D72-T75 WeakPolarHBondContact CB-OG1 3.4Å; D72-T75 PolarHBondContact OD1-N 2.96Å; D72-T75 WeakPolarHBondContact OD2-CG2 3.31Å; D72-T75 PolarHBondContact OD2-OG1 3.2Å; D72-N76 PolarHBondContact O-N 3.34Å; D72-Q77 PolarHBondContact N-O 2.89Å; D72-Q77 PolarHBondContact O-N 3.03Å
73	T	95	Very high	96.8	Very high	51 Å²	51	50.2 Å²	50.2	31%	0.313	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-14.7	-179.6	70.9	0	0	0	0	113.6	I29 R30 V71	I29-T73 HydrophobicContact CG2-CG2 4Å; R30-T73 HydrophobicContact CG-CG2 4.42Å; V71-T73 HydrophobicContact CG2-CG2 4.47Å
74	S	95.1	Very high	97	Very high	103 Å²	103	53.3 Å²	53.3	72%	0.72	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-32.2	177.8	74	0	0	0	0	111.8	D72	D72-S74 VanDerWaalsContact C-N 3.26Å; D72-S74 PolarHBondContact O-N 2.82Å; D72-S74 WeakPolarHBondContact OD1-CB 3.35Å; D72-S74 PolarHBondContact OD1-N 3.02Å; D72-S74 PolarHBondContact OD1-OG 2.95Å; D72-S74 PolarHBondContact OD2-OG 2.91Å
75	T	96.4	Very high	97.2	Very high	67 Å²	67	47 Å²	47	41%	0.411	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	3.8	179.8	61.4	0	0	0	0	113.3	D72 Q77	D72-T75 WeakPolarHBondContact CB-OG1 3.4Å; D72-T75 PolarHBondContact OD1-N 2.96Å; D72-T75 WeakPolarHBondContact OD2-CG2 3.31Å; D72-T75 PolarHBondContact OD2-OG1 3.2Å; T75-Q77 VanDerWaalsContact C-N 3.27Å; T75-Q77 WeakPolarHBondContact O-CG 3.17Å; T75-Q77 PolarHBondContact O-N 2.89Å; T75-Q77 PolarHBondContact O-NE2 2.87Å; T75-Q77 VanDerWaalsContact O-NE2 3.11Å
76	N	96.2	Very high	97.3	Very high	35 Å²	35	44.8 Å²	44.8	19%	0.187	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	40.9	179.6	-144.5	44.7	0	0	0	112.6	V24 G27 I29 D72	V24-N76 WeakPolarHBondContact CB-O 3.28Å; V24-N76 PolarHBondContact N-O 3.26Å; V24-N76 PolarHBondContact O-ND2 2.97Å; G27-N76 PolarHBondContact O-ND2 3.07Å; I29-N76 WeakPolarHBondContact CB-OD1 3.37Å; I29-N76 VanDerWaalsContact CG2-OD1 3.29Å; I29-N76 WeakPolarHBondContact CG2-OD1 3.49Å; I29-N76 PolarHBondContact N-OD1 3.08Å; D72-N76 PolarHBondContact O-N 3.34Å
77	Q	97.5	Very high	97.3	Very high	67 Å²	67	45.6 Å²	45.6	31%	0.313	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153.8	-173	-80.3	166.5	73.3	0	0	111.7	T21 C22 A23 I29 D72 T75	T21-Q77 HydrophobicContact CG2-CB 4.05Å; T21-Q77 HydrophobicContact CG2-CG 4.04Å; C22-Q77 WeakPolarHBondContact O-CA 3.38Å; A23-Q77 HydrophobicContact CB-CG 4.02Å; I29-Q77 VanDerWaalsContact CD1-C 3.41Å; I29-Q77 VanDerWaalsContact CD1-O 3.27Å; I29-Q77 WeakPolarHBondContact CD1-O 3.45Å; D72-Q77 PolarHBondContact N-O 2.89Å; D72-Q77 PolarHBondContact O-N 3.03Å; T75-Q77 VanDerWaalsContact C-N 3.27Å; T75-Q77 WeakPolarHBondContact O-CG 3.17Å; T75-Q77 PolarHBondContact O-N 2.89Å; T75-Q77 PolarHBondContact O-NE2 2.87Å; T75-Q77 VanDerWaalsContact O-NE2 3.11Å
78	F	97.5	Very high	97.2	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.3	165.6	63	-76.5	0	0	0	109.7	C22 V24 I29 W34 W36 I51 S70 V71 C95	C22-F78 HydrophobicContact CB-CD1 4.07Å; C22-F78 HydrophobicContact CB-CD2 4.4Å; C22-F78 HydrophobicContact CB-CE1 3.66Å; C22-F78 HydrophobicContact CB-CE2 4Å; C22-F78 HydrophobicContact CB-CG 4.45Å; C22-F78 HydrophobicContact CB-CZ 3.65Å; C22-F78 PolarHBondContact N-O 3.05Å; C22-F78 PolarHBondContact O-N 3.45Å; C22-F78 VanDerWaalsContact O-N 3.09Å; C22-F78 WeakPolarHBondContact SG-CE1 3.4Å; C22-F78 WeakPolarHBondContact SG-CZ 3.27Å; V24-F78 HydrophobicContact CG2-CD1 4.25Å; V24-F78 HydrophobicContact CG2-CE1 4.03Å; I29-F78 HydrophobicContact CD1-CB 4.19Å; I29-F78 HydrophobicContact CD1-CD1 3.91Å; W34-F78 HydrophobicContact CB-CD1 3.96Å; W34-F78 HydrophobicContact CB-CD2 3.81Å; W34-F78 HydrophobicContact CB-CE1 3.86Å; W34-F78 HydrophobicContact CB-CE2 3.73Å; W34-F78 HydrophobicContact CB-CG 3.91Å; W34-F78 HydrophobicContact CB-CZ 3.7Å; W34-F78 HydrophobicContact CD2-CD1 4.18Å; W34-F78 AromaticContact CD2-CE1 3.78Å; W34-F78 HydrophobicContact CD2-CE1 3.78Å; W34-F78 HydrophobicContact CD2-CZ 4.24Å; W34-F78 HydrophobicContact CE3-CD1 4.33Å; W34-F78 AromaticContact CE3-CE1 3.49Å; W34-F78 HydrophobicContact CE3-CE1 3.49Å; W34-F78 VanDerWaalsContact CE3-CE1 3.49Å; W34-F78 AromaticContact CE3-CZ 3.8Å; W34-F78 HydrophobicContact CE3-CZ 3.8Å; W34-F78 HydrophobicContact CG-CD1 4.02Å; W34-F78 AromaticContact CG-CE1 3.95Å; W34-F78 HydrophobicContact CG-CE1 3.95Å; W34-F78 HydrophobicContact CG-CG 4.37Å; W34-F78 HydrophobicContact CG-CZ 4.25Å; W34-F78 HydrophobicContact CZ3-CE1 4.31Å; W36-F78 AromaticContact CD1-CD2 3.94Å; W36-F78 AromaticContact CD1-CE2 3.97Å; W36-F78 AromaticContact CE2-CE2 3.94Å; W36-F78 HydrophobicContact CZ2-CD2 4.49Å; W36-F78 HydrophobicContact CZ2-CE2 4.42Å; W36-F78 AromaticContact NE1-CD2 3.33Å; W36-F78 VanDerWaalsContact NE1-CD2 3.33Å; W36-F78 AromaticContact NE1-CE2 3.56Å; I51-F78 HydrophobicContact CG2-CB 4.43Å; S70-F78 CarbonylContact O-C 3.5Å; S70-F78 WeakPolarHBondContact O-CA 3.06Å; S70-F78 VanDerWaalsContact O-CB 3.28Å; S70-F78 WeakPolarHBondContact O-CB 3.38Å; V71-F78 HydrophobicContact CB-CB 4.42Å; V71-F78 HydrophobicContact CG2-CB 4.37Å; F78-C95 HydrophobicContact CE2-CB 3.85Å; F78-C95 HydrophobicContact CZ-CB 3.53Å
79	S	98.3	Very high	97.2	Very high	32 Å²	32	45.4 Å²	45.4	22%	0.224	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155.2	-171.9	55.9	0	0	0	0	112.2	L20 I69 S70	L20-S79 CarbonylContact O-C 3.59Å; L20-S79 WeakPolarHBondContact O-CA 3.39Å; L20-S79 WeakPolarHBondContact O-CB 3.47Å; I69-S79 VanDerWaalsContact CA-O 3.3Å; I69-S79 WeakPolarHBondContact CA-O 3.45Å; I69-S79 WeakPolarHBondContact CG2-O 3.39Å; S70-S79 PolarHBondContact N-O 3.22Å; S70-S79 PolarHBondContact O-N 2.87Å
80	L	98.6	Very high	97.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.1	172	172.3	68.2	0	0	0	108	S19 L20 W36 I48 V67 I69 Y93	S19-L80 CarbonylContact C-O 3.49Å; S19-L80 WeakPolarHBondContact CA-O 3.47Å; L20-L80 HydrophobicContact CB-CB 4.38Å; L20-L80 HydrophobicContact CD1-CD2 4.36Å; L20-L80 PolarHBondContact N-O 3.16Å; L20-L80 PolarHBondContact O-N 2.89Å; W36-L80 HydrophobicContact CB-CD2 4.24Å; W36-L80 HydrophobicContact CD2-CB 3.71Å; W36-L80 HydrophobicContact CD2-CD2 4.08Å; W36-L80 HydrophobicContact CD2-CG 4.47Å; W36-L80 HydrophobicContact CE3-CB 4.39Å; W36-L80 HydrophobicContact CE3-CD2 4.2Å; W36-L80 HydrophobicContact CG-CB 3.82Å; W36-L80 HydrophobicContact CG-CD1 4.47Å; W36-L80 HydrophobicContact CG-CD2 4.12Å; W36-L80 HydrophobicContact CG-CG 4.37Å; W36-L80 HydrophobicContact CZ2-CB 4.11Å; I48-L80 HydrophobicContact CD1-CD2 3.76Å; I48-L80 HydrophobicContact CG2-CD1 3.98Å; V67-L80 HydrophobicContact CG1-CD1 3.65Å; I69-L80 HydrophobicContact CG1-CD1 3.91Å; L80-Y93 HydrophobicContact CD2-CD1 3.89Å; L80-Y93 HydrophobicContact CD2-CE1 4.05Å
81	K	98.5	Very high	97.3	Very high	112 Å²	112	43.9 Å²	43.9	49%	0.487	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.5	162.4	-67.2	-174.7	177	-179.9	0	109	T17 L18 V67 T68	T17-K81 HydrophobicContact CG2-CB 4.34Å; L18-K81 CarbonylContact O-C 3.58Å; L18-K81 VanDerWaalsContact O-CA 3.3Å; L18-K81 WeakPolarHBondContact O-CA 3.32Å; V67-K81 WeakPolarHBondContact CA-O 3.44Å; T68-K81 PolarHBondContact N-O 2.75Å; T68-K81 PolarHBondContact O-N 2.94Å
82	L	98.2	Very high	97.3	Very high	2 Å²	2	44 Å²	44	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111	173.4	179.1	67.2	0	0	0	108.2	T17 L18 R66 V67 V85 D89	T17-L82 CarbonylContact C-O 3.48Å; T17-L82 WeakPolarHBondContact CA-O 3.47Å; L18-L82 HydrophobicContact CB-CB 4.33Å; L18-L82 PolarHBondContact N-O 2.77Å; L18-L82 PolarHBondContact O-N 2.83Å; R66-L82 HydrophobicContact CB-CD1 3.85Å; R66-L82 WeakPolarHBondContact O-CA 3.39Å; V67-L82 HydrophobicContact CG2-CD1 3.51Å; L82-V85 HydrophobicContact CB-CG1 4.37Å; L82-V85 HydrophobicContact CD2-CG1 4.03Å; L82-V85 HydrophobicContact CG-CG1 3.97Å; L82-V85 WeakPolarHBondContact O-CG1 3.42Å; L82-D89 HydrophobicContact CD2-CB 3.94Å
83	S	98.1	Very high	97.5	Very high	40 Å²	40	40.9 Å²	40.9	28%	0.28	26%	0.259	S	S	.	.			trans	-84.9	159	-179.2	62.5	0	0	0	0	112.1	R66 V85	R66-S83 WeakPolarHBondContact CA-OG 3.06Å; R66-S83 PolarHBondContact NH1-O 2.8Å; R66-S83 PolarHBondContact O-N 2.04Å; R66-S83 PolarHBondContact O-OG 3.04Å; S83-V85 VanDerWaalsContact C-N 3.32Å; S83-V85 PolarHBondContact O-N 3.26Å
84	S	97	Very high	97.6	Very high	69 Å²	69	40.3 Å²	40.3	48%	0.483	25%	0.252	S	S	.	.	S	Bend	trans	50.1	52.6	175.3	-56.7	0	0	0	0	111.8	E16 R66	E16-S84 PolarHBondContact O-N 2.96Å; E16-S84 VanDerWaalsContact O-N 3.16Å; R66-S84 PolarHBondContact NH1-O 2.77Å
85	V	97.9	Very high	97.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	22%	0.217	C	C	.	.			trans	-65.3	147.8	-175.9	-62.6	0	0	0	0	111.6	V12 R13 P14 S15 E16 L18 L82 S83 D89 V117	V12-V85 HydrophobicContact CB-CG2 4.44Å; V12-V85 HydrophobicContact CG1-CG2 3.72Å; R13-V85 WeakPolarHBondContact O-CG2 3.45Å; P14-V85 CarbonylContact C-O 3.58Å; P14-V85 WeakPolarHBondContact CA-O 3.48Å; S15-V85 PolarHBondContact N-O 2.78Å; E16-V85 PolarHBondContact O-N 2.79Å; E16-V85 VanDerWaalsContact O-N 3.1Å; L18-V85 HydrophobicContact CB-CG1 3.79Å; L82-V85 HydrophobicContact CB-CG1 4.37Å; L82-V85 HydrophobicContact CD2-CG1 4.03Å; L82-V85 HydrophobicContact CG-CG1 3.97Å; L82-V85 WeakPolarHBondContact O-CG1 3.42Å; S83-V85 VanDerWaalsContact C-N 3.32Å; S83-V85 PolarHBondContact O-N 3.26Å; V85-D89 WeakPolarHBondContact CA-OD2 3.37Å; V85-D89 HydrophobicContact CB-CB 4.38Å; V85-V117 HydrophobicContact CB-CG1 4.25Å; V85-V117 HydrophobicContact CB-CG2 4.13Å; V85-V117 HydrophobicContact CG2-CG1 3.75Å; V85-V117 HydrophobicContact CG2-CG2 4.07Å
86	T	97.4	Very high	97.5	Very high	66 Å²	66	32.2 Å²	32.2	41%	0.405	20%	0.198	S	C	.	.			trans	-124.5	168.8	177.8	66	0	0	0	0	110	A88 D89 V117	T86-A88 PolarHBondContact O-N 2.88Å; T86-A88 PolarHBondContact OG1-N 2.87Å; T86-D89 PolarHBondContact N-OD2 3.33Å; T86-D89 WeakPolarHBondContact O-CB 3.37Å; T86-D89 PolarHBondContact O-N 2.81Å; T86-D89 PolarHBondContact OG1-OD2 2.92Å; T86-V117 VanDerWaalsContact C-CG1 3.49Å; T86-V117 VanDerWaalsContact O-CB 3.31Å; T86-V117 WeakPolarHBondContact O-CB 3.45Å; T86-V117 WeakPolarHBondContact O-CG1 3.35Å
87	A	97.4	Very high	97.3	Very high	70 Å²	70	31.9 Å²	31.9	58%	0.579	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-53.4	-29.6	174.5	0	0	0	0	0	112.9	D89 T90	A87-D89 PolarHBondContact O-N 2.85Å; A87-T90 VanDerWaalsContact O-CB 3.28Å; A87-T90 WeakPolarHBondContact O-CB 3.21Å; A87-T90 PolarHBondContact O-N 2.81Å; A87-T90 VanDerWaalsContact O-N 3.13Å; A87-T90 PolarHBondContact O-OG1 2.86Å; A87-T90 VanDerWaalsContact O-OG1 3.05Å
88	A	96.1	Very high	96.3	Very high	73 Å²	73	29.6 Å²	29.6	60%	0.603	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-68.7	-16.2	176.7	0	0	0	0	0	113.9	T86 T90	T86-A88 PolarHBondContact O-N 2.88Å; T86-A88 PolarHBondContact OG1-N 2.87Å; A88-T90 VanDerWaalsContact C-N 3.29Å
89	D	97.7	Very high	94.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.011	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-87	2.1	174.8	-57.9	-55.3	0	0	0	112.1	R38 R66 L82 V85 T86 A87 A91 Y93 V117	R38-D89 IonicContact CZ-OD1 3.24Å; R38-D89 IonicContact NH1-OD1 2.77Å; R38-D89 PolarHBondContact NH1-OD1 3.47Å; R66-D89 IonicContact CZ-OD1 3.04Å; R66-D89 IonicContact CZ-OD2 3.57Å; R66-D89 IonicContact NH1-OD1 3.71Å; R66-D89 IonicContact NH1-OD2 3.84Å; R66-D89 PolarHBondContact NH1-OD2 2.9Å; R66-D89 IonicContact NH2-OD1 3.64Å; R66-D89 PolarHBondContact NH2-OD1 2.85Å; R66-D89 IonicContact NH2-OD2 2.9Å; L82-D89 HydrophobicContact CD2-CB 3.94Å; V85-D89 WeakPolarHBondContact CA-OD2 3.37Å; V85-D89 HydrophobicContact CB-CB 4.38Å; T86-D89 PolarHBondContact N-OD2 3.33Å; T86-D89 WeakPolarHBondContact O-CB 3.37Å; T86-D89 PolarHBondContact O-N 2.81Å; T86-D89 PolarHBondContact OG1-OD2 2.92Å; A87-D89 PolarHBondContact O-N 2.85Å; D89-A91 PolarHBondContact O-N 2.8Å; D89-Y93 WeakPolarHBondContact O-CE2 3.3Å; D89-Y93 PolarHBondContact O-OH 3.43Å; D89-V117 HydrophobicContact CB-CG2 4.35Å
90	T	98.5	Very high	92.7	Very high	27 Å²	27	35.5 Å²	35.5	17%	0.166	21%	0.211	C	C	.	.			trans	-65.1	118.7	168.3	-63.3	0	0	0	0	109.8	P41 A87 A88 V115 V117	P41-T90 WeakPolarHBondContact CD-O 3.25Å; P41-T90 HydrophobicContact CG-CG2 4.38Å; A87-T90 VanDerWaalsContact O-CB 3.28Å; A87-T90 WeakPolarHBondContact O-CB 3.21Å; A87-T90 PolarHBondContact O-N 2.81Å; A87-T90 VanDerWaalsContact O-N 3.13Å; A87-T90 PolarHBondContact O-OG1 2.86Å; A87-T90 VanDerWaalsContact O-OG1 3.05Å; A88-T90 VanDerWaalsContact C-N 3.29Å; T90-V115 WeakPolarHBondContact CA-O 3.39Å; T90-V117 PolarHBondContact OG1-N 3Å
91	A	98.4	Very high	90.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	166.5	-175.9	0	0	0	0	0	111.2	R38 Q39 P40 D89 Y93 V115	R38-A91 HydrophobicContact CB-CB 3.87Å; R38-A91 HydrophobicContact CG-CB 4.45Å; Q39-A91 WeakPolarHBondContact O-CA 3.38Å; Q39-A91 WeakPolarHBondContact O-CB 3.45Å; P40-A91 HydrophobicContact CG-CB 4.39Å; D89-A91 PolarHBondContact O-N 2.8Å; A91-Y93 HydrophobicContact CB-CD2 4.21Å; A91-Y93 HydrophobicContact CB-CE2 3.77Å; A91-Y93 WeakPolarHBondContact O-CD2 3.22Å; A91-V115 PolarHBondContact N-O 3.44Å; A91-V115 VanDerWaalsContact N-O 3.14Å; A91-V115 PolarHBondContact O-N 3.3Å
92	V	98.6	Very high	88.1	Confident	37 Å²	37	45.8 Å²	45.8	22%	0.224	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.7	157.9	-172.4	0	0	0	0	108.1	R38 Q39 Y94 T113 L114	R38-V92 CarbonylContact C-O 3.48Å; R38-V92 VanDerWaalsContact CA-O 3.25Å; R38-V92 WeakPolarHBondContact CA-O 3.28Å; Q39-V92 PolarHBondContact N-O 2.93Å; Q39-V92 PolarHBondContact O-N 3.47Å; V92-Y94 HydrophobicContact CB-CE2 3.81Å; V92-Y94 HydrophobicContact CG1-CD2 4.4Å; V92-Y94 HydrophobicContact CG1-CE1 3.82Å; V92-Y94 HydrophobicContact CG1-CE2 3.67Å; V92-Y94 WeakPolarHBondContact CG1-OH 3.5Å; V92-T113 CarbonylContact C-O 3.58Å; V92-T113 WeakPolarHBondContact CA-O 3.16Å; V92-L114 HydrophobicContact CG2-CD1 4.15Å
93	Y	98.5	Very high	85.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.9	-179.7	-73.1	-102.1	0	0	0	109.7	L18 L20 I37 R38 I48 L80 D89 A91 G112 T113 V115	L18-Y93 HydrophobicContact CD2-CE1 4.09Å; L18-Y93 HydrophobicContact CD2-CE2 4.07Å; L20-Y93 VanDerWaalsContact CD1-CB 3.42Å; L20-Y93 HydrophobicContact CD1-CD1 3.71Å; L20-Y93 HydrophobicContact CD1-CD2 4.15Å; L20-Y93 HydrophobicContact CD1-CG 3.5Å; L20-Y93 VanDerWaalsContact CD1-CG 3.5Å; I37-Y93 CarbonylContact O-C 3.47Å; I37-Y93 WeakPolarHBondContact O-CA 3.4Å; R38-Y93 HydrophobicContact CB-CD1 3.95Å; R38-Y93 HydrophobicContact CB-CE1 3.94Å; R38-Y93 HydrophobicContact CB-CG 4.32Å; I48-Y93 HydrophobicContact CD1-CD1 3.77Å; I48-Y93 HydrophobicContact CD1-CE1 3.6Å; L80-Y93 HydrophobicContact CD2-CD1 3.89Å; L80-Y93 HydrophobicContact CD2-CE1 4.05Å; D89-Y93 WeakPolarHBondContact O-CE2 3.3Å; D89-Y93 PolarHBondContact O-OH 3.43Å; A91-Y93 HydrophobicContact CB-CD2 4.21Å; A91-Y93 HydrophobicContact CB-CE2 3.77Å; A91-Y93 WeakPolarHBondContact O-CD2 3.22Å; Y93-G112 CarbonylContact O-C 3.5Å; Y93-G112 WeakPolarHBondContact O-CA 3.29Å; Y93-T113 PolarHBondContact N-O 3.4Å; Y93-T113 PolarHBondContact O-N 2.87Å; Y93-V115 HydrophobicContact CD2-CB 3.93Å; Y93-V115 HydrophobicContact CD2-CG2 3.7Å; Y93-V115 HydrophobicContact CE2-CB 3.82Å; Y93-V115 HydrophobicContact CE2-CG2 4.04Å
94	Y	97.9	Very high	83.6	Confident	39 Å²	39	59.7 Å²	59.7	15%	0.153	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.9	-179.1	-56.6	-86.7	0	0	0	110.3	E6 I37 Q39 L45 V92 W109 Q111 G112	E6-Y94 WeakPolarHBondContact OE1-CA 3.18Å; I37-Y94 PolarHBondContact N-O 2.87Å; I37-Y94 PolarHBondContact O-N 3.24Å; Q39-Y94 HydrophobicContact CB-CE2 3.91Å; L45-Y94 HydrophobicContact CD2-CD2 4.15Å; L45-Y94 HydrophobicContact CD2-CE2 4.13Å; V92-Y94 HydrophobicContact CB-CE2 3.81Å; V92-Y94 HydrophobicContact CG1-CD2 4.4Å; V92-Y94 HydrophobicContact CG1-CE1 3.82Å; V92-Y94 HydrophobicContact CG1-CE2 3.67Å; V92-Y94 WeakPolarHBondContact CG1-OH 3.5Å; Y94-W109 HydrophobicContact CD1-CE3 4.13Å; Y94-W109 HydrophobicContact CD1-CZ3 4.42Å; Y94-W109 HydrophobicContact CD2-CZ3 4.24Å; Y94-W109 AromaticContact CG-CE3 3.97Å; Y94-W109 HydrophobicContact CG-CE3 3.97Å; Y94-W109 AromaticContact CG-CZ3 3.9Å; Y94-W109 HydrophobicContact CG-CZ3 3.9Å; Y94-Q111 WeakPolarHBondContact CE1-O 3.27Å; Y94-G112 VanDerWaalsContact CD1-CA 3.44Å
95	C	95.9	Very high	81.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.5	165.2	68.6	0	0	0	0	110.5	L4 E6 C22 S35 W36 F78 W109 G110	L4-C95 WeakPolarHBondContact CD1-O 3.3Å; E6-C95 HydrophobicContact CG-CB 4.15Å; E6-C95 VanDerWaalsContact CG-SG 3.59Å; E6-C95 PolarHBondContact OE1-N 2.76Å; E6-C95 PolarHBondContact OE1-SG 2.8Å; E6-C95 VanDerWaalsContact OE1-SG 3.37Å; C22-C95 HydrophobicContact CB-CB 3.39Å; C22-C95 WeakPolarHBondContact CB-SG 3.33Å; C22-C95 WeakPolarHBondContact SG-CB 3.44Å; C22-C95 CovalentContact SG-SG 2.04Å; C22-C95 PolarHBondContact SG-SG 2.99Å; S35-C95 WeakPolarHBondContact O-CA 3.38Å; W36-C95 HydrophobicContact CE3-CB 4.28Å; W36-C95 HydrophobicContact CH2-CB 4.24Å; W36-C95 HydrophobicContact CZ2-CB 4.46Å; W36-C95 HydrophobicContact CZ3-CB 4.15Å; F78-C95 HydrophobicContact CE2-CB 3.85Å; F78-C95 HydrophobicContact CZ-CB 3.53Å; C95-W109 WeakPolarHBondContact O-CA 3.35Å; C95-G110 PolarHBondContact O-N 2.87Å
96	A	94.4	Very high	79.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	150.6	-175.8	0	0	0	0	0	111.6	S35 I37 L106 P108 W109	S35-A96 PolarHBondContact N-O 3.44Å; S35-A96 PolarHBondContact O-N 3.09Å; I37-A96 HydrophobicContact CD1-CB 4.04Å; A96-L106 HydrophobicContact CB-CD2 4.23Å; A96-P108 WeakPolarHBondContact CA-O 3.36Å; A96-W109 HydrophobicContact CB-CD2 3.98Å; A96-W109 HydrophobicContact CB-CG 4.03Å; A96-W109 HydrophobicContact CB-CZ2 4.41Å
97	R	90.7	Very high	78.8	Confident	28 Å²	28	68.7 Å²	68.7	11%	0.106	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.3	169.7	-166.7	175.2	77.3	175.2	1.8	109.8	Y32 W34 D107 P108	Y32-R97 HydrophobicContact CD1-CG 4.1Å; Y32-R97 HydrophobicContact CG-CG 4.09Å; W34-R97 HydrophobicContact CE3-CB 3.98Å; W34-R97 HydrophobicContact CE3-CG 4.2Å; W34-R97 HydrophobicContact CH2-CB 4.03Å; W34-R97 HydrophobicContact CH2-CG 3.8Å; W34-R97 HydrophobicContact CZ2-CG 4.19Å; W34-R97 HydrophobicContact CZ3-CB 3.53Å; W34-R97 HydrophobicContact CZ3-CG 3.77Å; R97-D107 IonicContact CZ-OD2 3.9Å; R97-D107 IonicContact NE-OD2 2.75Å; R97-D107 VanDerWaalsContact NH2-CG 3.28Å; R97-D107 IonicContact NH2-OD2 2.83Å; R97-D107 PolarHBondContact NH2-OD2 3.29Å; R97-P108 HydrophobicContact CB-CG 3.73Å; R97-P108 PolarHBondContact N-O 2.96Å
98	V	77.3	Confident	78.3	Confident	20 Å²	20	66.1 Å²	66.1	12%	0.121	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.6	172	-177.2	0	0	0	0	108.7	Q33 S35 W47 L106	Q33-V98 HydrophobicContact CB-CB 4.31Å; Q33-V98 PolarHBondContact N-O 3.04Å; Q33-V98 PolarHBondContact O-N 2.79Å; S35-V98 VanDerWaalsContact OG-CG2 3.31Å; S35-V98 WeakPolarHBondContact OG-CG2 3.45Å; W47-V98 HydrophobicContact CZ2-CG2 4.27Å; V98-L106 HydrophobicContact CG2-CD2 3.89Å
99	Y	64.2	Low	78.1	Confident	130 Å²	130	66.5 Å²	66.5	51%	0.51	32%	0.315	S	S	.	.			trans	-88.1	128	173.6	-156.5	-91.7	0	0	0	109.3	Y32	Y32-Y99 HydrophobicContact CD1-CD2 4.28Å; Y32-Y99 HydrophobicContact CE1-CD2 4.18Å; Y32-Y99 HydrophobicContact CE1-CE2 4.17Å
100	G	56.5	Low	78	Confident	27 Å²	27	66.6 Å²	66.6	28%	0.278	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	141.2	179	0	0	0	0	0	111.7
101	D	49.9	Very low	77.9	Confident	157 Å²	157	73.7 Å²	73.7	84%	0.84	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-9.4	176.6	-58.4	-24.6	0	0	0	118.7
102	Y	48.9	Very low	77.8	Confident	173 Å²	173	74.7 Å²	74.7	68%	0.678	36%	0.358	S	S	*	.			trans	-137.4	104.6	168.5	-58.1	-83.1	0	0	0	109.5	N104	Y102-N104 PolarHBondContact O-N 2.78Å
103	E	51.9	Low	77.8	Confident	187 Å²	187	74.2 Å²	74.2	87%	0.874	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	2.6	177.4	-66.4	-176.6	149.5	0	0	114.9
104	N	51.4	Low	77.8	Confident	147 Å²	147	79 Å²	79	79%	0.786	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	4.8	-163.4	-64.1	-35.2	0	0	0	115.4	Y102	Y102-N104 PolarHBondContact O-N 2.78Å
105	W	56.5	Low	77.8	Confident	182 Å²	182	77.2 Å²	77.2	69%	0.689	37%	0.373	S	S	*	.			trans	-129.2	96	175.1	-145.8	-67.1	0	0	0	113	D107	W105-D107 PolarHBondContact NE1-OD1 2.82Å; W105-D107 PolarHBondContact O-N 3.43Å
106	L	60.7	Low	78	Confident	68 Å²	68	79.6 Å²	79.6	36%	0.356	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	104.2	168.8	-70.4	157	0	0	0	108.5	W47 A96 V98 W109	W47-L106 HydrophobicContact CH2-CD2 4.45Å; W47-L106 HydrophobicContact CZ2-CD2 4.23Å; A96-L106 HydrophobicContact CB-CD2 4.23Å; V98-L106 HydrophobicContact CG2-CD2 3.89Å; L106-W109 VanDerWaalsContact CB-NE1 3.32Å; L106-W109 HydrophobicContact CD1-CZ2 3.62Å; L106-W109 HydrophobicContact CD2-CZ2 4.22Å; L106-W109 HydrophobicContact CG-CZ2 4.46Å
107	D	73.5	Confident	78.1	Confident	74 Å²	74	79.8 Å²	79.8	40%	0.396	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-56.7	-171.8	-88	-37	0	0	0	113.7	R97 W105	R97-D107 IonicContact CZ-OD2 3.9Å; R97-D107 IonicContact NE-OD2 2.75Å; R97-D107 VanDerWaalsContact NH2-CG 3.28Å; R97-D107 IonicContact NH2-OD2 2.83Å; R97-D107 PolarHBondContact NH2-OD2 3.29Å; W105-D107 PolarHBondContact NE1-OD1 2.82Å; W105-D107 PolarHBondContact O-N 3.43Å
108	P	86.6	Confident	78.4	Confident	17 Å²	17	80.9 Å²	80.9	11%	0.11	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	147.8	162.6	35.4	-40.4	0	0	0	115.6	V2 L4 A96 R97	V2-P108 HydrophobicContact CB-CG 4.25Å; V2-P108 HydrophobicContact CG1-CG 3.95Å; L4-P108 HydrophobicContact CD1-CB 4.25Å; L4-P108 HydrophobicContact CD1-CG 4.14Å; L4-P108 WeakPolarHBondContact CD1-O 3.46Å; L4-P108 HydrophobicContact CG-CB 4.27Å; L4-P108 HydrophobicContact CG-CG 4.3Å; A96-P108 WeakPolarHBondContact CA-O 3.36Å; R97-P108 HydrophobicContact CB-CG 3.73Å; R97-P108 PolarHBondContact N-O 2.96Å
109	W	92.9	Very high	78.9	Confident	80 Å²	80	87 Å²	87	30%	0.303	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.8	167.1	-78.1	55.9	0	0	0	110.3	I37 L45 Y94 C95 A96 L106	I37-W109 HydrophobicContact CB-CH2 4.38Å; I37-W109 HydrophobicContact CD1-CH2 3.29Å; I37-W109 HydrophobicContact CD1-CZ2 3.47Å; I37-W109 VanDerWaalsContact CD1-CZ2 3.47Å; I37-W109 HydrophobicContact CD1-CZ3 3.98Å; I37-W109 HydrophobicContact CG1-CH2 4.4Å; I37-W109 HydrophobicContact CG2-CH2 4.1Å; I37-W109 HydrophobicContact CG2-CZ3 4.39Å; L45-W109 HydrophobicContact CD1-CH2 3.84Å; L45-W109 HydrophobicContact CD1-CZ3 4.32Å; L45-W109 HydrophobicContact CD2-CH2 4.21Å; L45-W109 HydrophobicContact CD2-CZ3 4.08Å; Y94-W109 HydrophobicContact CD1-CE3 4.13Å; Y94-W109 HydrophobicContact CD1-CZ3 4.42Å; Y94-W109 HydrophobicContact CD2-CZ3 4.24Å; Y94-W109 AromaticContact CG-CE3 3.97Å; Y94-W109 HydrophobicContact CG-CE3 3.97Å; Y94-W109 AromaticContact CG-CZ3 3.9Å; Y94-W109 HydrophobicContact CG-CZ3 3.9Å; C95-W109 WeakPolarHBondContact O-CA 3.35Å; A96-W109 HydrophobicContact CB-CD2 3.98Å; A96-W109 HydrophobicContact CB-CG 4.03Å; A96-W109 HydrophobicContact CB-CZ2 4.41Å; L106-W109 VanDerWaalsContact CB-NE1 3.32Å; L106-W109 HydrophobicContact CD1-CZ2 3.62Å; L106-W109 HydrophobicContact CD2-CZ2 4.22Å; L106-W109 HydrophobicContact CG-CZ2 4.46Å
110	G	95.3	Very high	79.7	Confident	4 Å²	4	84.9 Å²	84.9	4%	0.041	44%	0.442	C	S	.	.			trans	-74.5	166.6	163.3	0	0	0	0	0	111.4	L4 E6 C95 G112	L4-G110 WeakPolarHBondContact O-CA 3.36Å; E6-G110 VanDerWaalsContact OE1-CA 3.23Å; E6-G110 WeakPolarHBondContact OE1-CA 3.12Å; E6-G110 WeakPolarHBondContact OE2-CA 3.48Å; C95-G110 PolarHBondContact O-N 2.87Å; G110-G112 PolarHBondContact O-N 3.11Å
111	Q	95.8	Very high	80.9	Confident	176 Å²	176	87.9 Å²	87.9	82%	0.822	45%	0.451	S	S	*	.			trans	-73.7	-14.3	-180	-64.5	-60.2	-66.2	0	0	112.2	E6 Y94	E6-Q111 PolarHBondContact OE2-N 3.36Å; Y94-Q111 WeakPolarHBondContact CE1-O 3.27Å
112	G	97.3	Very high	82.6	Confident	23 Å²	23	84.1 Å²	84.1	24%	0.237	43%	0.429	C	S	.	.			trans	86.8	153.2	-178	0	0	0	0	0	112.8	E6 Y93 Y94 G110	E6-G112 PolarHBondContact OE1-N 3.06Å; E6-G112 PolarHBondContact OE2-N 3.43Å; Y93-G112 CarbonylContact O-C 3.5Å; Y93-G112 WeakPolarHBondContact O-CA 3.29Å; Y94-G112 VanDerWaalsContact CD1-CA 3.44Å; G110-G112 PolarHBondContact O-N 3.11Å
113	T	98.2	Very high	84.6	Confident	26 Å²	26	78.9 Å²	78.9	16%	0.16	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.8	174.6	-174.3	0	0	0	0	110.4	E6 L20 V92 Y93 V115	E6-T113 HydrophobicContact CB-CG2 3.81Å; E6-T113 HydrophobicContact CG-CG2 4.5Å; L20-T113 HydrophobicContact CD1-CG2 4.09Å; L20-T113 HydrophobicContact CD2-CG2 3.97Å; V92-T113 CarbonylContact C-O 3.58Å; V92-T113 WeakPolarHBondContact CA-O 3.16Å; Y93-T113 PolarHBondContact N-O 3.4Å; Y93-T113 PolarHBondContact O-N 2.87Å; T113-V115 HydrophobicContact CG2-CG2 4.43Å; T113-V115 PolarHBondContact O-N 2.72Å
114	L	98.3	Very high	86.6	Confident	102 Å²	102	72.1 Å²	72.1	53%	0.534	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	123.7	175.3	176.2	63.4	0	0	0	109.3	V92	V92-L114 HydrophobicContact CG2-CD1 4.15Å
115	V	98.4	Very high	89	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.3	170.7	-177.5	0	0	0	0	108.6	V12 L18 L20 T90 A91 Y93 T113	V12-V115 HydrophobicContact CG2-CG1 4.18Å; L18-V115 HydrophobicContact CD1-CG1 3.8Å; L18-V115 HydrophobicContact CD1-CG2 4.02Å; L18-V115 HydrophobicContact CD2-CB 4.45Å; L18-V115 HydrophobicContact CD2-CG1 4Å; L18-V115 HydrophobicContact CD2-CG2 4.27Å; L18-V115 HydrophobicContact CG-CG1 4.5Å; L20-V115 HydrophobicContact CD1-CG2 4.32Å; L20-V115 HydrophobicContact CD2-CG2 4.04Å; T90-V115 WeakPolarHBondContact CA-O 3.39Å; A91-V115 PolarHBondContact N-O 3.44Å; A91-V115 VanDerWaalsContact N-O 3.14Å; A91-V115 PolarHBondContact O-N 3.3Å; Y93-V115 HydrophobicContact CD2-CB 3.93Å; Y93-V115 HydrophobicContact CD2-CG2 3.7Å; Y93-V115 HydrophobicContact CE2-CB 3.82Å; Y93-V115 HydrophobicContact CE2-CG2 4.04Å; T113-V115 HydrophobicContact CG2-CG2 4.43Å; T113-V115 PolarHBondContact O-N 2.72Å
116	T	98.4	Very high	91.3	Very high	50 Å²	50	58.9 Å²	58.9	31%	0.307	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.2	173.2	-54.6	0	0	0	0	109.7	G10 L11 V12	G10-T116 PolarHBondContact O-N 3.04Å; L11-T116 WeakPolarHBondContact CA-O 3.22Å; L11-T116 HydrophobicContact CD1-CG2 4.11Å; V12-T116 PolarHBondContact N-O 3.4Å
117	V	98.1	Very high	93.7	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.03	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	102.3	172.6	-174.5	0	0	0	0	109.4	V12 P14 V85 T86 D89 T90	V12-V117 VanDerWaalsContact O-CA 3.28Å; V12-V117 WeakPolarHBondContact O-CA 3.16Å; P14-V117 HydrophobicContact CG-CG1 4.27Å; V85-V117 HydrophobicContact CB-CG1 4.25Å; V85-V117 HydrophobicContact CB-CG2 4.13Å; V85-V117 HydrophobicContact CG2-CG1 3.75Å; V85-V117 HydrophobicContact CG2-CG2 4.07Å; T86-V117 VanDerWaalsContact C-CG1 3.49Å; T86-V117 VanDerWaalsContact O-CB 3.31Å; T86-V117 WeakPolarHBondContact O-CB 3.45Å; T86-V117 WeakPolarHBondContact O-CG1 3.35Å; D89-V117 HydrophobicContact CB-CG2 4.35Å; T90-V117 PolarHBondContact OG1-N 3Å
118	S	96.1	Very high	95.4	Very high	50 Å²	50	56.9 Å²	56.9	35%	0.35	33%	0.329	S	S	.	.			trans	-150.6	159.3	-179.3	65.8	0	0	0	0	111.8	L11 V12	L11-S118 VanDerWaalsContact CD1-OG 3.27Å; L11-S118 WeakPolarHBondContact CD1-OG 3.35Å; V12-S118 PolarHBondContact O-N 2.62Å
119	S	88.9	Confident	96.2	Very high	150 Å²	150	60.5 Å²	60.5	100%	1.049	35%	0.348	S	S	*	.			trans	-77.9	0	175.7	57.9	0	0	0	0	112.6

Retrieved 119 of 119 residues in 123.8 ms (Link to these results)

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