A0A3Q1BT66_AMPOC Loading...

Protein yippee-like

AlphaFold DB , UniProt , Accession A0A3Q1BT66, Species AMPOC (Amphiprion ocellaris, Clown anemonefish), Gene YPEL1, Length 119 aa.

						>A0A3Q1BT66_AMPOC|A0A3Q1BT66|YPEL1
MVKMTKSKTFQAYLPSCHRTYSCIHCRAHLANHDELISKSFQGSQGRAYLFNSVVNVGCGPAEERVLLTGLHAVADIYCENCKTTLGWKYEHAFESSQKYKEGKFIIELAHMIKDNGWE
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.1	Very low	52.9	Low	240 Å²	240	148.3 Å²	148.3	100%	1.182	75%	0.749	S	S	*	*				0	106.5	0	-66	166.9	82.9	0	0	107.8	K3	M1-K3 PolarHBondContact O-N 3.27Å
2	V	40.1	Very low	55.4	Low	138 Å²	138	139.8 Å²	139.8	84%	0.836	72%	0.719	S	S	*	*			trans	-74.8	111	-179.9	179.8	0	0	0	0	107.7	M4	V2-M4 PolarHBondContact O-N 2.79Å
3	K	40.9	Very low	57.5	Low	195 Å²	195	141.9 Å²	141.9	85%	0.848	71%	0.714	S	S	*	*			trans	-66.5	97.4	170.3	-76.8	-177	177.1	178.4	0	107.4	M1 T5	M1-K3 PolarHBondContact O-N 3.27Å; K3-T5 VanDerWaalsContact C-N 3.29Å; K3-T5 PolarHBondContact O-N 2.78Å
4	M	44.5	Very low	59.4	Low	174 Å²	174	134.1 Å²	134.1	86%	0.857	68%	0.675	S	S	*	*			trans	-66.4	91.4	168.7	-69.2	177.8	67.2	0	0	108	V2 K6	V2-M4 PolarHBondContact O-N 2.79Å; M4-K6 PolarHBondContact O-N 2.82Å; M4-K6 VanDerWaalsContact O-N 3.14Å
5	T	48.9	Very low	60.8	Low	94 Å²	94	130.2 Å²	130.2	58%	0.577	66%	0.663	S	S	*	*			trans	-66.4	111.8	167.9	53.7	0	0	0	0	106.8	K3 S7	K3-T5 VanDerWaalsContact C-N 3.29Å; K3-T5 PolarHBondContact O-N 2.78Å; T5-S7 PolarHBondContact O-N 3.47Å
6	K	49.3	Very low	61.3	Low	203 Å²	203	128.9 Å²	128.9	88%	0.883	67%	0.669	S	S	*	*			trans	-49.7	109	172.3	-85.5	-178.7	172.9	179.1	0	108.3	M4 K8	M4-K6 PolarHBondContact O-N 2.82Å; M4-K6 VanDerWaalsContact O-N 3.14Å; K6-K8 PolarHBondContact O-N 2.95Å
7	S	51.3	Low	61.6	Low	95 Å²	95	127.5 Å²	127.5	66%	0.664	67%	0.672	S	S	*	*			trans	-60.3	122.9	164.5	-61	0	0	0	0	106.4	T5 T9	T5-S7 PolarHBondContact O-N 3.47Å; S7-T9 PolarHBondContact O-N 2.94Å
8	K	57.9	Low	62.2	Low	132 Å²	132	124.4 Å²	124.4	57%	0.574	65%	0.653	S	S	*	*			trans	-57.1	126.4	170	-81.4	-171.6	-177.6	162.3	0	107.3	K6 F10 E80	K6-K8 PolarHBondContact O-N 2.95Å; K8-F10 PolarHBondContact O-N 3.06Å; K8-E80 VanDerWaalsContact CD-OE2 3.3Å; K8-E80 WeakPolarHBondContact CD-OE2 3.43Å; K8-E80 WeakPolarHBondContact CE-OE1 3.42Å; K8-E80 WeakPolarHBondContact CE-OE2 3.48Å; K8-E80 IonicContact NZ-OE1 2.82Å; K8-E80 PolarHBondContact NZ-OE1 3.27Å; K8-E80 IonicContact NZ-OE2 2.74Å; K8-E80 PolarHBondContact NZ-OE2 3.2Å
9	T	63.9	Low	63.6	Low	126 Å²	126	122.4 Å²	122.4	77%	0.773	64%	0.636	S	S	*	*	S	Bend	trans	-68.3	-13.2	179.5	-24.1	0	0	0	0	112.1	S7	S7-T9 PolarHBondContact O-N 2.94Å
10	F	65.2	Low	65.1	Low	169 Å²	169	116.7 Å²	116.7	74%	0.741	61%	0.606	S	S	*	*			trans	-136.3	135.5	-174.2	-56.5	-76.4	0	0	0	111.3	K8	K8-F10 PolarHBondContact O-N 3.06Å
11	Q	78.3	Confident	66.6	Low	65 Å²	65	111.2 Å²	111.2	30%	0.304	58%	0.578	S	S	.	*			trans	-96.7	143.5	168.7	-67.3	-177.2	-1.4	0	0	109.6	Y13 N56 N81	Q11-Y13 HydrophobicContact CB-CE2 3.89Å; Q11-Y13 PolarHBondContact OE1-OH 2.98Å; Q11-Y13 VanDerWaalsContact OE1-OH 3.12Å; Q11-N56 WeakPolarHBondContact CA-OD1 3.34Å; Q11-N81 PolarHBondContact NE2-OD1 2.93Å
12	A	83	Confident	69.2	Low	47 Å²	47	100.1 Å²	100.1	39%	0.388	52%	0.524	S	S	.	.			trans	-82.4	125.5	169.2	0	0	0	0	0	109.5	V55 N56	A12-V55 HydrophobicContact CB-CB 4.07Å; A12-V55 HydrophobicContact CB-CG1 4.38Å; A12-N56 PolarHBondContact N-OD1 2.95Å; A12-N56 PolarHBondContact O-ND2 3.25Å
13	Y	83.4	Confident	72	Confident	167 Å²	167	93.6 Å²	93.6	66%	0.655	48%	0.484	S	S	*	.			trans	-104.6	131.1	173.1	-67.9	-87.4	0	0	0	109.4	Q11	Q11-Y13 HydrophobicContact CB-CE2 3.89Å; Q11-Y13 PolarHBondContact OE1-OH 2.98Å; Q11-Y13 VanDerWaalsContact OE1-OH 3.12Å
14	L	83.8	Confident	74.6	Confident	33 Å²	33	87.6 Å²	87.6	17%	0.173	46%	0.461	C	S	.	.			trans	-87	145.6	175.8	-58.5	172.4	0	0	0	109.4	T20 H29 A31 N32 V55	L14-T20 HydrophobicContact CB-CG2 3.91Å; L14-T20 HydrophobicContact CD1-CG2 4.21Å; L14-H29 WeakPolarHBondContact CB-ND1 3.44Å; L14-H29 HydrophobicContact CD1-CB 4.15Å; L14-H29 HydrophobicContact CG-CB 4.18Å; L14-H29 PolarHBondContact N-ND1 3.02Å; L14-A31 WeakPolarHBondContact CD1-O 3.18Å; L14-N32 HydrophobicContact CD1-CB 4.11Å; L14-V55 HydrophobicContact CD1-CG2 4.14Å; L14-V55 HydrophobicContact CD2-CG1 4.42Å; L14-V55 HydrophobicContact CD2-CG2 4.19Å; L14-V55 HydrophobicContact CG-CG2 4.13Å
15	P	80.1	Confident	77.1	Confident	75 Å²	75	84.6 Å²	84.6	49%	0.487	45%	0.445	S	S	.	.			trans	-55.7	140.7	179.3	-22.7	32.1	0	0	0	112.5	C17 H18	P15-C17 VanDerWaalsContact C-N 3.28Å; P15-C17 PolarHBondContact O-N 2.84Å; P15-H18 PolarHBondContact O-N 3.43Å
16	S	68.5	Low	79.3	Confident	109 Å²	109	81.8 Å²	81.8	76%	0.762	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.5	-176.9	50.9	0	0	0	0	114.4	H18	S16-H18 PolarHBondContact O-N 2.7Å
17	C	66.8	Low	81.5	Confident	106 Å²	106	80.1 Å²	80.1	72%	0.716	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-7.1	-179.8	56	0	0	0	0	114	P15	P15-C17 VanDerWaalsContact C-N 3.28Å; P15-C17 PolarHBondContact O-N 2.84Å
18	H	72.1	Confident	83.6	Confident	72 Å²	72	75.7 Å²	75.7	33%	0.333	39%	0.385	S	S	.	.	S	Bend	trans	-109.3	147.6	176.1	-64.8	-102.9	0	0	0	110.3	P15 S16 T20 D34	P15-H18 PolarHBondContact O-N 3.43Å; S16-H18 PolarHBondContact O-N 2.7Å; H18-T20 WeakPolarHBondContact O-CG2 3.34Å; H18-T20 PolarHBondContact O-N 3.42Å; H18-D34 IonicContact CE1-OD2 3.36Å; H18-D34 PolarHBondContact CE1-OD2 2.88Å; H18-D34 IonicContact CG-OD2 3.92Å; H18-D34 IonicContact ND1-OD2 2.87Å; H18-D34 PolarHBondContact ND1-OD2 3.07Å
19	R	89.8	Confident	85.4	Confident	86 Å²	86	71.2 Å²	71.2	33%	0.325	37%	0.366	S	S	.	.			trans	-59.8	124.1	167.3	172	-175.8	-77	174.5	12.3	108.6	N32 H33 K114 D115	R19-N32 PolarHBondContact O-OD1 2.84Å; R19-H33 HydrophobicContact CB-CB 3.81Å; R19-H33 VanDerWaalsContact CD-CG 3.45Å; R19-H33 VanDerWaalsContact CD-ND1 3.29Å; R19-H33 WeakPolarHBondContact CD-ND1 3.48Å; R19-H33 HydrophobicContact CG-CB 3.93Å; R19-H33 PolarHBondContact NH1-NE2 2.97Å; R19-H33 VanDerWaalsContact O-CB 3.22Å; R19-H33 WeakPolarHBondContact O-CB 3.48Å; R19-H33 PolarHBondContact O-N 3.42Å; R19-K114 HydrophobicContact CG-CG 4.21Å; R19-K114 VanDerWaalsContact CZ-NZ 3.33Å; R19-D115 CarbonylContact C-O 3.41Å; R19-D115 VanDerWaalsContact CA-O 3.31Å; R19-D115 WeakPolarHBondContact CA-O 3.36Å; R19-D115 VanDerWaalsContact CG-O 3.31Å; R19-D115 WeakPolarHBondContact CG-O 3.29Å
20	T	93.7	Very high	86.9	Confident	7 Å²	7	65.2 Å²	65.2	4%	0.043	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	158.4	-176.6	55.6	0	0	0	0	111.4	L14 H18 D115	L14-T20 HydrophobicContact CB-CG2 3.91Å; L14-T20 HydrophobicContact CD1-CG2 4.21Å; H18-T20 WeakPolarHBondContact O-CG2 3.34Å; H18-T20 PolarHBondContact O-N 3.42Å; T20-D115 PolarHBondContact N-O 2.91Å; T20-D115 PolarHBondContact O-N 3.08Å
21	Y	96.1	Very high	88.4	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130	171.5	-65.1	-76.4	0	0	0	109.2	L30 A31 H33 Y49 F51 M112 I113 K114	Y21-L30 WeakPolarHBondContact O-CA 3.32Å; Y21-L30 PolarHBondContact O-N 2.77Å; Y21-A31 HydrophobicContact CD2-CB 4.35Å; Y21-A31 PolarHBondContact N-O 3.34Å; Y21-A31 PolarHBondContact O-N 3.43Å; Y21-A31 VanDerWaalsContact O-N 3.15Å; Y21-H33 HydrophobicContact CE2-CB 4.34Å; Y21-H33 AromaticContact CE2-ND1 3.62Å; Y21-H33 AromaticContact CZ-ND1 3.62Å; Y21-H33 PolarHBondContact OH-CE1 2.78Å; Y21-H33 PolarHBondContact OH-ND1 2.9Å; Y21-Y49 HydrophobicContact CE1-CD2 4.27Å; Y21-Y49 HydrophobicContact CE1-CE2 4.16Å; Y21-F51 AromaticContact CD2-CE1 3.53Å; Y21-F51 HydrophobicContact CD2-CE1 3.53Å; Y21-F51 AromaticContact CD2-CZ 3.63Å; Y21-F51 HydrophobicContact CD2-CZ 3.63Å; Y21-F51 AromaticContact CE2-CE1 3.54Å; Y21-F51 HydrophobicContact CE2-CE1 3.54Å; Y21-F51 AromaticContact CE2-CZ 3.71Å; Y21-F51 HydrophobicContact CE2-CZ 3.71Å; Y21-F51 HydrophobicContact CG-CE1 4.37Å; Y21-F51 HydrophobicContact CG-CZ 4.04Å; Y21-M112 WeakPolarHBondContact CB-SD 3.31Å; Y21-M112 HydrophobicContact CD1-CE 3.5Å; Y21-M112 HydrophobicContact CD1-CG 4.01Å; Y21-M112 HydrophobicContact CD1-SD 3.57Å; Y21-M112 VanDerWaalsContact CD1-SD 3.57Å; Y21-M112 HydrophobicContact CE1-CE 3.88Å; Y21-M112 HydrophobicContact CE1-SD 4.46Å; Y21-M112 HydrophobicContact CG-CE 4.15Å; Y21-M112 HydrophobicContact CG-CG 4.3Å; Y21-M112 HydrophobicContact CG-SD 3.66Å; Y21-I113 CarbonylContact C-O 3.5Å; Y21-I113 VanDerWaalsContact CA-O 3.32Å; Y21-I113 WeakPolarHBondContact CA-O 3.02Å; Y21-K114 HydrophobicContact CD1-CB 4.03Å; Y21-K114 HydrophobicContact CD1-CG 4.14Å; Y21-K114 HydrophobicContact CE1-CB 3.94Å; Y21-K114 HydrophobicContact CE1-CD 4.17Å; Y21-K114 HydrophobicContact CE1-CG 3.72Å
22	S	96.5	Very high	89.2	Confident	8 Å²	8	55.2 Å²	55.2	6%	0.056	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.1	-174.3	-62.1	0	0	0	0	111.2	I24 A28 H29 M112 I113	S22-I24 PolarHBondContact O-N 2.85Å; S22-A28 CarbonylContact C-O 3.59Å; S22-A28 VanDerWaalsContact CA-O 3.29Å; S22-A28 WeakPolarHBondContact CA-O 3.22Å; S22-H29 PolarHBondContact OG-CD2 3.25Å; S22-M112 CarbonylContact O-C 3.5Å; S22-M112 WeakPolarHBondContact O-CA 3.31Å; S22-I113 PolarHBondContact N-O 2.87Å; S22-I113 VanDerWaalsContact O-CG1 3.31Å; S22-I113 WeakPolarHBondContact O-CG1 3.37Å; S22-I113 PolarHBondContact O-N 2.91Å
23	C	97.5	Very high	89.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	129.2	176.2	-179.6	0	0	0	0	110	H25 R27 A28 L30 C82	C23-H25 PolarHBondContact O-N 3.04Å; C23-R27 WeakPolarHBondContact O-CA 3.45Å; C23-R27 PolarHBondContact O-N 2.7Å; C23-A28 PolarHBondContact N-O 3.14Å; C23-L30 HydrophobicContact CB-CD1 3.98Å; C23-L30 HydrophobicContact CB-CD2 4.29Å; C23-L30 HydrophobicContact CB-CG 4.2Å; C23-C82 VanDerWaalsContact SG-SG 3.64Å
24	I	97.2	Very high	90.3	Very high	70 Å²	70	52.5 Å²	52.5	36%	0.359	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.6	-179.9	-167.7	164.7	0	0	0	112.7	S22 H111 I113	S22-I24 PolarHBondContact O-N 2.85Å; I24-H111 PolarHBondContact N-O 2.87Å; I24-I113 HydrophobicContact CB-CG2 3.93Å; I24-I113 HydrophobicContact CD1-CG2 3.99Å; I24-I113 HydrophobicContact CG1-CG2 3.67Å
25	H	96.3	Very high	90.9	Very high	111 Å²	111	53.8 Å²	53.8	51%	0.514	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-31.9	-172.2	-59.2	-73.3	0	0	0	114	C23 H111	C23-H25 PolarHBondContact O-N 3.04Å; H25-H111 AromaticContact NE2-ND1 3.55Å
26	C	95.4	Very high	91.7	Very high	34 Å²	34	51.8 Å²	51.8	23%	0.23	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.2	2.7	-174.5	71.1	0	0	0	0	114.8	A28 N81 C82	C26-A28 PolarHBondContact O-N 2.85Å; C26-N81 WeakPolarHBondContact CB-ND2 3.43Å; C26-N81 PolarHBondContact SG-ND2 2.96Å; C26-N81 VanDerWaalsContact SG-ND2 3.41Å; C26-C82 HydrophobicContact CB-CB 3.84Å
27	R	94.8	Very high	93.1	Very high	168 Å²	168	50.5 Å²	50.5	63%	0.634	25%	0.249	S	C	*	.			trans	63.7	5.6	177.3	-50.4	-58.4	-178.5	122.9	-2.3	115.9	C23 H29 I113	C23-R27 WeakPolarHBondContact O-CA 3.45Å; C23-R27 PolarHBondContact O-N 2.7Å; R27-H29 PolarHBondContact O-N 3.22Å; R27-I113 VanDerWaalsContact CD-CD1 3.47Å
28	A	95.1	Very high	94.6	Very high	2 Å²	2	47 Å²	47	2%	0.017	23%	0.226	C	C	.	.			trans	-56.7	133	171.1	0	0	0	0	0	110.2	S22 C23 C26 N56 N81	S22-A28 CarbonylContact C-O 3.59Å; S22-A28 VanDerWaalsContact CA-O 3.29Å; S22-A28 WeakPolarHBondContact CA-O 3.22Å; C23-A28 PolarHBondContact N-O 3.14Å; C26-A28 PolarHBondContact O-N 2.85Å; A28-N56 HydrophobicContact CB-CB 4.47Å; A28-N81 HydrophobicContact CB-CB 4.21Å
29	H	95.5	Very high	95.7	Very high	38 Å²	38	48.4 Å²	48.4	18%	0.176	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.5	177.1	-69	-161.1	0	0	0	109.1	L14 S22 R27 V55 N56	L14-H29 WeakPolarHBondContact CB-ND1 3.44Å; L14-H29 HydrophobicContact CD1-CB 4.15Å; L14-H29 HydrophobicContact CG-CB 4.18Å; L14-H29 PolarHBondContact N-ND1 3.02Å; S22-H29 PolarHBondContact OG-CD2 3.25Å; R27-H29 PolarHBondContact O-N 3.22Å; H29-V55 HydrophobicContact CB-CG2 4.35Å; H29-N56 WeakPolarHBondContact O-CB 3.17Å; H29-N56 PolarHBondContact O-ND2 2.78Å
30	L	97.1	Very high	96.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-41	-178.4	-62.9	178.8	0	0	0	111.8	Y21 C23 V54 V55 V57 L86 I107	Y21-L30 WeakPolarHBondContact O-CA 3.32Å; Y21-L30 PolarHBondContact O-N 2.77Å; C23-L30 HydrophobicContact CB-CD1 3.98Å; C23-L30 HydrophobicContact CB-CD2 4.29Å; C23-L30 HydrophobicContact CB-CG 4.2Å; L30-V54 CarbonylContact O-C 3.59Å; L30-V54 WeakPolarHBondContact O-CA 3.5Å; L30-V54 VanDerWaalsContact O-CB 3.31Å; L30-V54 WeakPolarHBondContact O-CB 3.45Å; L30-V55 WeakPolarHBondContact CA-O 3.14Å; L30-V55 PolarHBondContact O-N 2.91Å; L30-V57 HydrophobicContact CD2-CG2 3.91Å; L30-L86 HydrophobicContact CD1-CD1 3.83Å; L30-L86 HydrophobicContact CD1-CD2 4.14Å; L30-L86 HydrophobicContact CD2-CD1 3.57Å; L30-L86 HydrophobicContact CG-CD1 4.34Å; L30-I107 HydrophobicContact CB-CD1 4.09Å; L30-I107 HydrophobicContact CD1-CD1 4.48Å
31	A	96.7	Very high	96.2	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	153.8	-179.2	0	0	0	0	0	112.1	L14 Y21 F51 V54	L14-A31 WeakPolarHBondContact CD1-O 3.18Å; Y21-A31 HydrophobicContact CD2-CB 4.35Å; Y21-A31 PolarHBondContact N-O 3.34Å; Y21-A31 PolarHBondContact O-N 3.43Å; Y21-A31 VanDerWaalsContact O-N 3.15Å; A31-F51 HydrophobicContact CB-CD1 3.63Å; A31-F51 HydrophobicContact CB-CE1 3.68Å; A31-F51 HydrophobicContact CB-CG 4.14Å; A31-F51 HydrophobicContact CB-CZ 4.22Å; A31-V54 HydrophobicContact CB-CG1 4.36Å
32	N	94.2	Very high	96.2	Very high	23 Å²	23	57.9 Å²	57.9	12%	0.123	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	151.1	166.1	-168.5	-29.8	0	0	0	109.1	L14 R19 D34 E35	L14-N32 HydrophobicContact CD1-CB 4.11Å; R19-N32 PolarHBondContact O-OD1 2.84Å; N32-D34 PolarHBondContact O-N 2.9Å; N32-D34 PolarHBondContact OD1-N 2.86Å; N32-D34 VanDerWaalsContact OD1-N 3.08Å; N32-E35 HydrophobicContact CB-CG 4.31Å; N32-E35 PolarHBondContact O-N 3.27Å
33	H	94.5	Very high	96	Very high	47 Å²	47	58.4 Å²	58.4	22%	0.218	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.2	-33.3	168.4	-160.5	68.3	0	0	0	113.9	R19 Y21 E35 L36	R19-H33 HydrophobicContact CB-CB 3.81Å; R19-H33 VanDerWaalsContact CD-CG 3.45Å; R19-H33 VanDerWaalsContact CD-ND1 3.29Å; R19-H33 WeakPolarHBondContact CD-ND1 3.48Å; R19-H33 HydrophobicContact CG-CB 3.93Å; R19-H33 PolarHBondContact NH1-NE2 2.97Å; R19-H33 VanDerWaalsContact O-CB 3.22Å; R19-H33 WeakPolarHBondContact O-CB 3.48Å; R19-H33 PolarHBondContact O-N 3.42Å; Y21-H33 HydrophobicContact CE2-CB 4.34Å; Y21-H33 AromaticContact CE2-ND1 3.62Å; Y21-H33 AromaticContact CZ-ND1 3.62Å; Y21-H33 PolarHBondContact OH-CE1 2.78Å; Y21-H33 PolarHBondContact OH-ND1 2.9Å; H33-E35 PolarHBondContact O-N 3.49Å; H33-L36 WeakPolarHBondContact O-CB 3.25Å; H33-L36 PolarHBondContact O-N 3.17Å
34	D	94.1	Very high	95.7	Very high	109 Å²	109	63.9 Å²	63.9	58%	0.583	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-66.3	-21	180	-59	-27.4	0	0	0	112.4	H18 N32 L36	H18-D34 IonicContact CE1-OD2 3.36Å; H18-D34 PolarHBondContact CE1-OD2 2.88Å; H18-D34 IonicContact CG-OD2 3.92Å; H18-D34 IonicContact ND1-OD2 2.87Å; H18-D34 PolarHBondContact ND1-OD2 3.07Å; N32-D34 PolarHBondContact O-N 2.9Å; N32-D34 PolarHBondContact OD1-N 2.86Å; N32-D34 VanDerWaalsContact OD1-N 3.08Å; D34-L36 VanDerWaalsContact C-N 3.32Å
35	E	96.5	Very high	95.5	Very high	61 Å²	61	65.9 Å²	65.9	29%	0.285	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-84.6	-4.5	174.8	-62.4	-64.1	150.7	0	0	112.8	N32 H33 I37 F51 N52 S53	N32-E35 HydrophobicContact CB-CG 4.31Å; N32-E35 PolarHBondContact O-N 3.27Å; H33-E35 PolarHBondContact O-N 3.49Å; E35-I37 PolarHBondContact O-N 2.82Å; E35-F51 HydrophobicContact CB-CD1 4.34Å; E35-F51 CarbonylContact O-C 3.59Å; E35-F51 VanDerWaalsContact O-CA 3.26Å; E35-F51 WeakPolarHBondContact O-CA 3.34Å; E35-N52 PolarHBondContact O-N 2.93Å; E35-N52 VanDerWaalsContact OE2-CB 3.26Å; E35-N52 WeakPolarHBondContact OE2-CB 3.41Å; E35-N52 PolarHBondContact OE2-ND2 3.23Å; E35-S53 VanDerWaalsContact OE2-CB 3.23Å; E35-S53 WeakPolarHBondContact OE2-CB 3.5Å; E35-S53 PolarHBondContact OE2-N 3.48Å; E35-S53 VanDerWaalsContact OE2-N 3.09Å
36	L	97.1	Very high	95.4	Very high	33 Å²	33	62.3 Å²	62.3	17%	0.173	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.6	-178.6	-179.5	70.7	0	0	0	111.1	H33 D34 K39 Y49 F51	H33-L36 WeakPolarHBondContact O-CB 3.25Å; H33-L36 PolarHBondContact O-N 3.17Å; D34-L36 VanDerWaalsContact C-N 3.32Å; L36-K39 HydrophobicContact CD1-CG 4.45Å; L36-K39 HydrophobicContact CD2-CD 4.25Å; L36-K39 HydrophobicContact CD2-CG 3.86Å; L36-Y49 HydrophobicContact CD1-CD2 3.82Å; L36-Y49 HydrophobicContact CD1-CG 3.89Å; L36-F51 HydrophobicContact CB-CD1 4.17Å; L36-F51 HydrophobicContact CB-CE1 3.92Å; L36-F51 HydrophobicContact CD1-CD1 4.16Å; L36-F51 HydrophobicContact CD1-CE1 3.7Å; L36-F51 HydrophobicContact CD1-CE2 4.31Å; L36-F51 HydrophobicContact CD1-CZ 3.8Å; L36-F51 HydrophobicContact CG-CE1 4.41Å
37	I	97.9	Very high	95.5	Very high	82 Å²	82	68.5 Å²	68.5	42%	0.421	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-48.5	176.6	-62.6	165	0	0	0	111.1	E35 L50 N52 K104	E35-I37 PolarHBondContact O-N 2.82Å; I37-L50 HydrophobicContact CB-CB 4.48Å; I37-L50 HydrophobicContact CB-CD2 4.09Å; I37-L50 HydrophobicContact CB-CG 4.29Å; I37-L50 HydrophobicContact CD1-CD2 4.21Å; I37-L50 HydrophobicContact CD1-CG 4.3Å; I37-L50 HydrophobicContact CG2-CD2 3.93Å; I37-L50 PolarHBondContact N-O 2.99Å; I37-N52 HydrophobicContact CD1-CB 3.8Å; I37-N52 HydrophobicContact CG1-CB 4.07Å; I37-K104 HydrophobicContact CD1-CD 3.65Å; I37-K104 HydrophobicContact CD1-CG 4.07Å
38	S	97.6	Very high	95.6	Very high	33 Å²	33	60.5 Å²	60.5	23%	0.231	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	146	-174	179.4	0	0	0	0	112.9	S40 Y49 L50	S38-S40 PolarHBondContact OG-N 2.97Å; S38-Y49 WeakPolarHBondContact O-CA 3.36Å; S38-L50 PolarHBondContact N-O 2.8Å; S38-L50 PolarHBondContact O-N 2.78Å
39	K	97.2	Very high	95.8	Very high	100 Å²	100	61.9 Å²	61.9	44%	0.435	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-0.8	176.9	-62.4	-178.3	-173.6	166	0	113.7	L36 F41 Y49	L36-K39 HydrophobicContact CD1-CG 4.45Å; L36-K39 HydrophobicContact CD2-CD 4.25Å; L36-K39 HydrophobicContact CD2-CG 3.86Å; K39-F41 VanDerWaalsContact C-N 3.29Å; K39-F41 PolarHBondContact O-N 3.14Å; K39-Y49 VanDerWaalsContact CA-CD1 3.45Å; K39-Y49 HydrophobicContact CB-CD1 3.74Å; K39-Y49 HydrophobicContact CB-CE1 3.45Å; K39-Y49 VanDerWaalsContact CB-CE1 3.45Å; K39-Y49 HydrophobicContact CD-CE1 4.13Å; K39-Y49 HydrophobicContact CD-CE2 4.34Å; K39-Y49 HydrophobicContact CG-CD1 3.85Å; K39-Y49 HydrophobicContact CG-CD2 4.36Å; K39-Y49 HydrophobicContact CG-CE1 3.58Å; K39-Y49 HydrophobicContact CG-CE2 4.13Å; K39-Y49 HydrophobicContact CG-CG 4.26Å
40	S	96.2	Very high	95.9	Very high	111 Å²	111	60.1 Å²	60.1	78%	0.776	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	28.4	-169.9	-53.4	0	0	0	0	112.9	S38	S38-S40 PolarHBondContact OG-N 2.97Å
41	F	97	Very high	96	Very high	28 Å²	28	60.1 Å²	60.1	12%	0.123	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	158.4	179.3	-76.7	-103	0	0	0	111.2	K39 A48 L50 K101 I106	K39-F41 VanDerWaalsContact C-N 3.29Å; K39-F41 PolarHBondContact O-N 3.14Å; F41-A48 CarbonylContact C-O 3.46Å; F41-A48 WeakPolarHBondContact CA-O 3.13Å; F41-A48 HydrophobicContact CB-CB 4.45Å; F41-A48 VanDerWaalsContact CB-O 3.28Å; F41-A48 WeakPolarHBondContact CB-O 3.26Å; F41-A48 PolarHBondContact N-O 3.47Å; F41-A48 PolarHBondContact O-N 2.79Å; F41-L50 HydrophobicContact CD2-CB 3.78Å; F41-L50 HydrophobicContact CE2-CB 3.7Å; F41-L50 HydrophobicContact CE2-CD2 3.78Å; F41-L50 HydrophobicContact CE2-CG 4.26Å; F41-L50 HydrophobicContact CG-CB 4.38Å; F41-L50 HydrophobicContact CZ-CB 4.21Å; F41-L50 HydrophobicContact CZ-CD1 4.4Å; F41-L50 HydrophobicContact CZ-CD2 3.73Å; F41-L50 HydrophobicContact CZ-CG 4.34Å; F41-K101 HydrophobicContact CE1-CD 4.32Å; F41-I106 HydrophobicContact CB-CD1 3.83Å; F41-I106 HydrophobicContact CD1-CD1 3.46Å; F41-I106 VanDerWaalsContact CD1-CD1 3.46Å; F41-I106 HydrophobicContact CD2-CD1 4.45Å; F41-I106 HydrophobicContact CE1-CD1 4.09Å; F41-I106 HydrophobicContact CG-CD1 3.67Å
42	Q	95.3	Very high	96.1	Very high	155 Å²	155	63.4 Å²	63.4	72%	0.724	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.9	176.3	-64.2	-174.6	1.4	0	0	109.3	G46	Q42-G46 CarbonylContact C-O 3.55Å; Q42-G46 VanDerWaalsContact CA-O 3.26Å; Q42-G46 WeakPolarHBondContact CA-O 3.2Å
43	G	92.3	Very high	96.2	Very high	20 Å²	20	64.9 Å²	64.9	21%	0.206	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	-169.4	168.5	0	0	0	0	0	111	Q45 G46 E108	G43-Q45 PolarHBondContact O-N 3.26Å; G43-G46 PolarHBondContact N-O 3.36Å; G43-G46 PolarHBondContact O-N 2.87Å; G43-E108 WeakPolarHBondContact CA-OE1 3.41Å
44	S	91.2	Very high	96.4	Very high	114 Å²	114	63.6 Å²	63.6	80%	0.797	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-25.7	-176.6	66.6	0	0	0	0	113.4	E108	S44-E108 PolarHBondContact N-OE1 3.47Å
45	Q	92.9	Very high	96.5	Very high	113 Å²	113	60.2 Å²	60.2	53%	0.528	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	17.2	179.6	-54.7	-161.1	-2.5	0	0	112.7	G43 E108 A110 H111	G43-Q45 PolarHBondContact O-N 3.26Å; Q45-E108 PolarHBondContact N-OE1 3.42Å; Q45-A110 HydrophobicContact CB-CB 4.07Å; Q45-H111 PolarHBondContact OE1-CE1 3.36Å; Q45-H111 PolarHBondContact OE1-NE2 2.88Å; Q45-H111 VanDerWaalsContact OE1-NE2 3.11Å
46	G	94.8	Very high	96.5	Very high	35 Å²	35	57.9 Å²	57.9	36%	0.361	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	109.6	-133.6	173.9	0	0	0	0	0	113	Q42 G43	Q42-G46 CarbonylContact C-O 3.55Å; Q42-G46 VanDerWaalsContact CA-O 3.26Å; Q42-G46 WeakPolarHBondContact CA-O 3.2Å; G43-G46 PolarHBondContact N-O 3.36Å; G43-G46 PolarHBondContact O-N 2.87Å
47	R	97.4	Very high	96.5	Very high	165 Å²	165	57.3 Å²	57.3	62%	0.623	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.6	-174.4	-66.7	-171.2	-55	-177.9	2.1	111.5	L109	R47-L109 HydrophobicContact CB-CD1 4.5Å; R47-L109 HydrophobicContact CB-CD2 4.09Å; R47-L109 PolarHBondContact O-N 2.76Å
48	A	98	Very high	96.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155	177.3	0	0	0	0	0	110.6	F41 I106 I107 E108	F41-A48 CarbonylContact C-O 3.46Å; F41-A48 WeakPolarHBondContact CA-O 3.13Å; F41-A48 HydrophobicContact CB-CB 4.45Å; F41-A48 VanDerWaalsContact CB-O 3.28Å; F41-A48 WeakPolarHBondContact CB-O 3.26Å; F41-A48 PolarHBondContact N-O 3.47Å; F41-A48 PolarHBondContact O-N 2.79Å; A48-I106 HydrophobicContact CB-CG2 3.55Å; A48-I107 WeakPolarHBondContact CA-O 3.5Å; A48-E108 HydrophobicContact CB-CG 4.07Å
49	Y	98.3	Very high	96.5	Very high	31 Å²	31	54.8 Å²	54.8	12%	0.122	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.1	-179.4	-72.4	-3.7	0	0	0	110.7	Y21 L36 S38 K39 F51 I106 I107 L109 M112	Y21-Y49 HydrophobicContact CE1-CD2 4.27Å; Y21-Y49 HydrophobicContact CE1-CE2 4.16Å; L36-Y49 HydrophobicContact CD1-CD2 3.82Å; L36-Y49 HydrophobicContact CD1-CG 3.89Å; S38-Y49 WeakPolarHBondContact O-CA 3.36Å; K39-Y49 VanDerWaalsContact CA-CD1 3.45Å; K39-Y49 HydrophobicContact CB-CD1 3.74Å; K39-Y49 HydrophobicContact CB-CE1 3.45Å; K39-Y49 VanDerWaalsContact CB-CE1 3.45Å; K39-Y49 HydrophobicContact CD-CE1 4.13Å; K39-Y49 HydrophobicContact CD-CE2 4.34Å; K39-Y49 HydrophobicContact CG-CD1 3.85Å; K39-Y49 HydrophobicContact CG-CD2 4.36Å; K39-Y49 HydrophobicContact CG-CE1 3.58Å; K39-Y49 HydrophobicContact CG-CE2 4.13Å; K39-Y49 HydrophobicContact CG-CG 4.26Å; Y49-F51 HydrophobicContact CD2-CZ 4.23Å; Y49-I106 WeakPolarHBondContact O-CA 3.15Å; Y49-I107 PolarHBondContact N-O 2.93Å; Y49-I107 PolarHBondContact O-N 3.25Å; Y49-I107 VanDerWaalsContact O-N 3.08Å; Y49-L109 HydrophobicContact CD1-CD1 3.57Å; Y49-L109 HydrophobicContact CD2-CD1 3.99Å; Y49-L109 HydrophobicContact CE1-CD1 3.63Å; Y49-L109 HydrophobicContact CE1-CD2 4.06Å; Y49-L109 HydrophobicContact CE1-CG 4.43Å; Y49-L109 HydrophobicContact CE2-CD1 4.02Å; Y49-L109 HydrophobicContact CG-CD1 3.76Å; Y49-M112 HydrophobicContact CD2-CE 3.76Å; Y49-M112 HydrophobicContact CE2-CE 4.26Å; Y49-M112 HydrophobicContact CG-CE 4.44Å
50	L	98.5	Very high	96.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.5	175.1	-173.4	74.9	0	0	0	109.9	I37 S38 F41 Y90 Y100 K104 F105 I106	I37-L50 HydrophobicContact CB-CB 4.48Å; I37-L50 HydrophobicContact CB-CD2 4.09Å; I37-L50 HydrophobicContact CB-CG 4.29Å; I37-L50 HydrophobicContact CD1-CD2 4.21Å; I37-L50 HydrophobicContact CD1-CG 4.3Å; I37-L50 HydrophobicContact CG2-CD2 3.93Å; I37-L50 PolarHBondContact N-O 2.99Å; S38-L50 PolarHBondContact N-O 2.8Å; S38-L50 PolarHBondContact O-N 2.78Å; F41-L50 HydrophobicContact CD2-CB 3.78Å; F41-L50 HydrophobicContact CE2-CB 3.7Å; F41-L50 HydrophobicContact CE2-CD2 3.78Å; F41-L50 HydrophobicContact CE2-CG 4.26Å; F41-L50 HydrophobicContact CG-CB 4.38Å; F41-L50 HydrophobicContact CZ-CB 4.21Å; F41-L50 HydrophobicContact CZ-CD1 4.4Å; F41-L50 HydrophobicContact CZ-CD2 3.73Å; F41-L50 HydrophobicContact CZ-CG 4.34Å; L50-Y90 HydrophobicContact CD1-CD2 4.36Å; L50-Y90 HydrophobicContact CD1-CE2 4.15Å; L50-Y100 HydrophobicContact CD2-CE2 4.29Å; L50-K104 HydrophobicContact CD1-CB 3.63Å; L50-K104 HydrophobicContact CG-CB 4.15Å; L50-F105 CarbonylContact C-O 3.46Å; L50-F105 WeakPolarHBondContact CA-O 3.32Å; L50-I106 HydrophobicContact CB-CD1 4.02Å; L50-I106 HydrophobicContact CD1-CD1 3.61Å; L50-I106 HydrophobicContact CD1-CG1 4.12Å; L50-I106 HydrophobicContact CG-CD1 4.46Å
51	F	98.5	Very high	96.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.9	179	-66.3	-87.4	0	0	0	111.8	Y21 A31 E35 L36 Y49 V54 K104 F105 I107 M112	Y21-F51 AromaticContact CD2-CE1 3.53Å; Y21-F51 HydrophobicContact CD2-CE1 3.53Å; Y21-F51 AromaticContact CD2-CZ 3.63Å; Y21-F51 HydrophobicContact CD2-CZ 3.63Å; Y21-F51 AromaticContact CE2-CE1 3.54Å; Y21-F51 HydrophobicContact CE2-CE1 3.54Å; Y21-F51 AromaticContact CE2-CZ 3.71Å; Y21-F51 HydrophobicContact CE2-CZ 3.71Å; Y21-F51 HydrophobicContact CG-CE1 4.37Å; Y21-F51 HydrophobicContact CG-CZ 4.04Å; A31-F51 HydrophobicContact CB-CD1 3.63Å; A31-F51 HydrophobicContact CB-CE1 3.68Å; A31-F51 HydrophobicContact CB-CG 4.14Å; A31-F51 HydrophobicContact CB-CZ 4.22Å; E35-F51 HydrophobicContact CB-CD1 4.34Å; E35-F51 CarbonylContact O-C 3.59Å; E35-F51 VanDerWaalsContact O-CA 3.26Å; E35-F51 WeakPolarHBondContact O-CA 3.34Å; L36-F51 HydrophobicContact CB-CD1 4.17Å; L36-F51 HydrophobicContact CB-CE1 3.92Å; L36-F51 HydrophobicContact CD1-CD1 4.16Å; L36-F51 HydrophobicContact CD1-CE1 3.7Å; L36-F51 HydrophobicContact CD1-CE2 4.31Å; L36-F51 HydrophobicContact CD1-CZ 3.8Å; L36-F51 HydrophobicContact CG-CE1 4.41Å; Y49-F51 HydrophobicContact CD2-CZ 4.23Å; F51-V54 HydrophobicContact CB-CG1 4.04Å; F51-K104 WeakPolarHBondContact O-CA 3.19Å; F51-K104 WeakPolarHBondContact O-CB 3.26Å; F51-F105 HydrophobicContact CB-CB 4.44Å; F51-F105 PolarHBondContact N-O 2.88Å; F51-F105 PolarHBondContact O-N 3.06Å; F51-I107 HydrophobicContact CD2-CB 4.43Å; F51-I107 HydrophobicContact CD2-CD1 4.24Å; F51-I107 HydrophobicContact CD2-CG1 4.37Å; F51-I107 HydrophobicContact CE2-CB 4.18Å; F51-I107 HydrophobicContact CE2-CD1 4.32Å; F51-M112 HydrophobicContact CE2-CE 4.35Å; F51-M112 HydrophobicContact CE2-SD 4.11Å; F51-M112 HydrophobicContact CZ-CE 4.23Å; F51-M112 HydrophobicContact CZ-SD 4.04Å
52	N	98.1	Very high	96.5	Very high	71 Å²	71	52.1 Å²	52.1	38%	0.38	31%	0.309	S	S	.	.	S	Bend	trans	-74.8	-47	174	178.8	71.4	0	0	0	112	E35 I37 K104	E35-N52 PolarHBondContact O-N 2.93Å; E35-N52 VanDerWaalsContact OE2-CB 3.26Å; E35-N52 WeakPolarHBondContact OE2-CB 3.41Å; E35-N52 PolarHBondContact OE2-ND2 3.23Å; I37-N52 HydrophobicContact CD1-CB 3.8Å; I37-N52 HydrophobicContact CG1-CB 4.07Å; N52-K104 PolarHBondContact OD1-NZ 3.17Å
53	S	96.9	Very high	96.6	Very high	54 Å²	54	49.2 Å²	49.2	38%	0.378	30%	0.296	S	S	.	.			trans	-138.2	154.5	176.9	-169.4	0	0	0	0	111.4	E35	E35-S53 VanDerWaalsContact OE2-CB 3.23Å; E35-S53 WeakPolarHBondContact OE2-CB 3.5Å; E35-S53 PolarHBondContact OE2-N 3.48Å; E35-S53 VanDerWaalsContact OE2-N 3.09Å
54	V	97.6	Very high	96.9	Very high	21 Å²	21	54.5 Å²	54.5	13%	0.127	32%	0.315	C	S	.	.			trans	-140.3	156.1	179.3	-59.8	0	0	0	0	110.5	L30 A31 F51 V57 F105 I107	L30-V54 CarbonylContact O-C 3.59Å; L30-V54 WeakPolarHBondContact O-CA 3.5Å; L30-V54 VanDerWaalsContact O-CB 3.31Å; L30-V54 WeakPolarHBondContact O-CB 3.45Å; A31-V54 HydrophobicContact CB-CG1 4.36Å; F51-V54 HydrophobicContact CB-CG1 4.04Å; V54-V57 HydrophobicContact CB-CG2 4.16Å; V54-V57 HydrophobicContact CG2-CB 3.83Å; V54-V57 HydrophobicContact CG2-CG1 4.14Å; V54-V57 HydrophobicContact CG2-CG2 3.94Å; V54-F105 HydrophobicContact CB-CG 4.41Å; V54-F105 HydrophobicContact CG1-CB 3.7Å; V54-F105 HydrophobicContact CG1-CD1 4.38Å; V54-F105 HydrophobicContact CG1-CD2 4.15Å; V54-F105 HydrophobicContact CG1-CG 3.83Å; V54-F105 HydrophobicContact CG2-CB 4.36Å; V54-F105 HydrophobicContact CG2-CD1 3.46Å; V54-F105 VanDerWaalsContact CG2-CD1 3.46Å; V54-F105 HydrophobicContact CG2-CD2 3.99Å; V54-F105 HydrophobicContact CG2-CE1 3.58Å; V54-F105 HydrophobicContact CG2-CE2 4.12Å; V54-F105 HydrophobicContact CG2-CG 3.67Å; V54-F105 HydrophobicContact CG2-CZ 3.92Å; V54-I107 HydrophobicContact CG1-CD1 3.86Å
55	V	96.9	Very high	97.2	Very high	37 Å²	37	52 Å²	52	22%	0.224	29%	0.288	C	S	.	.	S	Bend	trans	-125.5	156.9	179.4	-63.1	0	0	0	0	111.1	A12 L14 H29 L30 V57	A12-V55 HydrophobicContact CB-CB 4.07Å; A12-V55 HydrophobicContact CB-CG1 4.38Å; L14-V55 HydrophobicContact CD1-CG2 4.14Å; L14-V55 HydrophobicContact CD2-CG1 4.42Å; L14-V55 HydrophobicContact CD2-CG2 4.19Å; L14-V55 HydrophobicContact CG-CG2 4.13Å; H29-V55 HydrophobicContact CB-CG2 4.35Å; L30-V55 WeakPolarHBondContact CA-O 3.14Å; L30-V55 PolarHBondContact O-N 2.91Å; V55-V57 WeakPolarHBondContact O-CG2 3.45Å; V55-V57 PolarHBondContact O-N 2.67Å
56	N	96.9	Very high	97.4	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.07	30%	0.299	C	S	.	.	S	Bend	trans	55.7	31.9	-177.6	-50	-53.1	0	0	0	113.8	Q11 A12 A28 H29 E80	Q11-N56 WeakPolarHBondContact CA-OD1 3.34Å; A12-N56 PolarHBondContact N-OD1 2.95Å; A12-N56 PolarHBondContact O-ND2 3.25Å; A28-N56 HydrophobicContact CB-CB 4.47Å; H29-N56 WeakPolarHBondContact O-CB 3.17Å; H29-N56 PolarHBondContact O-ND2 2.78Å; N56-E80 WeakPolarHBondContact CA-OE2 3.41Å; N56-E80 PolarHBondContact O-N 2.74Å
57	V	97.4	Very high	97.3	Very high	20 Å²	20	53.2 Å²	53.2	12%	0.121	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132	-179.6	171.7	0	0	0	0	109.7	L30 V54 V55 I77 Y78 E80 L86	L30-V57 HydrophobicContact CD2-CG2 3.91Å; V54-V57 HydrophobicContact CB-CG2 4.16Å; V54-V57 HydrophobicContact CG2-CB 3.83Å; V54-V57 HydrophobicContact CG2-CG1 4.14Å; V54-V57 HydrophobicContact CG2-CG2 3.94Å; V55-V57 WeakPolarHBondContact O-CG2 3.45Å; V55-V57 PolarHBondContact O-N 2.67Å; V57-I77 HydrophobicContact CG1-CB 3.52Å; V57-I77 HydrophobicContact CG1-CD1 3.92Å; V57-I77 HydrophobicContact CG1-CG1 4.27Å; V57-I77 HydrophobicContact CG1-CG2 3.92Å; V57-Y78 WeakPolarHBondContact CA-O 3.33Å; V57-E80 VanDerWaalsContact C-CG 3.49Å; V57-L86 HydrophobicContact CG2-CD1 3.91Å
58	G	96.8	Very high	97.1	Very high	7 Å²	7	53.9 Å²	53.9	7%	0.072	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	152.2	169.9	0	0	0	0	0	110.2	I77 Y78 E80	G58-I77 VanDerWaalsContact O-CA 3.26Å; G58-I77 WeakPolarHBondContact O-CA 3.37Å; G58-Y78 PolarHBondContact N-O 3.2Å; G58-Y78 PolarHBondContact O-N 3.34Å; G58-E80 VanDerWaalsContact N-CG 3.34Å
59	C	97.3	Very high	96.8	Very high	56 Å²	56	56 Å²	56	38%	0.378	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.5	176.2	-60.3	0	0	0	0	109.8	A75 D76	C59-A75 HydrophobicContact CB-CB 4.46Å; C59-D76 CarbonylContact C-O 3.54Å; C59-D76 WeakPolarHBondContact CA-O 3.49Å
60	G	97.2	Very high	96.7	Very high	25 Å²	25	55.3 Å²	55.3	26%	0.258	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-172.5	167.2	0	0	0	0	0	112.4	D76	G60-D76 PolarHBondContact N-O 3.39Å
61	P	97.6	Very high	96.6	Very high	96 Å²	96	58.2 Å²	58.2	62%	0.623	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	149.7	171.7	29.9	-34.2	0	0	0	111
62	A	97.3	Very high	96.6	Very high	61 Å²	61	58.3 Å²	58.3	50%	0.504	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	134.1	172.8	0	0	0	0	0	110.3	V74 E91	A62-V74 WeakPolarHBondContact CA-O 3.45Å; A62-E91 HydrophobicContact CB-CB 4.35Å; A62-E91 HydrophobicContact CB-CG 3.93Å
63	E	97.8	Very high	96.6	Very high	94 Å²	94	55.6 Å²	55.6	44%	0.439	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.9	179.2	-65.4	178	173.7	0	0	110	R65 A73 V74	E63-R65 IonicContact OE2-CZ 3.67Å; E63-R65 IonicContact OE2-NE 3.64Å; E63-R65 IonicContact OE2-NH2 2.84Å; E63-R65 PolarHBondContact OE2-NH2 3.07Å; E63-A73 WeakPolarHBondContact O-CA 3.48Å; E63-V74 PolarHBondContact N-O 3.17Å; E63-V74 PolarHBondContact O-N 2.95Å
64	E	98.1	Very high	96.7	Very high	132 Å²	132	53.1 Å²	53.1	62%	0.617	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	128.5	174.7	-69	-175.9	179.1	0	0	110.8	L71 H72 A73	E64-L71 HydrophobicContact CB-CD1 4.31Å; E64-H72 CarbonylContact C-O 3.52Å; E64-H72 WeakPolarHBondContact CA-O 3.26Å; E64-A73 HydrophobicContact CG-CB 4.45Å
65	R	97.1	Very high	96.7	Very high	62 Å²	62	52.1 Å²	52.1	23%	0.234	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	136.3	179.9	-58.9	-174.1	-168.5	147.5	-6	110.3	E63 L67 H72 V74 D76	E63-R65 IonicContact OE2-CZ 3.67Å; E63-R65 IonicContact OE2-NE 3.64Å; E63-R65 IonicContact OE2-NH2 2.84Å; E63-R65 PolarHBondContact OE2-NH2 3.07Å; R65-L67 HydrophobicContact CB-CD2 4.41Å; R65-L67 PolarHBondContact O-N 2.78Å; R65-H72 PolarHBondContact N-O 3.11Å; R65-H72 PolarHBondContact O-N 2.86Å; R65-V74 HydrophobicContact CB-CG2 4.1Å; R65-V74 HydrophobicContact CG-CG2 3.89Å; R65-D76 IonicContact CZ-OD1 3.22Å; R65-D76 IonicContact CZ-OD2 3.51Å; R65-D76 IonicContact NH1-OD1 3.69Å; R65-D76 PolarHBondContact NH1-OD1 3.41Å; R65-D76 IonicContact NH1-OD2 2.7Å; R65-D76 IonicContact NH2-OD1 3.61Å; R65-D76 PolarHBondContact NH2-OD1 3.06Å; R65-D76 IonicContact NH2-OD2 3.43Å; R65-D76 PolarHBondContact NH2-OD2 3.01Å
66	V	96.3	Very high	96.8	Very high	124 Å²	124	53.3 Å²	53.3	75%	0.752	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.1	170.6	-179.2	0	0	0	0	108.1	L71	V66-L71 HydrophobicContact CG2-CD1 3.9Å
67	L	94.3	Very high	96.9	Very high	48 Å²	48	52.7 Å²	52.7	25%	0.251	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	175.7	175.8	-57.2	180	0	0	0	109.6	R65 T69 G70 H72 V74 Y90	R65-L67 HydrophobicContact CB-CD2 4.41Å; R65-L67 PolarHBondContact O-N 2.78Å; L67-T69 PolarHBondContact O-N 2.88Å; L67-G70 PolarHBondContact N-O 3.19Å; L67-G70 PolarHBondContact O-N 3.19Å; L67-H72 HydrophobicContact CD1-CB 4.23Å; L67-V74 HydrophobicContact CD1-CG1 4.25Å; L67-Y90 HydrophobicContact CD1-CE1 3.69Å
68	L	91.4	Very high	96.9	Very high	179 Å²	179	55.5 Å²	55.5	94%	0.937	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.7	179.5	-175.5	65.6	0	0	0	113.2
69	T	92.5	Very high	96.9	Very high	45 Å²	45	55.2 Å²	55.2	28%	0.276	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	23.3	-178.8	63.4	0	0	0	0	113.2	L67 H72 Q98 K101	L67-T69 PolarHBondContact O-N 2.88Å; T69-H72 PolarHBondContact O-CE1 2.88Å; T69-H72 PolarHBondContact OG1-CE1 3.21Å; T69-H72 VanDerWaalsContact OG1-CE1 3.26Å; T69-Q98 PolarHBondContact OG1-OE1 3.08Å; T69-K101 PolarHBondContact OG1-NZ 2.76Å
70	G	95.4	Very high	96.9	Very high	16 Å²	16	54.5 Å²	54.5	17%	0.165	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	102.2	-169.6	178.2	0	0	0	0	0	114.6	L67 H72	L67-G70 PolarHBondContact N-O 3.19Å; L67-G70 PolarHBondContact O-N 3.19Å; G70-H72 PolarHBondContact O-CE1 2.79Å; G70-H72 PolarHBondContact O-ND1 3.29Å
71	L	97.6	Very high	96.8	Very high	62 Å²	62	57.2 Å²	57.2	33%	0.325	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133.7	-178.5	-173.7	66.6	0	0	0	111.3	E64 V66 F94	E64-L71 HydrophobicContact CB-CD1 4.31Å; V66-L71 HydrophobicContact CG2-CD1 3.9Å; L71-F94 HydrophobicContact CB-CD2 4.09Å; L71-F94 HydrophobicContact CD2-CD2 3.9Å; L71-F94 HydrophobicContact CD2-CE2 3.93Å; L71-F94 HydrophobicContact CD2-CG 4.25Å; L71-F94 HydrophobicContact CD2-CZ 4.3Å; L71-F94 HydrophobicContact CG-CD2 3.74Å; L71-F94 HydrophobicContact CG-CE2 3.88Å; L71-F94 HydrophobicContact CG-CG 4.45Å; L71-F94 WeakPolarHBondContact O-CD2 3.1Å; L71-F94 PolarHBondContact O-N 2.94Å
72	H	98.4	Very high	96.7	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.8	176.4	-64.1	70.5	0	0	0	110.1	E64 R65 L67 T69 G70 V74 Y90 H92	E64-H72 CarbonylContact C-O 3.52Å; E64-H72 WeakPolarHBondContact CA-O 3.26Å; R65-H72 PolarHBondContact N-O 3.11Å; R65-H72 PolarHBondContact O-N 2.86Å; L67-H72 HydrophobicContact CD1-CB 4.23Å; T69-H72 PolarHBondContact O-CE1 2.88Å; T69-H72 PolarHBondContact OG1-CE1 3.21Å; T69-H72 VanDerWaalsContact OG1-CE1 3.26Å; G70-H72 PolarHBondContact O-CE1 2.79Å; G70-H72 PolarHBondContact O-ND1 3.29Å; H72-V74 HydrophobicContact CB-CG1 3.89Å; H72-Y90 HydrophobicContact CB-CD1 4.29Å; H72-Y90 HydrophobicContact CB-CE1 4.43Å; H72-Y90 AromaticContact CD2-CD1 3.58Å; H72-Y90 AromaticContact CD2-CE1 3.61Å; H72-H92 CarbonylContact C-O 3.54Å; H72-H92 VanDerWaalsContact CA-O 3.32Å; H72-H92 WeakPolarHBondContact CA-O 3.47Å
73	A	98.4	Very high	96.6	Very high	15 Å²	15	56.1 Å²	56.1	12%	0.124	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122	159	0	0	0	0	0	108.2	E63 E64 E91 H92	E63-A73 WeakPolarHBondContact O-CA 3.48Å; E64-A73 HydrophobicContact CG-CB 4.45Å; A73-E91 HydrophobicContact CB-CB 4.47Å; A73-E91 PolarHBondContact O-N 2.94Å; A73-H92 HydrophobicContact CB-CB 3.83Å; A73-H92 PolarHBondContact N-O 2.86Å; A73-H92 PolarHBondContact O-N 3.28Å
74	V	98.3	Very high	96.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.5	-177.3	-62.3	0	0	0	0	110.8	A62 E63 R65 L67 H72 W88 K89 Y90	A62-V74 WeakPolarHBondContact CA-O 3.45Å; E63-V74 PolarHBondContact N-O 3.17Å; E63-V74 PolarHBondContact O-N 2.95Å; R65-V74 HydrophobicContact CB-CG2 4.1Å; R65-V74 HydrophobicContact CG-CG2 3.89Å; L67-V74 HydrophobicContact CD1-CG1 4.25Å; H72-V74 HydrophobicContact CB-CG1 3.89Å; V74-W88 HydrophobicContact CB-CB 4.29Å; V74-W88 HydrophobicContact CB-CG 4.27Å; V74-W88 HydrophobicContact CG1-CG 4.48Å; V74-K89 CarbonylContact C-O 3.58Å; V74-K89 WeakPolarHBondContact CA-O 3.49Å; V74-K89 WeakPolarHBondContact CB-O 3.28Å; V74-Y90 HydrophobicContact CG1-CD1 3.78Å; V74-Y90 HydrophobicContact CG1-CE1 4.12Å
75	A	98.5	Very high	96.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.2	174.8	0	0	0	0	0	109.5	C59 I77 W88 K89 E91	C59-A75 HydrophobicContact CB-CB 4.46Å; A75-I77 PolarHBondContact O-N 3.1Å; A75-W88 CarbonylContact O-C 3.53Å; A75-W88 WeakPolarHBondContact O-CA 3.02Å; A75-W88 WeakPolarHBondContact O-CB 3.28Å; A75-K89 PolarHBondContact N-O 3.03Å; A75-K89 PolarHBondContact O-N 2.82Å; A75-E91 HydrophobicContact CB-CG 4.07Å
76	D	98.2	Very high	96.6	Very high	62 Å²	62	47.9 Å²	47.9	33%	0.332	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	138.6	174.7	-70.8	-32.1	0	0	0	110.3	C59 G60 R65	C59-D76 CarbonylContact C-O 3.54Å; C59-D76 WeakPolarHBondContact CA-O 3.49Å; G60-D76 PolarHBondContact N-O 3.39Å; R65-D76 IonicContact CZ-OD1 3.22Å; R65-D76 IonicContact CZ-OD2 3.51Å; R65-D76 IonicContact NH1-OD1 3.69Å; R65-D76 PolarHBondContact NH1-OD1 3.41Å; R65-D76 IonicContact NH1-OD2 2.7Å; R65-D76 IonicContact NH2-OD1 3.61Å; R65-D76 PolarHBondContact NH2-OD1 3.06Å; R65-D76 IonicContact NH2-OD2 3.43Å; R65-D76 PolarHBondContact NH2-OD2 3.01Å
77	I	98.4	Very high	96.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.9	177.2	62.4	156.5	0	0	0	111.2	V57 G58 A75 T85 L86 G87 K89 F105 I107	V57-I77 HydrophobicContact CG1-CB 3.52Å; V57-I77 HydrophobicContact CG1-CD1 3.92Å; V57-I77 HydrophobicContact CG1-CG1 4.27Å; V57-I77 HydrophobicContact CG1-CG2 3.92Å; G58-I77 VanDerWaalsContact O-CA 3.26Å; G58-I77 WeakPolarHBondContact O-CA 3.37Å; A75-I77 PolarHBondContact O-N 3.1Å; I77-T85 WeakPolarHBondContact O-CA 3.36Å; I77-L86 HydrophobicContact CD1-CB 4.18Å; I77-L86 HydrophobicContact CG1-CB 4.24Å; I77-L86 PolarHBondContact O-N 3.24Å; I77-G87 WeakPolarHBondContact CG1-O 3.3Å; I77-G87 PolarHBondContact N-O 3.41Å; I77-K89 HydrophobicContact CG2-CB 4Å; I77-F105 HydrophobicContact CD1-CD1 4.45Å; I77-F105 HydrophobicContact CG2-CD1 4.25Å; I77-I107 HydrophobicContact CD1-CG1 3.85Å
78	Y	98.3	Very high	96.9	Very high	80 Å²	80	41.1 Å²	41.1	31%	0.314	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.4	-179.6	53.3	-93.9	0	0	0	111.1	V57 G58 E80 K83 T84	V57-Y78 WeakPolarHBondContact CA-O 3.33Å; G58-Y78 PolarHBondContact N-O 3.2Å; G58-Y78 PolarHBondContact O-N 3.34Å; Y78-E80 PolarHBondContact O-N 2.82Å; Y78-K83 HydrophobicContact CD2-CD 4.29Å; Y78-T84 CarbonylContact C-O 3.54Å; Y78-T84 VanDerWaalsContact CA-O 3.25Å; Y78-T84 WeakPolarHBondContact CA-O 3.21Å
79	C	97.8	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	125.8	173.3	-177.4	0	0	0	0	109.4	N81 K83 T84 L86	C79-N81 PolarHBondContact O-N 3.22Å; C79-K83 WeakPolarHBondContact O-CA 3.13Å; C79-K83 PolarHBondContact O-N 3.28Å; C79-T84 PolarHBondContact N-O 3.38Å; C79-L86 HydrophobicContact CB-CD1 3.97Å; C79-L86 HydrophobicContact CB-CD2 4.3Å; C79-L86 HydrophobicContact CB-CG 4.3Å
80	E	96.3	Very high	97.5	Very high	41 Å²	41	32.7 Å²	32.7	19%	0.192	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.1	-179.9	-72.3	-175.2	129.4	0	0	112.7	K8 N56 V57 G58 Y78 K83	K8-E80 VanDerWaalsContact CD-OE2 3.3Å; K8-E80 WeakPolarHBondContact CD-OE2 3.43Å; K8-E80 WeakPolarHBondContact CE-OE1 3.42Å; K8-E80 WeakPolarHBondContact CE-OE2 3.48Å; K8-E80 IonicContact NZ-OE1 2.82Å; K8-E80 PolarHBondContact NZ-OE1 3.27Å; K8-E80 IonicContact NZ-OE2 2.74Å; K8-E80 PolarHBondContact NZ-OE2 3.2Å; N56-E80 WeakPolarHBondContact CA-OE2 3.41Å; N56-E80 PolarHBondContact O-N 2.74Å; V57-E80 VanDerWaalsContact C-CG 3.49Å; G58-E80 VanDerWaalsContact N-CG 3.34Å; Y78-E80 PolarHBondContact O-N 2.82Å; E80-K83 WeakPolarHBondContact O-CE 3.49Å; E80-K83 PolarHBondContact O-NZ 3.05Å
81	N	94.3	Very high	97.7	Very high	82 Å²	82	35.4 Å²	35.4	44%	0.439	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-57.8	-178.1	-167.5	56.1	0	0	0	112.6	Q11 C26 A28 C79	Q11-N81 PolarHBondContact NE2-OD1 2.93Å; C26-N81 WeakPolarHBondContact CB-ND2 3.43Å; C26-N81 PolarHBondContact SG-ND2 2.96Å; C26-N81 VanDerWaalsContact SG-ND2 3.41Å; A28-N81 HydrophobicContact CB-CB 4.21Å; C79-N81 PolarHBondContact O-N 3.22Å
82	C	95.9	Very high	97.7	Very high	44 Å²	44	36.1 Å²	36.1	30%	0.297	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-1.8	-176	67	0	0	0	0	115	C23 C26 T84	C23-C82 VanDerWaalsContact SG-SG 3.64Å; C26-C82 HydrophobicContact CB-CB 3.84Å; C82-T84 PolarHBondContact O-N 2.86Å; C82-T84 VanDerWaalsContact O-N 3.07Å; C82-T84 PolarHBondContact SG-OG1 2.84Å
83	K	95.9	Very high	97.7	Very high	90 Å²	90	36.1 Å²	36.1	39%	0.391	18%	0.183	S	C	.	.			trans	62.8	6.7	179.7	-48.8	-53	-173.4	-168.5	0	115.9	Y78 C79 E80 T85	Y78-K83 HydrophobicContact CD2-CD 4.29Å; C79-K83 WeakPolarHBondContact O-CA 3.13Å; C79-K83 PolarHBondContact O-N 3.28Å; E80-K83 WeakPolarHBondContact O-CE 3.49Å; E80-K83 PolarHBondContact O-NZ 3.05Å; K83-T85 PolarHBondContact O-N 2.95Å
84	T	97.2	Very high	97.6	Very high	37 Å²	37	40 Å²	40	23%	0.227	20%	0.197	C	C	.	.			trans	-61.4	132.1	172.2	-49.9	0	0	0	0	110	Y78 C79 C82	Y78-T84 CarbonylContact C-O 3.54Å; Y78-T84 VanDerWaalsContact CA-O 3.25Å; Y78-T84 WeakPolarHBondContact CA-O 3.21Å; C79-T84 PolarHBondContact N-O 3.38Å; C82-T84 PolarHBondContact O-N 2.86Å; C82-T84 VanDerWaalsContact O-N 3.07Å; C82-T84 PolarHBondContact SG-OG1 2.84Å
85	T	97.8	Very high	97.5	Very high	78 Å²	78	44.3 Å²	44.3	48%	0.479	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.8	169.4	-52.4	0	0	0	0	110	I77 K83 H111	I77-T85 WeakPolarHBondContact O-CA 3.36Å; K83-T85 PolarHBondContact O-N 2.95Å; T85-H111 PolarHBondContact O-CD2 3.41Å; T85-H111 PolarHBondContact O-NE2 3.37Å
86	L	98.1	Very high	97.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-24.5	-174.3	-59.7	175.1	0	0	0	112.9	L30 V57 I77 C79 I107 E108 H111	L30-L86 HydrophobicContact CD1-CD1 3.83Å; L30-L86 HydrophobicContact CD1-CD2 4.14Å; L30-L86 HydrophobicContact CD2-CD1 3.57Å; L30-L86 HydrophobicContact CG-CD1 4.34Å; V57-L86 HydrophobicContact CG2-CD1 3.91Å; I77-L86 HydrophobicContact CD1-CB 4.18Å; I77-L86 HydrophobicContact CG1-CB 4.24Å; I77-L86 PolarHBondContact O-N 3.24Å; C79-L86 HydrophobicContact CB-CD1 3.97Å; C79-L86 HydrophobicContact CB-CD2 4.3Å; C79-L86 HydrophobicContact CB-CG 4.3Å; L86-I107 HydrophobicContact CB-CG2 4.4Å; L86-I107 WeakPolarHBondContact O-CA 3.38Å; L86-E108 PolarHBondContact O-N 3.48Å; L86-H111 HydrophobicContact CD2-CB 3.73Å
87	G	98.1	Very high	97.4	Very high	3 Å²	3	50 Å²	50	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.2	-141	-173.6	0	0	0	0	0	110.1	I77 I106	I77-G87 WeakPolarHBondContact CG1-O 3.3Å; I77-G87 PolarHBondContact N-O 3.41Å; G87-I106 WeakPolarHBondContact CA-O 3.37Å
88	W	98.5	Very high	97.4	Very high	28 Å²	28	51.2 Å²	51.2	11%	0.106	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	160	179.7	63.5	91.6	0	0	0	113.2	V74 A75 Y90 I106	V74-W88 HydrophobicContact CB-CB 4.29Å; V74-W88 HydrophobicContact CB-CG 4.27Å; V74-W88 HydrophobicContact CG1-CG 4.48Å; A75-W88 CarbonylContact O-C 3.53Å; A75-W88 WeakPolarHBondContact O-CA 3.02Å; A75-W88 WeakPolarHBondContact O-CB 3.28Å; W88-Y90 AromaticContact NE1-CE1 3.76Å; W88-Y90 AromaticContact NE1-CE2 3.6Å; W88-Y90 AromaticContact NE1-CZ 3.35Å; W88-Y90 VanDerWaalsContact NE1-CZ 3.35Å; W88-I106 HydrophobicContact CD2-CB 3.94Å; W88-I106 HydrophobicContact CD2-CG1 4.41Å; W88-I106 HydrophobicContact CD2-CG2 4.12Å; W88-I106 HydrophobicContact CE3-CB 4.32Å; W88-I106 HydrophobicContact CE3-CG2 4.02Å; W88-I106 HydrophobicContact CG-CB 4.4Å; W88-I106 HydrophobicContact CH2-CB 4.3Å; W88-I106 HydrophobicContact CH2-CG2 3.57Å; W88-I106 HydrophobicContact CZ2-CB 3.93Å; W88-I106 HydrophobicContact CZ2-CG1 3.79Å; W88-I106 HydrophobicContact CZ2-CG2 3.67Å; W88-I106 HydrophobicContact CZ3-CB 4.48Å; W88-I106 HydrophobicContact CZ3-CG2 3.75Å; W88-I106 PolarHBondContact N-O 3.05Å; W88-I106 VanDerWaalsContact N-O 3.14Å; W88-I106 PolarHBondContact O-N 2.76Å
89	K	98.6	Very high	97.3	Very high	40 Å²	40	50.9 Å²	50.9	17%	0.174	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.4	167.3	-177.2	-171.6	164.2	-143.6	0	109.2	V74 A75 I77 E91 K104 F105	V74-K89 CarbonylContact C-O 3.58Å; V74-K89 WeakPolarHBondContact CA-O 3.49Å; V74-K89 WeakPolarHBondContact CB-O 3.28Å; A75-K89 PolarHBondContact N-O 3.03Å; A75-K89 PolarHBondContact O-N 2.82Å; I77-K89 HydrophobicContact CG2-CB 4Å; K89-E91 WeakPolarHBondContact CD-OE1 3.31Å; K89-E91 WeakPolarHBondContact CE-OE1 3.46Å; K89-E91 IonicContact NZ-OE1 2.78Å; K89-E91 PolarHBondContact NZ-OE1 2.89Å; K89-E91 IonicContact NZ-OE2 2.95Å; K89-E91 PolarHBondContact NZ-OE2 3.12Å; K89-E91 PolarHBondContact O-N 3.3Å; K89-K104 WeakPolarHBondContact CA-O 3.21Å; K89-F105 HydrophobicContact CB-CD1 3.81Å; K89-F105 HydrophobicContact CB-CE1 3.9Å; K89-F105 HydrophobicContact CD-CD1 4.26Å; K89-F105 HydrophobicContact CD-CE1 3.54Å; K89-F105 HydrophobicContact CD-CZ 3.68Å; K89-F105 HydrophobicContact CG-CD1 3.91Å; K89-F105 HydrophobicContact CG-CE1 3.72Å; K89-F105 HydrophobicContact CG-CG 4.45Å; K89-F105 HydrophobicContact CG-CZ 4.06Å
90	Y	98.4	Very high	97.3	Very high	7 Å²	7	57 Å²	57	3%	0.027	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	114.4	170	-70.4	-81	0	0	0	109.9	L50 L67 H72 V74 W88 K101 G103 K104 I106	L50-Y90 HydrophobicContact CD1-CD2 4.36Å; L50-Y90 HydrophobicContact CD1-CE2 4.15Å; L67-Y90 HydrophobicContact CD1-CE1 3.69Å; H72-Y90 HydrophobicContact CB-CD1 4.29Å; H72-Y90 HydrophobicContact CB-CE1 4.43Å; H72-Y90 AromaticContact CD2-CD1 3.58Å; H72-Y90 AromaticContact CD2-CE1 3.61Å; V74-Y90 HydrophobicContact CG1-CD1 3.78Å; V74-Y90 HydrophobicContact CG1-CE1 4.12Å; W88-Y90 AromaticContact NE1-CE1 3.76Å; W88-Y90 AromaticContact NE1-CE2 3.6Å; W88-Y90 AromaticContact NE1-CZ 3.35Å; W88-Y90 VanDerWaalsContact NE1-CZ 3.35Å; Y90-K101 WeakPolarHBondContact CB-O 3.36Å; Y90-K101 HydrophobicContact CD1-CB 4.21Å; Y90-K101 HydrophobicContact CD1-CD 4.47Å; Y90-K101 HydrophobicContact CD2-CB 3.77Å; Y90-K101 HydrophobicContact CE1-CD 4.03Å; Y90-K101 HydrophobicContact CE2-CB 4.12Å; Y90-K101 HydrophobicContact CE2-CD 4.06Å; Y90-K101 HydrophobicContact CE2-CG 4.4Å; Y90-K101 HydrophobicContact CG-CB 3.81Å; Y90-G103 PolarHBondContact O-N 2.81Å; Y90-K104 PolarHBondContact N-O 2.74Å; Y90-I106 HydrophobicContact CD2-CG1 4.36Å; Y90-I106 HydrophobicContact CE2-CD1 4.16Å; Y90-I106 HydrophobicContact CE2-CG1 3.56Å
91	E	98.4	Very high	97.4	Very high	73 Å²	73	55.2 Å²	55.2	34%	0.341	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-39.5	175	-65.8	-65	167.9	0	0	111	A62 A73 A75 K89	A62-E91 HydrophobicContact CB-CB 4.35Å; A62-E91 HydrophobicContact CB-CG 3.93Å; A73-E91 HydrophobicContact CB-CB 4.47Å; A73-E91 PolarHBondContact O-N 2.94Å; A75-E91 HydrophobicContact CB-CG 4.07Å; K89-E91 WeakPolarHBondContact CD-OE1 3.31Å; K89-E91 WeakPolarHBondContact CE-OE1 3.46Å; K89-E91 IonicContact NZ-OE1 2.78Å; K89-E91 PolarHBondContact NZ-OE1 2.89Å; K89-E91 IonicContact NZ-OE2 2.95Å; K89-E91 PolarHBondContact NZ-OE2 3.12Å; K89-E91 PolarHBondContact O-N 3.3Å
92	H	98.1	Very high	97.6	Very high	77 Å²	77	54.2 Å²	54.2	36%	0.356	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.2	177.8	-161.2	74.3	0	0	0	111.8	H72 A73 K99 E102	H72-H92 CarbonylContact C-O 3.54Å; H72-H92 VanDerWaalsContact CA-O 3.32Å; H72-H92 WeakPolarHBondContact CA-O 3.47Å; A73-H92 HydrophobicContact CB-CB 3.83Å; A73-H92 PolarHBondContact N-O 2.86Å; A73-H92 PolarHBondContact O-N 3.28Å; H92-K99 PolarHBondContact CE1-NZ 2.83Å; H92-K99 PolarHBondContact NE2-NZ 2.8Å; H92-E102 WeakPolarHBondContact CA-OE1 3.37Å; H92-E102 IonicContact CE1-OE1 3.55Å; H92-E102 IonicContact CG-OE1 2.78Å; H92-E102 IonicContact ND1-OE1 3.58Å; H92-E102 PolarHBondContact ND1-OE1 2.78Å
93	A	97.8	Very high	97.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.3	169.5	0	0	0	0	0	109.4	Q98 K99 E102	A93-Q98 HydrophobicContact CB-CB 3.79Å; A93-K99 HydrophobicContact CB-CD 4.5Å; A93-K99 WeakPolarHBondContact O-CD 3.41Å; A93-K99 WeakPolarHBondContact O-CE 3.29Å; A93-K99 PolarHBondContact O-NZ 2.79Å; A93-E102 HydrophobicContact CB-CG 4.19Å; A93-E102 PolarHBondContact N-OE1 3.09Å
94	F	96.6	Very high	97.8	Very high	97 Å²	97	51.7 Å²	51.7	43%	0.425	27%	0.269	S	S	.	.	S	Bend	trans	-79.5	-23.4	-175.4	-69.9	-94.6	0	0	0	112.7	L71	L71-F94 HydrophobicContact CB-CD2 4.09Å; L71-F94 HydrophobicContact CD2-CD2 3.9Å; L71-F94 HydrophobicContact CD2-CE2 3.93Å; L71-F94 HydrophobicContact CD2-CG 4.25Å; L71-F94 HydrophobicContact CD2-CZ 4.3Å; L71-F94 HydrophobicContact CG-CD2 3.74Å; L71-F94 HydrophobicContact CG-CE2 3.88Å; L71-F94 HydrophobicContact CG-CG 4.45Å; L71-F94 WeakPolarHBondContact O-CD2 3.1Å; L71-F94 PolarHBondContact O-N 2.94Å
95	E	96.9	Very high	97.9	Very high	91 Å²	91	51.3 Å²	51.3	43%	0.425	27%	0.265	S	S	.	.	S	Bend	trans	-91	131.2	175.4	-66.6	-178.7	-160.1	0	0	111.7	S97 Q98 K99	E95-S97 PolarHBondContact O-N 2.92Å; E95-S97 VanDerWaalsContact O-N 3.17Å; E95-Q98 HydrophobicContact CB-CB 4.45Å; E95-Q98 HydrophobicContact CB-CG 4.04Å; E95-Q98 PolarHBondContact O-N 2.98Å; E95-K99 PolarHBondContact O-N 2.66Å
96	S	96.7	Very high	97.9	Very high	109 Å²	109	47.6 Å²	47.6	76%	0.762	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-55.9	-34.8	178.8	-55.6	0	0	0	0	113.2	Q98 K99	S96-Q98 PolarHBondContact O-N 3.33Å; S96-K99 PolarHBondContact O-N 3.41Å
97	S	97	Very high	97.9	Very high	73 Å²	73	47.6 Å²	47.6	51%	0.51	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-65.5	-19.1	178.2	67.1	0	0	0	0	113.3	E95 Y100	E95-S97 PolarHBondContact O-N 2.92Å; E95-S97 VanDerWaalsContact O-N 3.17Å; S97-Y100 WeakPolarHBondContact O-CD1 3.47Å; S97-Y100 WeakPolarHBondContact O-CE1 3.47Å
98	Q	97.8	Very high	97.9	Very high	26 Å²	26	47.9 Å²	47.9	12%	0.121	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-104.7	-3.2	-176.8	-55.5	-51.6	-52	0	0	113.2	T69 A93 E95 S96 Y100 K101	T69-Q98 PolarHBondContact OG1-OE1 3.08Å; A93-Q98 HydrophobicContact CB-CB 3.79Å; E95-Q98 HydrophobicContact CB-CB 4.45Å; E95-Q98 HydrophobicContact CB-CG 4.04Å; E95-Q98 PolarHBondContact O-N 2.98Å; S96-Q98 PolarHBondContact O-N 3.33Å; Q98-Y100 PolarHBondContact O-N 3.37Å; Q98-Y100 VanDerWaalsContact O-N 3.1Å; Q98-K101 WeakPolarHBondContact O-CB 3.47Å; Q98-K101 PolarHBondContact O-N 2.85Å
99	K	97.6	Very high	97.9	Very high	72 Å²	72	48.4 Å²	48.4	31%	0.313	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-57.2	-27.7	-177.6	-72.2	-63.9	-167	-171.1	0	114.4	H92 A93 E95 S96 K101 E102	H92-K99 PolarHBondContact CE1-NZ 2.83Å; H92-K99 PolarHBondContact NE2-NZ 2.8Å; A93-K99 HydrophobicContact CB-CD 4.5Å; A93-K99 WeakPolarHBondContact O-CD 3.41Å; A93-K99 WeakPolarHBondContact O-CE 3.29Å; A93-K99 PolarHBondContact O-NZ 2.79Å; E95-K99 PolarHBondContact O-N 2.66Å; S96-K99 PolarHBondContact O-N 3.41Å; K99-K101 PolarHBondContact O-N 3.15Å; K99-E102 VanDerWaalsContact CD-CD 3.42Å; K99-E102 HydrophobicContact CD-CG 4.31Å; K99-E102 WeakPolarHBondContact CD-OE1 3.46Å; K99-E102 WeakPolarHBondContact CE-OE1 3.31Å; K99-E102 IonicContact NZ-OE1 2.67Å; K99-E102 PolarHBondContact NZ-OE1 3.37Å; K99-E102 IonicContact NZ-OE2 3.84Å; K99-E102 WeakPolarHBondContact O-CB 3.45Å; K99-E102 PolarHBondContact O-N 3.08Å
100	Y	97.4	Very high	97.8	Very high	128 Å²	128	48.7 Å²	48.7	50%	0.502	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-60.4	-18.6	176.6	76.5	-90.1	0	0	0	113.7	L50 S97 Q98	L50-Y100 HydrophobicContact CD2-CE2 4.29Å; S97-Y100 WeakPolarHBondContact O-CD1 3.47Å; S97-Y100 WeakPolarHBondContact O-CE1 3.47Å; Q98-Y100 PolarHBondContact O-N 3.37Å; Q98-Y100 VanDerWaalsContact O-N 3.1Å
101	K	98.1	Very high	97.8	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.022	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-80.8	-21.4	177.5	-61.7	177	179.2	172.6	0	112.8	F41 T69 Y90 Q98 K99 G103 K104	F41-K101 HydrophobicContact CE1-CD 4.32Å; T69-K101 PolarHBondContact OG1-NZ 2.76Å; Y90-K101 WeakPolarHBondContact CB-O 3.36Å; Y90-K101 HydrophobicContact CD1-CB 4.21Å; Y90-K101 HydrophobicContact CD1-CD 4.47Å; Y90-K101 HydrophobicContact CD2-CB 3.77Å; Y90-K101 HydrophobicContact CE1-CD 4.03Å; Y90-K101 HydrophobicContact CE2-CB 4.12Å; Y90-K101 HydrophobicContact CE2-CD 4.06Å; Y90-K101 HydrophobicContact CE2-CG 4.4Å; Y90-K101 HydrophobicContact CG-CB 3.81Å; Q98-K101 WeakPolarHBondContact O-CB 3.47Å; Q98-K101 PolarHBondContact O-N 2.85Å; K99-K101 PolarHBondContact O-N 3.15Å; K101-G103 PolarHBondContact O-N 3.36Å; K101-K104 WeakPolarHBondContact O-CB 3.26Å; K101-K104 WeakPolarHBondContact O-CG 3.23Å; K101-K104 PolarHBondContact O-N 3.22Å
102	E	98.4	Very high	97.7	Very high	60 Å²	60	46.7 Å²	46.7	28%	0.28	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	134.8	-176.6	-65.5	-175.3	165.4	0	0	111.3	H92 A93 K99 K104	H92-E102 WeakPolarHBondContact CA-OE1 3.37Å; H92-E102 IonicContact CE1-OE1 3.55Å; H92-E102 IonicContact CG-OE1 2.78Å; H92-E102 IonicContact ND1-OE1 3.58Å; H92-E102 PolarHBondContact ND1-OE1 2.78Å; A93-E102 HydrophobicContact CB-CG 4.19Å; A93-E102 PolarHBondContact N-OE1 3.09Å; K99-E102 VanDerWaalsContact CD-CD 3.42Å; K99-E102 HydrophobicContact CD-CG 4.31Å; K99-E102 WeakPolarHBondContact CD-OE1 3.46Å; K99-E102 WeakPolarHBondContact CE-OE1 3.31Å; K99-E102 IonicContact NZ-OE1 2.67Å; K99-E102 PolarHBondContact NZ-OE1 3.37Å; K99-E102 IonicContact NZ-OE2 3.84Å; K99-E102 WeakPolarHBondContact O-CB 3.45Å; K99-E102 PolarHBondContact O-N 3.08Å; E102-K104 PolarHBondContact O-N 2.82Å
103	G	98.3	Very high	97.5	Very high	33 Å²	33	45.2 Å²	45.2	34%	0.34	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	-5.5	-174	0	0	0	0	0	115.2	Y90 K101 F105	Y90-G103 PolarHBondContact O-N 2.81Å; K101-G103 PolarHBondContact O-N 3.36Å; G103-F105 VanDerWaalsContact O-CE2 3.28Å; G103-F105 WeakPolarHBondContact O-CE2 3.49Å
104	K	98.6	Very high	97.3	Very high	49 Å²	49	49.3 Å²	49.3	21%	0.213	26%	0.26	C	S	.	.			trans	-91	160	-178.4	-48.1	-55.5	176.9	-169.4	0	111.8	I37 L50 F51 N52 K89 Y90 K101 E102	I37-K104 HydrophobicContact CD1-CD 3.65Å; I37-K104 HydrophobicContact CD1-CG 4.07Å; L50-K104 HydrophobicContact CD1-CB 3.63Å; L50-K104 HydrophobicContact CG-CB 4.15Å; F51-K104 WeakPolarHBondContact O-CA 3.19Å; F51-K104 WeakPolarHBondContact O-CB 3.26Å; N52-K104 PolarHBondContact OD1-NZ 3.17Å; K89-K104 WeakPolarHBondContact CA-O 3.21Å; Y90-K104 PolarHBondContact N-O 2.74Å; K101-K104 WeakPolarHBondContact O-CB 3.26Å; K101-K104 WeakPolarHBondContact O-CG 3.23Å; K101-K104 PolarHBondContact O-N 3.22Å; E102-K104 PolarHBondContact O-N 2.82Å
105	F	98.7	Very high	96.9	Very high	29 Å²	29	49.1 Å²	49.1	13%	0.127	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.6	-171.6	-60.6	-95.3	0	0	0	111.3	L50 F51 V54 I77 K89 G103	L50-F105 CarbonylContact C-O 3.46Å; L50-F105 WeakPolarHBondContact CA-O 3.32Å; F51-F105 HydrophobicContact CB-CB 4.44Å; F51-F105 PolarHBondContact N-O 2.88Å; F51-F105 PolarHBondContact O-N 3.06Å; V54-F105 HydrophobicContact CB-CG 4.41Å; V54-F105 HydrophobicContact CG1-CB 3.7Å; V54-F105 HydrophobicContact CG1-CD1 4.38Å; V54-F105 HydrophobicContact CG1-CD2 4.15Å; V54-F105 HydrophobicContact CG1-CG 3.83Å; V54-F105 HydrophobicContact CG2-CB 4.36Å; V54-F105 HydrophobicContact CG2-CD1 3.46Å; V54-F105 VanDerWaalsContact CG2-CD1 3.46Å; V54-F105 HydrophobicContact CG2-CD2 3.99Å; V54-F105 HydrophobicContact CG2-CE1 3.58Å; V54-F105 HydrophobicContact CG2-CE2 4.12Å; V54-F105 HydrophobicContact CG2-CG 3.67Å; V54-F105 HydrophobicContact CG2-CZ 3.92Å; I77-F105 HydrophobicContact CD1-CD1 4.45Å; I77-F105 HydrophobicContact CG2-CD1 4.25Å; K89-F105 HydrophobicContact CB-CD1 3.81Å; K89-F105 HydrophobicContact CB-CE1 3.9Å; K89-F105 HydrophobicContact CD-CD1 4.26Å; K89-F105 HydrophobicContact CD-CE1 3.54Å; K89-F105 HydrophobicContact CD-CZ 3.68Å; K89-F105 HydrophobicContact CG-CD1 3.91Å; K89-F105 HydrophobicContact CG-CE1 3.72Å; K89-F105 HydrophobicContact CG-CG 4.45Å; K89-F105 HydrophobicContact CG-CZ 4.06Å; G103-F105 VanDerWaalsContact O-CE2 3.28Å; G103-F105 WeakPolarHBondContact O-CE2 3.49Å
106	I	98.4	Very high	96.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.9	167.9	-66.8	-69.7	0	0	0	108.5	F41 A48 Y49 L50 G87 W88 Y90	F41-I106 HydrophobicContact CB-CD1 3.83Å; F41-I106 HydrophobicContact CD1-CD1 3.46Å; F41-I106 VanDerWaalsContact CD1-CD1 3.46Å; F41-I106 HydrophobicContact CD2-CD1 4.45Å; F41-I106 HydrophobicContact CE1-CD1 4.09Å; F41-I106 HydrophobicContact CG-CD1 3.67Å; A48-I106 HydrophobicContact CB-CG2 3.55Å; Y49-I106 WeakPolarHBondContact O-CA 3.15Å; L50-I106 HydrophobicContact CB-CD1 4.02Å; L50-I106 HydrophobicContact CD1-CD1 3.61Å; L50-I106 HydrophobicContact CD1-CG1 4.12Å; L50-I106 HydrophobicContact CG-CD1 4.46Å; G87-I106 WeakPolarHBondContact CA-O 3.37Å; W88-I106 HydrophobicContact CD2-CB 3.94Å; W88-I106 HydrophobicContact CD2-CG1 4.41Å; W88-I106 HydrophobicContact CD2-CG2 4.12Å; W88-I106 HydrophobicContact CE3-CB 4.32Å; W88-I106 HydrophobicContact CE3-CG2 4.02Å; W88-I106 HydrophobicContact CG-CB 4.4Å; W88-I106 HydrophobicContact CH2-CB 4.3Å; W88-I106 HydrophobicContact CH2-CG2 3.57Å; W88-I106 HydrophobicContact CZ2-CB 3.93Å; W88-I106 HydrophobicContact CZ2-CG1 3.79Å; W88-I106 HydrophobicContact CZ2-CG2 3.67Å; W88-I106 HydrophobicContact CZ3-CB 4.48Å; W88-I106 HydrophobicContact CZ3-CG2 3.75Å; W88-I106 PolarHBondContact N-O 3.05Å; W88-I106 VanDerWaalsContact N-O 3.14Å; W88-I106 PolarHBondContact O-N 2.76Å; Y90-I106 HydrophobicContact CD2-CG1 4.36Å; Y90-I106 HydrophobicContact CE2-CD1 4.16Å; Y90-I106 HydrophobicContact CE2-CG1 3.56Å
107	I	98.3	Very high	94.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.5	168.5	-61	174.5	0	0	0	108.7	L30 A48 Y49 F51 V54 I77 L86 M112	L30-I107 HydrophobicContact CB-CD1 4.09Å; L30-I107 HydrophobicContact CD1-CD1 4.48Å; A48-I107 WeakPolarHBondContact CA-O 3.5Å; Y49-I107 PolarHBondContact N-O 2.93Å; Y49-I107 PolarHBondContact O-N 3.25Å; Y49-I107 VanDerWaalsContact O-N 3.08Å; F51-I107 HydrophobicContact CD2-CB 4.43Å; F51-I107 HydrophobicContact CD2-CD1 4.24Å; F51-I107 HydrophobicContact CD2-CG1 4.37Å; F51-I107 HydrophobicContact CE2-CB 4.18Å; F51-I107 HydrophobicContact CE2-CD1 4.32Å; V54-I107 HydrophobicContact CG1-CD1 3.86Å; I77-I107 HydrophobicContact CD1-CG1 3.85Å; L86-I107 HydrophobicContact CB-CG2 4.4Å; L86-I107 WeakPolarHBondContact O-CA 3.38Å; I107-M112 HydrophobicContact CB-SD 4.24Å; I107-M112 HydrophobicContact CG2-CB 3.93Å; I107-M112 HydrophobicContact CG2-CG 4.3Å; I107-M112 HydrophobicContact CG2-SD 3.71Å
108	E	98.1	Very high	93.4	Very high	9 Å²	9	51.3 Å²	51.3	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.4	177.2	-61.9	-168.5	96.1	0	0	111.1	G43 S44 Q45 A48 L86 A110 H111	G43-E108 WeakPolarHBondContact CA-OE1 3.41Å; S44-E108 PolarHBondContact N-OE1 3.47Å; Q45-E108 PolarHBondContact N-OE1 3.42Å; A48-E108 HydrophobicContact CB-CG 4.07Å; L86-E108 PolarHBondContact O-N 3.48Å; E108-A110 PolarHBondContact O-N 3.23Å; E108-H111 PolarHBondContact O-N 3.49Å; E108-H111 VanDerWaalsContact O-N 3.07Å
109	L	97.4	Very high	91.5	Very high	39 Å²	39	62.8 Å²	62.8	20%	0.204	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-64.5	-24.6	-177.8	-90.7	62.2	0	0	0	112.4	R47 Y49 H111 M112	R47-L109 HydrophobicContact CB-CD1 4.5Å; R47-L109 HydrophobicContact CB-CD2 4.09Å; R47-L109 PolarHBondContact O-N 2.76Å; Y49-L109 HydrophobicContact CD1-CD1 3.57Å; Y49-L109 HydrophobicContact CD2-CD1 3.99Å; Y49-L109 HydrophobicContact CE1-CD1 3.63Å; Y49-L109 HydrophobicContact CE1-CD2 4.06Å; Y49-L109 HydrophobicContact CE1-CG 4.43Å; Y49-L109 HydrophobicContact CE2-CD1 4.02Å; Y49-L109 HydrophobicContact CG-CD1 3.76Å; L109-H111 PolarHBondContact O-N 3.35Å; L109-H111 VanDerWaalsContact O-N 3.17Å; L109-M112 HydrophobicContact CD1-CE 4.06Å; L109-M112 HydrophobicContact CG-CE 4.41Å; L109-M112 PolarHBondContact O-N 2.99Å; L109-M112 VanDerWaalsContact O-O 3.13Å
110	A	97.4	Very high	91.2	Very high	45 Å²	45	62.4 Å²	62.4	37%	0.372	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-58.5	-25.5	175.2	0	0	0	0	0	112.8	Q45 E108	Q45-A110 HydrophobicContact CB-CB 4.07Å; E108-A110 PolarHBondContact O-N 3.23Å
111	H	97.3	Very high	90.9	Very high	22 Å²	22	58.9 Å²	58.9	10%	0.102	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-110	6.4	-176.1	-59.2	-52.7	0	0	0	113.9	I24 H25 Q45 T85 L86 E108 L109	I24-H111 PolarHBondContact N-O 2.87Å; H25-H111 AromaticContact NE2-ND1 3.55Å; Q45-H111 PolarHBondContact OE1-CE1 3.36Å; Q45-H111 PolarHBondContact OE1-NE2 2.88Å; Q45-H111 VanDerWaalsContact OE1-NE2 3.11Å; T85-H111 PolarHBondContact O-CD2 3.41Å; T85-H111 PolarHBondContact O-NE2 3.37Å; L86-H111 HydrophobicContact CD2-CB 3.73Å; E108-H111 PolarHBondContact O-N 3.49Å; E108-H111 VanDerWaalsContact O-N 3.07Å; L109-H111 PolarHBondContact O-N 3.35Å; L109-H111 VanDerWaalsContact O-N 3.17Å
112	M	96.1	Very high	90.5	Very high	16 Å²	16	61.9 Å²	61.9	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130.3	-169.1	-172.2	177.9	69	0	0	111.8	Y21 S22 Y49 F51 I107 L109	Y21-M112 WeakPolarHBondContact CB-SD 3.31Å; Y21-M112 HydrophobicContact CD1-CE 3.5Å; Y21-M112 HydrophobicContact CD1-CG 4.01Å; Y21-M112 HydrophobicContact CD1-SD 3.57Å; Y21-M112 VanDerWaalsContact CD1-SD 3.57Å; Y21-M112 HydrophobicContact CE1-CE 3.88Å; Y21-M112 HydrophobicContact CE1-SD 4.46Å; Y21-M112 HydrophobicContact CG-CE 4.15Å; Y21-M112 HydrophobicContact CG-CG 4.3Å; Y21-M112 HydrophobicContact CG-SD 3.66Å; S22-M112 CarbonylContact O-C 3.5Å; S22-M112 WeakPolarHBondContact O-CA 3.31Å; Y49-M112 HydrophobicContact CD2-CE 3.76Å; Y49-M112 HydrophobicContact CE2-CE 4.26Å; Y49-M112 HydrophobicContact CG-CE 4.44Å; F51-M112 HydrophobicContact CE2-CE 4.35Å; F51-M112 HydrophobicContact CE2-SD 4.11Å; F51-M112 HydrophobicContact CZ-CE 4.23Å; F51-M112 HydrophobicContact CZ-SD 4.04Å; I107-M112 HydrophobicContact CB-SD 4.24Å; I107-M112 HydrophobicContact CG2-CB 3.93Å; I107-M112 HydrophobicContact CG2-CG 4.3Å; I107-M112 HydrophobicContact CG2-SD 3.71Å; L109-M112 HydrophobicContact CD1-CE 4.06Å; L109-M112 HydrophobicContact CG-CE 4.41Å; L109-M112 PolarHBondContact O-N 2.99Å; L109-M112 VanDerWaalsContact O-O 3.13Å
113	I	95.5	Very high	90	Very high	46 Å²	46	62 Å²	62	24%	0.236	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	149.8	168.5	57.4	169.2	0	0	0	109.6	Y21 S22 I24 R27	Y21-I113 CarbonylContact C-O 3.5Å; Y21-I113 VanDerWaalsContact CA-O 3.32Å; Y21-I113 WeakPolarHBondContact CA-O 3.02Å; S22-I113 PolarHBondContact N-O 2.87Å; S22-I113 VanDerWaalsContact O-CG1 3.31Å; S22-I113 WeakPolarHBondContact O-CG1 3.37Å; S22-I113 PolarHBondContact O-N 2.91Å; I24-I113 HydrophobicContact CB-CG2 3.93Å; I24-I113 HydrophobicContact CD1-CG2 3.99Å; I24-I113 HydrophobicContact CG1-CG2 3.67Å; R27-I113 VanDerWaalsContact CD-CD1 3.47Å
114	K	92.8	Very high	89.5	Confident	87 Å²	87	63.8 Å²	63.8	38%	0.378	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.5	177.6	-177.1	-168.4	-175.8	-144.7	0	108.6	R19 Y21 N116	R19-K114 HydrophobicContact CG-CG 4.21Å; R19-K114 VanDerWaalsContact CZ-NZ 3.33Å; Y21-K114 HydrophobicContact CD1-CB 4.03Å; Y21-K114 HydrophobicContact CD1-CG 4.14Å; Y21-K114 HydrophobicContact CE1-CB 3.94Å; Y21-K114 HydrophobicContact CE1-CD 4.17Å; Y21-K114 HydrophobicContact CE1-CG 3.72Å; K114-N116 WeakPolarHBondContact CD-OD1 3.48Å; K114-N116 WeakPolarHBondContact CE-OD1 3.22Å; K114-N116 PolarHBondContact NZ-OD1 3.3Å
115	D	87.6	Confident	88.9	Confident	93 Å²	93	64.8 Å²	64.8	50%	0.497	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.7	166.8	-164.4	-25.1	0	0	0	108.4	R19 T20 G117	R19-D115 CarbonylContact C-O 3.41Å; R19-D115 VanDerWaalsContact CA-O 3.31Å; R19-D115 WeakPolarHBondContact CA-O 3.36Å; R19-D115 VanDerWaalsContact CG-O 3.31Å; R19-D115 WeakPolarHBondContact CG-O 3.29Å; T20-D115 PolarHBondContact N-O 2.91Å; T20-D115 PolarHBondContact O-N 3.08Å; D115-G117 PolarHBondContact OD1-N 3.48Å
116	N	81.6	Confident	88.2	Confident	60 Å²	60	67.4 Å²	67.4	32%	0.321	34%	0.338	S	S	.	.			trans	-88.7	-7.1	-178.7	-62.3	-54	0	0	0	113.3	K114 W118	K114-N116 WeakPolarHBondContact CD-OD1 3.48Å; K114-N116 WeakPolarHBondContact CE-OD1 3.22Å; K114-N116 PolarHBondContact NZ-OD1 3.3Å; N116-W118 HydrophobicContact CB-CG 4.3Å; N116-W118 VanDerWaalsContact O-CD1 3.31Å
117	G	70.3	Confident	87.4	Confident	41 Å²	41	72.5 Å²	72.5	42%	0.423	36%	0.364	S	S	.	.			trans	64.9	42.8	179.2	0	0	0	0	0	113.5	D115 E119	D115-G117 PolarHBondContact OD1-N 3.48Å; G117-E119 PolarHBondContact O-N 3.43Å
118	W	67.1	Low	86.5	Confident	218 Å²	218	78.6 Å²	78.6	83%	0.826	39%	0.394	S	S	*	.			trans	-87.6	103.2	178.6	-62.1	21.5	0	0	0	106.6	N116	N116-W118 HydrophobicContact CB-CG 4.3Å; N116-W118 VanDerWaalsContact O-CD1 3.31Å
119	E	56.8	Low	85.4	Confident	267 Å²	267	84.9 Å²	84.9	100%	1.248	43%	0.426	S	S	*	.			trans	-82.6	0	162.7	-68.8	-167.7	135.9	0	0	110.6	G117	G117-E119 PolarHBondContact O-N 3.43Å

Retrieved 119 of 119 residues in 214.9 ms (Link to these results)

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