A0A093HXL7_STRCA Loading...

CB1 cannabinoid receptor-interacting protein 1

Suppresses cannabinoid receptor CNR1-mediated tonic inhibition of voltage-gated calcium channels.

AlphaFold DB , UniProt , Accession A0A093HXL7, Species STRCA (Struthio camelus australis), Gene n/a, Length 162 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.3	Very low	83.2	Confident	225 Å²	225	78.5 Å²	78.5	100%	1.108	44%	0.439	S	S	*	.				0	112	0	-98.3	172.9	172.2	0	0	106.5
2	G	59.7	Low	84.5	Confident	70 Å²	70	72 Å²	72	72%	0.722	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-71.5	154.7	179.2	0	0	0	0	0	111.3	I4	G2-I4 PolarHBondContact O-N 3.23Å
3	D	71.6	Confident	85.5	Confident	165 Å²	165	67.7 Å²	67.7	88%	0.882	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-58.4	130	175.9	-75.9	-39	0	0	0	110.7
4	I	74.5	Confident	86.4	Confident	49 Å²	49	63.1 Å²	63.1	25%	0.251	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-80.6	130.5	178.4	-71.5	176	0	0	0	109	G2 N6 I112 P147 R151	G2-I4 PolarHBondContact O-N 3.23Å; I4-N6 PolarHBondContact O-N 3.5Å; I4-I112 HydrophobicContact CG2-CG2 3.94Å; I4-P147 HydrophobicContact CG2-CG 4.33Å; I4-R151 VanDerWaalsContact CD1-CD 3.43Å; I4-R151 HydrophobicContact CD1-CG 4.2Å; I4-R151 VanDerWaalsContact CD1-NH1 3.31Å
5	P	86	Confident	87.2	Confident	23 Å²	23	63.1 Å²	63.1	15%	0.149	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-66	122.7	176.4	25.4	-32	0	0	0	110.6	L7 V8 P54 V57 P147	P5-L7 PolarHBondContact O-N 2.93Å; P5-V8 HydrophobicContact CB-CG2 4.31Å; P5-V8 HydrophobicContact CG-CG2 3.9Å; P5-P54 HydrophobicContact CB-CG 3.63Å; P5-P54 HydrophobicContact CG-CG 4.08Å; P5-V57 HydrophobicContact CG-CG2 3.85Å; P5-P147 WeakPolarHBondContact O-CD 3.34Å
6	N	88.6	Confident	87.8	Confident	142 Å²	142	61.8 Å²	61.8	76%	0.759	34%	0.341	S	S	*	.	S	Bend	trans	-66.9	-11.9	171.8	-70.6	-30.7	0	0	0	113.1	I4 K146	I4-N6 PolarHBondContact O-N 3.5Å; N6-K146 VanDerWaalsContact O-CG 3.28Å; N6-K146 WeakPolarHBondContact O-CG 3.2Å
7	L	94.6	Very high	88.4	Confident	71 Å²	71	61.5 Å²	61.5	37%	0.372	34%	0.336	S	S	.	.			trans	-147.2	129.4	178.5	-175.7	71.5	0	0	0	109.2	P5 E144 C145 K146	P5-L7 PolarHBondContact O-N 2.93Å; L7-E144 HydrophobicContact CD1-CB 4.24Å; L7-C145 WeakPolarHBondContact CA-O 3.45Å; L7-K146 HydrophobicContact CD1-CG 4.37Å
8	V	96.4	Very high	88.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126	174.3	-178.4	0	0	0	0	108.2	P5 I10 R53 V57 I112 C145 P147	P5-V8 HydrophobicContact CB-CG2 4.31Å; P5-V8 HydrophobicContact CG-CG2 3.9Å; V8-I10 HydrophobicContact CG1-CG1 4Å; V8-R53 CarbonylContact C-O 3.57Å; V8-R53 VanDerWaalsContact CA-O 3.3Å; V8-R53 WeakPolarHBondContact CA-O 3.31Å; V8-V57 HydrophobicContact CG1-CG1 4.48Å; V8-V57 HydrophobicContact CG1-CG2 4.36Å; V8-V57 HydrophobicContact CG2-CG2 4.21Å; V8-I112 HydrophobicContact CG2-CD1 3.79Å; V8-C145 HydrophobicContact CB-CB 4.49Å; V8-C145 PolarHBondContact N-O 2.92Å; V8-C145 PolarHBondContact O-N 3.13Å; V8-P147 HydrophobicContact CG2-CG 4.3Å
9	K	97.9	Very high	89	Confident	90 Å²	90	68.4 Å²	68.4	39%	0.391	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.6	169.9	-55.4	-164.7	-178.2	-152.1	0	109.3	L52 R53 Y143 E144	K9-L52 CarbonylContact O-C 3.53Å; K9-L52 WeakPolarHBondContact O-CA 3.24Å; K9-R53 HydrophobicContact CB-CB 4.23Å; K9-R53 PolarHBondContact N-O 3.07Å; K9-R53 PolarHBondContact O-N 3.36Å; K9-Y143 CarbonylContact C-O 3.44Å; K9-Y143 VanDerWaalsContact CA-O 3.3Å; K9-Y143 WeakPolarHBondContact CA-O 3.37Å; K9-E144 HydrophobicContact CD-CG 4.46Å; K9-E144 VanDerWaalsContact CE-OE1 3.27Å; K9-E144 WeakPolarHBondContact CE-OE1 3.3Å; K9-E144 HydrophobicContact CG-CG 4.34Å; K9-E144 IonicContact NZ-OE1 3.28Å; K9-E144 PolarHBondContact NZ-OE1 2.91Å
10	I	98.3	Very high	89.4	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.01	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.8	179.1	-51.8	173.5	0	0	0	106.8	V8 V12 V50 L52 M107 F109 F115 E142 Y143 M154	V8-I10 HydrophobicContact CG1-CG1 4Å; I10-V12 HydrophobicContact CG2-CG2 3.97Å; I10-V50 HydrophobicContact CG2-CG1 4.41Å; I10-L52 HydrophobicContact CB-CD2 4.16Å; I10-L52 HydrophobicContact CG1-CD2 3.96Å; I10-L52 HydrophobicContact CG2-CD2 3.79Å; I10-M107 HydrophobicContact CG2-CE 4.33Å; I10-F109 HydrophobicContact CD1-CE2 4.42Å; I10-F109 HydrophobicContact CD1-CZ 3.81Å; I10-F109 HydrophobicContact CG1-CZ 4.39Å; I10-F115 HydrophobicContact CD1-CB 4.04Å; I10-F115 HydrophobicContact CD1-CD1 4.3Å; I10-F115 HydrophobicContact CD1-CD2 3.57Å; I10-F115 HydrophobicContact CD1-CE2 4.04Å; I10-F115 HydrophobicContact CD1-CG 3.71Å; I10-E142 CarbonylContact O-C 3.49Å; I10-E142 VanDerWaalsContact O-CA 3.29Å; I10-E142 WeakPolarHBondContact O-CA 3.45Å; I10-Y143 HydrophobicContact CB-CD2 4.34Å; I10-Y143 HydrophobicContact CG2-CD2 4.48Å; I10-Y143 PolarHBondContact N-O 3.15Å; I10-Y143 PolarHBondContact O-N 3.06Å; I10-M154 HydrophobicContact CD1-SD 4.48Å
11	S	98.4	Very high	89.7	Confident	26 Å²	26	66.4 Å²	66.4	18%	0.182	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.8	171.9	-169.3	0	0	0	0	108.5	V50 A51 I141	S11-V50 CarbonylContact O-C 3.57Å; S11-V50 VanDerWaalsContact O-CA 3.29Å; S11-V50 WeakPolarHBondContact O-CA 3.31Å; S11-A51 PolarHBondContact N-O 3.2Å; S11-A51 PolarHBondContact O-N 3.11Å; S11-I141 WeakPolarHBondContact CA-O 3.25Å
12	V	98.4	Very high	91.9	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.9	179	-173.1	0	0	0	0	109.7	I10 I48 E49 V50 M62 W119 S140 I141	I10-V12 HydrophobicContact CG2-CG2 3.97Å; V12-I48 HydrophobicContact CG1-CG2 3.75Å; V12-E49 WeakPolarHBondContact CA-O 3.36Å; V12-V50 HydrophobicContact CG2-CG2 4.48Å; V12-M62 HydrophobicContact CG1-CE 4.05Å; V12-M62 HydrophobicContact CG1-SD 4.34Å; V12-M62 HydrophobicContact CG2-CE 4.23Å; V12-W119 HydrophobicContact CB-CZ2 4.39Å; V12-W119 HydrophobicContact CG1-CH2 3.85Å; V12-W119 HydrophobicContact CG1-CZ2 4.11Å; V12-S140 CarbonylContact O-C 3.52Å; V12-S140 WeakPolarHBondContact O-CA 3.28Å; V12-S140 WeakPolarHBondContact O-CB 3.49Å; V12-I141 PolarHBondContact N-O 3.42Å; V12-I141 PolarHBondContact O-N 2.87Å
13	S	98.2	Very high	93.7	Very high	16 Å²	16	54.7 Å²	54.7	11%	0.112	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	158.9	172.4	74.7	0	0	0	0	111.3	I48 E49 G139	S13-I48 WeakPolarHBondContact O-CA 3.3Å; S13-E49 PolarHBondContact N-O 3.27Å; S13-E49 PolarHBondContact O-N 2.85Å; S13-E49 VanDerWaalsContact O-N 3.14Å; S13-E49 VanDerWaalsContact OG-CB 3.29Å; S13-E49 WeakPolarHBondContact OG-CB 3.12Å; S13-E49 PolarHBondContact OG-O 2.94Å; S13-E49 PolarHBondContact OG-OE2 2.86Å; S13-G139 WeakPolarHBondContact CB-O 3.38Å
14	L	98.1	Very high	94.9	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.2	178.6	-62.6	172.6	0	0	0	110	V23 I38 L40 K47 I48 W119 F138	L14-V23 HydrophobicContact CB-CB 4.1Å; L14-V23 HydrophobicContact CB-CG1 4.32Å; L14-V23 HydrophobicContact CB-CG2 3.72Å; L14-V23 HydrophobicContact CD1-CG1 4.42Å; L14-V23 WeakPolarHBondContact O-CG2 3.48Å; L14-I38 HydrophobicContact CD1-CG2 4.17Å; L14-L40 HydrophobicContact CD1-CD2 4.29Å; L14-K47 WeakPolarHBondContact CA-O 3.3Å; L14-I48 HydrophobicContact CD2-CB 4.39Å; L14-I48 HydrophobicContact CD2-CD1 4.49Å; L14-I48 HydrophobicContact CD2-CG1 3.65Å; L14-I48 HydrophobicContact CD2-CG2 4.47Å; L14-W119 HydrophobicContact CD1-CZ3 4.15Å; L14-F138 HydrophobicContact CB-CD1 4.11Å; L14-F138 HydrophobicContact CB-CE1 3.94Å; L14-F138 HydrophobicContact CD1-CD1 4.46Å; L14-F138 HydrophobicContact CD1-CE1 3.89Å; L14-F138 HydrophobicContact CD1-CZ 4.23Å; L14-F138 HydrophobicContact CG-CD1 4.42Å; L14-F138 HydrophobicContact CG-CE1 3.79Å; L14-F138 HydrophobicContact CG-CZ 4.49Å
15	K	97.9	Very high	95.9	Very high	64 Å²	64	47.5 Å²	47.5	28%	0.278	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.4	174.3	-62.6	176.4	-176.3	157.5	0	110.5	Q17 D20 G21 Y46 K47 E49	K15-Q17 PolarHBondContact O-N 3.19Å; K15-D20 HydrophobicContact CB-CB 4.41Å; K15-D20 HydrophobicContact CD-CB 4.07Å; K15-G21 CarbonylContact C-O 3.6Å; K15-G21 WeakPolarHBondContact CA-O 3.47Å; K15-Y46 CarbonylContact O-C 3.6Å; K15-Y46 WeakPolarHBondContact O-CA 3.42Å; K15-K47 PolarHBondContact N-O 2.97Å; K15-K47 PolarHBondContact O-N 3.09Å; K15-E49 WeakPolarHBondContact CE-OE2 3.27Å; K15-E49 IonicContact NZ-OE1 3.07Å; K15-E49 PolarHBondContact NZ-OE1 2.82Å; K15-E49 IonicContact NZ-OE2 2.93Å; K15-E49 PolarHBondContact NZ-OE2 2.81Å
16	I	97.3	Very high	96.3	Very high	41 Å²	41	50.9 Å²	50.9	21%	0.21	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.4	178.3	-169.9	168.4	0	0	0	110.6	D20 G21 L41 A44 Y46	I16-D20 CarbonylContact O-C 3.53Å; I16-D20 WeakPolarHBondContact O-CA 3.4Å; I16-D20 PolarHBondContact O-N 3.01Å; I16-D20 VanDerWaalsContact O-N 3.13Å; I16-G21 PolarHBondContact N-O 3.08Å; I16-G21 PolarHBondContact O-N 3.38Å; I16-L41 HydrophobicContact CD1-CD1 3.8Å; I16-A44 HydrophobicContact CD1-CB 4.15Å; I16-A44 HydrophobicContact CG1-CB 4.49Å; I16-Y46 HydrophobicContact CB-CD1 4.12Å; I16-Y46 HydrophobicContact CB-CE1 3.75Å; I16-Y46 HydrophobicContact CD1-CE1 4.23Å; I16-Y46 HydrophobicContact CG1-CD1 4.49Å; I16-Y46 HydrophobicContact CG1-CE1 3.96Å
17	Q	97.6	Very high	96.5	Very high	57 Å²	57	47.7 Å²	47.7	27%	0.266	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	154.3	177.5	-66.7	-57.2	-70.7	0	0	111.5	K15 D20 K45 K47 I86	K15-Q17 PolarHBondContact O-N 3.19Å; Q17-D20 PolarHBondContact NE2-OD1 2.84Å; Q17-K45 HydrophobicContact CB-CB 4.02Å; Q17-K45 WeakPolarHBondContact CB-O 3.43Å; Q17-K45 HydrophobicContact CG-CB 4.36Å; Q17-K45 PolarHBondContact N-O 3.17Å; Q17-K47 HydrophobicContact CG-CB 4.18Å; Q17-K47 VanDerWaalsContact NE2-CB 3.31Å; Q17-I86 HydrophobicContact CG-CD1 4.47Å
18	P	95.1	Very high	96.2	Very high	109 Å²	109	45.3 Å²	45.3	71%	0.708	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.2	-8.4	5.1	34	-35.2	0	0	0	115	D20	P18-D20 PolarHBondContact O-N 3.47Å
19	N	93.6	Very high	95.7	Very high	146 Å²	146	46.6 Å²	46.6	78%	0.781	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	11.7	-166.2	-61.3	-29.4	0	0	0	114.4	G21	N19-G21 PolarHBondContact O-N 3.21Å
20	D	96	Very high	95.2	Very high	70 Å²	70	50.3 Å²	50.3	37%	0.374	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	36.3	-173	-79.8	-10.7	0	0	0	113.3	K15 I16 Q17 P18 K47	K15-D20 HydrophobicContact CB-CB 4.41Å; K15-D20 HydrophobicContact CD-CB 4.07Å; I16-D20 CarbonylContact O-C 3.53Å; I16-D20 WeakPolarHBondContact O-CA 3.4Å; I16-D20 PolarHBondContact O-N 3.01Å; I16-D20 VanDerWaalsContact O-N 3.13Å; Q17-D20 PolarHBondContact NE2-OD1 2.84Å; P18-D20 PolarHBondContact O-N 3.47Å; D20-K47 WeakPolarHBondContact OD1-CE 3.33Å; D20-K47 IonicContact OD1-NZ 3.32Å; D20-K47 PolarHBondContact OD1-NZ 2.72Å; D20-K47 VanDerWaalsContact OD1-NZ 3.07Å; D20-K47 IonicContact OD2-NZ 3.26Å; D20-K47 PolarHBondContact OD2-NZ 2.83Å
21	G	95.4	Very high	94.6	Very high	24 Å²	24	58.1 Å²	58.1	25%	0.247	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	158	-177.3	0	0	0	0	0	112.8	K15 I16 N19	K15-G21 CarbonylContact C-O 3.6Å; K15-G21 WeakPolarHBondContact CA-O 3.47Å; I16-G21 PolarHBondContact N-O 3.08Å; I16-G21 PolarHBondContact O-N 3.38Å; N19-G21 PolarHBondContact O-N 3.21Å
22	A	95.6	Very high	94.1	Very high	45 Å²	45	59.1 Å²	59.1	37%	0.372	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	140.1	179	0	0	0	0	0	112.3	Y24	A22-Y24 HydrophobicContact CB-CE2 3.86Å; A22-Y24 WeakPolarHBondContact O-CE2 3.18Å
23	V	97.4	Very high	93.4	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.024	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	158.2	160	173.9	0	0	0	0	108.1	L14 I38 L40 Y46 F138	L14-V23 HydrophobicContact CB-CB 4.1Å; L14-V23 HydrophobicContact CB-CG1 4.32Å; L14-V23 HydrophobicContact CB-CG2 3.72Å; L14-V23 HydrophobicContact CD1-CG1 4.42Å; L14-V23 WeakPolarHBondContact O-CG2 3.48Å; V23-I38 HydrophobicContact CG1-CG2 3.91Å; V23-L40 HydrophobicContact CG1-CD2 3.93Å; V23-L40 HydrophobicContact CG2-CD2 4.5Å; V23-Y46 HydrophobicContact CG2-CD1 3.73Å; V23-Y46 HydrophobicContact CG2-CE1 3.68Å; V23-F138 HydrophobicContact CB-CB 4.05Å; V23-F138 HydrophobicContact CB-CD1 4.27Å; V23-F138 HydrophobicContact CB-CG 4.47Å; V23-F138 HydrophobicContact CG1-CB 3.97Å; V23-F138 HydrophobicContact CG1-CD1 4.21Å; V23-F138 HydrophobicContact CG1-CG 4.17Å; V23-F138 VanDerWaalsContact O-CB 3.29Å; V23-F138 WeakPolarHBondContact O-CB 3.44Å; V23-F138 PolarHBondContact O-N 3.48Å
24	Y	97	Very high	93	Very high	59 Å²	59	65.6 Å²	65.6	23%	0.231	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	154.2	-177.1	-64.1	-98.5	0	0	0	110.9	A22 K39 Q133 N136	A22-Y24 HydrophobicContact CB-CE2 3.86Å; A22-Y24 WeakPolarHBondContact O-CE2 3.18Å; Y24-K39 WeakPolarHBondContact O-CB 3.32Å; Y24-K39 PolarHBondContact O-N 3.12Å; Y24-Q133 WeakPolarHBondContact CD1-O 3.29Å; Y24-Q133 HydrophobicContact CD2-CB 4.02Å; Y24-Q133 HydrophobicContact CD2-CG 4.07Å; Y24-Q133 WeakPolarHBondContact CE1-O 3.32Å; Y24-Q133 HydrophobicContact CE2-CB 3.75Å; Y24-Q133 HydrophobicContact CE2-CG 3.7Å; Y24-N136 CarbonylContact C-O 3.57Å; Y24-N136 VanDerWaalsContact CA-O 3.23Å; Y24-N136 WeakPolarHBondContact CA-O 3.36Å; Y24-N136 WeakPolarHBondContact CB-O 3.49Å
25	F	95.9	Very high	92.7	Very high	5 Å²	5	68.8 Å²	68.8	2%	0.022	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	160.3	170.9	77.4	-86	0	0	0	111.5	V27 R36 T37 N136 S137 F138 F161	F25-V27 HydrophobicContact CE2-CG2 3.95Å; F25-R36 HydrophobicContact CD2-CB 4.38Å; F25-R36 HydrophobicContact CD2-CG 4.45Å; F25-T37 CarbonylContact C-O 3.57Å; F25-T37 WeakPolarHBondContact CA-O 3.33Å; F25-T37 VanDerWaalsContact CB-O 3.28Å; F25-T37 WeakPolarHBondContact CB-O 3.48Å; F25-N136 HydrophobicContact CD1-CB 4.02Å; F25-N136 HydrophobicContact CE1-CB 3.55Å; F25-N136 HydrophobicContact CE2-CB 4.14Å; F25-N136 HydrophobicContact CZ-CB 3.61Å; F25-N136 PolarHBondContact N-O 2.9Å; F25-N136 PolarHBondContact O-N 2.87Å; F25-S137 WeakPolarHBondContact CE1-O 3.23Å; F25-F138 HydrophobicContact CB-CD2 4.22Å; F25-F138 HydrophobicContact CD1-CB 4.04Å; F25-F138 HydrophobicContact CD1-CD2 4.02Å; F25-F138 HydrophobicContact CG-CD2 4.43Å; F25-F161 HydrophobicContact CD2-CD1 4.3Å; F25-F161 HydrophobicContact CG-CD1 4.29Å; F25-F161 HydrophobicContact CZ-CB 4.43Å
26	K	93.8	Very high	92.5	Very high	93 Å²	93	69.7 Å²	69.7	40%	0.404	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140.1	172.7	-175.3	173.4	179.5	177.5	0	110	D28 R36 T37	K26-D28 PolarHBondContact O-N 3.17Å; K26-R36 CarbonylContact O-C 3.51Å; K26-R36 VanDerWaalsContact O-CA 3.27Å; K26-R36 WeakPolarHBondContact O-CA 3.49Å; K26-T37 PolarHBondContact N-O 3.13Å; K26-T37 PolarHBondContact O-N 2.97Å
27	V	92.8	Very high	92.4	Very high	75 Å²	75	67.8 Å²	67.8	46%	0.455	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	111.1	164.7	-175.6	0	0	0	0	107.4	F25 N35 R36	F25-V27 HydrophobicContact CE2-CG2 3.95Å; V27-N35 CarbonylContact C-O 3.55Å; V27-N35 WeakPolarHBondContact CA-O 3.05Å; V27-R36 HydrophobicContact CG2-CG 4.5Å
28	D	88.8	Confident	92.4	Very high	21 Å²	21	65.1 Å²	65.1	11%	0.112	36%	0.356	C	S	.	.			trans	-96.8	-10.2	179.8	-76.2	-47.2	0	0	0	112.2	K26 R31 F32 N35 T37 R100	K26-D28 PolarHBondContact O-N 3.17Å; D28-R31 WeakPolarHBondContact O-CB 3.33Å; D28-F32 HydrophobicContact CB-CD2 3.64Å; D28-F32 HydrophobicContact CB-CE2 4Å; D28-N35 PolarHBondContact N-O 2.82Å; D28-T37 VanDerWaalsContact OD2-CB 3.25Å; D28-T37 WeakPolarHBondContact OD2-CB 3.46Å; D28-T37 PolarHBondContact OD2-OG1 3.18Å; D28-R100 IonicContact OD1-NH2 3.73Å; D28-R100 PolarHBondContact OD1-NH2 2.87Å; D28-R100 IonicContact OD2-CZ 2.84Å; D28-R100 IonicContact OD2-NE 3.85Å; D28-R100 PolarHBondContact OD2-NE 3.48Å; D28-R100 IonicContact OD2-NH2 3.7Å; D28-R100 PolarHBondContact OD2-NH2 2.83Å
29	G	87.2	Confident	92.5	Very high	27 Å²	27	60.5 Å²	60.5	28%	0.278	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	60.4	-149	-174.8	0	0	0	0	0	111.6	R31 N35	G29-R31 PolarHBondContact O-N 2.88Å; G29-N35 PolarHBondContact N-O 2.82Å; G29-N35 WeakPolarHBondContact O-CA 3.38Å; G29-N35 PolarHBondContact O-OD1 3.2Å; G29-N35 VanDerWaalsContact O-OD1 3.09Å
30	Q	87.3	Confident	92.7	Very high	168 Å²	168	53.7 Å²	53.7	79%	0.785	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-77.5	16.1	-175.4	-61.1	-63.3	-32	0	0	114.4	N35	Q30-N35 PolarHBondContact NE2-OD1 2.86Å; Q30-N35 VanDerWaalsContact NE2-OD1 3.1Å
31	R	85.6	Confident	92.8	Very high	167 Å²	167	51 Å²	51	63%	0.63	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-74.1	-28.7	-176.5	-177.7	177.6	168.7	178.4	1	112.9	D28 G29	D28-R31 WeakPolarHBondContact O-CB 3.33Å; G29-R31 PolarHBondContact O-N 2.88Å
32	F	88	Confident	92.9	Very high	46 Å²	46	51.2 Å²	51.2	20%	0.202	27%	0.27	C	S	.	.	S	Bend	trans	-131	-179	-176.3	-56.3	-68.2	0	0	0	110.3	D28 Q34 G98 R100	D28-F32 HydrophobicContact CB-CD2 3.64Å; D28-F32 HydrophobicContact CB-CE2 4Å; F32-Q34 PolarHBondContact O-N 2.8Å; F32-G98 VanDerWaalsContact CE1-O 3.31Å; F32-G98 WeakPolarHBondContact CE1-O 3.32Å; F32-R100 HydrophobicContact CB-CG 4.49Å; F32-R100 HydrophobicContact CD1-CG 4.01Å; F32-R100 HydrophobicContact CD2-CG 3.79Å; F32-R100 HydrophobicContact CE1-CG 4.12Å; F32-R100 HydrophobicContact CE2-CG 3.93Å; F32-R100 HydrophobicContact CG-CG 3.85Å; F32-R100 HydrophobicContact CZ-CG 4.08Å
33	G	82.8	Confident	92.9	Very high	75 Å²	75	51.9 Å²	51.9	77%	0.773	28%	0.281	S	S	*	.	S	Bend	trans	-62.6	-23.7	-178.2	0	0	0	0	0	114.2
34	Q	89.2	Confident	92.9	Very high	79 Å²	79	52.5 Å²	52.5	37%	0.369	29%	0.286	S	S	.	.	S	Bend	trans	-127.9	151.5	172.2	-61.1	-65.7	-13.5	0	0	111.1	F32 R36 Q120	F32-Q34 PolarHBondContact O-N 2.8Å; Q34-R36 PolarHBondContact O-N 2.89Å; Q34-Q120 HydrophobicContact CB-CB 3.68Å; Q34-Q120 HydrophobicContact CB-CG 4.43Å; Q34-Q120 HydrophobicContact CG-CB 3.94Å; Q34-Q120 PolarHBondContact O-NE2 3.28Å; Q34-Q120 PolarHBondContact O-OE1 2.91Å
35	N	91.6	Very high	92.9	Very high	69 Å²	69	54.9 Å²	54.9	37%	0.369	30%	0.298	S	S	.	.	S	Bend	trans	-73.4	-13.7	-177.3	-70.1	-40.4	0	0	0	114.2	V27 D28 G29 Q30	V27-N35 CarbonylContact C-O 3.55Å; V27-N35 WeakPolarHBondContact CA-O 3.05Å; D28-N35 PolarHBondContact N-O 2.82Å; G29-N35 PolarHBondContact N-O 2.82Å; G29-N35 WeakPolarHBondContact O-CA 3.38Å; G29-N35 PolarHBondContact O-OD1 3.2Å; G29-N35 VanDerWaalsContact O-OD1 3.09Å; Q30-N35 PolarHBondContact NE2-OD1 2.86Å; Q30-N35 VanDerWaalsContact NE2-OD1 3.1Å
36	R	93.9	Very high	93	Very high	84 Å²	84	54.9 Å²	54.9	32%	0.317	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.5	-174.8	-63.1	176.2	-174.3	-112.9	0.7	110.1	F25 K26 V27 Q34 Q120 F161	F25-R36 HydrophobicContact CD2-CB 4.38Å; F25-R36 HydrophobicContact CD2-CG 4.45Å; K26-R36 CarbonylContact O-C 3.51Å; K26-R36 VanDerWaalsContact O-CA 3.27Å; K26-R36 WeakPolarHBondContact O-CA 3.49Å; V27-R36 HydrophobicContact CG2-CG 4.5Å; Q34-R36 PolarHBondContact O-N 2.89Å; R36-Q120 WeakPolarHBondContact O-CB 3.41Å; R36-Q120 PolarHBondContact O-NE2 3.32Å; R36-F161 HydrophobicContact CB-CD1 4.26Å; R36-F161 HydrophobicContact CB-CE1 4.04Å; R36-F161 HydrophobicContact CB-CE2 4.37Å; R36-F161 HydrophobicContact CB-CZ 4.1Å; R36-F161 VanDerWaalsContact CD-CD2 3.46Å
37	T	96.1	Very high	93.3	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.7	177.4	-66.6	0	0	0	0	110.3	F25 K26 D28 R100 Q120 K122	F25-T37 CarbonylContact C-O 3.57Å; F25-T37 WeakPolarHBondContact CA-O 3.33Å; F25-T37 VanDerWaalsContact CB-O 3.28Å; F25-T37 WeakPolarHBondContact CB-O 3.48Å; K26-T37 PolarHBondContact N-O 3.13Å; K26-T37 PolarHBondContact O-N 2.97Å; D28-T37 VanDerWaalsContact OD2-CB 3.25Å; D28-T37 WeakPolarHBondContact OD2-CB 3.46Å; D28-T37 PolarHBondContact OD2-OG1 3.18Å; T37-R100 VanDerWaalsContact CG2-CD 3.44Å; T37-R100 VanDerWaalsContact OG1-CD 3.32Å; T37-R100 WeakPolarHBondContact OG1-CD 3.25Å; T37-R100 PolarHBondContact OG1-NE 2.87Å; T37-Q120 CarbonylContact C-O 3.58Å; T37-Q120 VanDerWaalsContact CA-O 3.3Å; T37-Q120 WeakPolarHBondContact CA-O 3.49Å; T37-Q120 PolarHBondContact OG1-NE2 3.28Å; T37-K122 HydrophobicContact CG2-CB 3.76Å
38	I	97.4	Very high	93.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	137.3	168.2	-50.1	172.6	0	0	0	108.8	L14 V23 L40 W119 Q120 V121 K122 F138 I141 F161	L14-I38 HydrophobicContact CD1-CG2 4.17Å; V23-I38 HydrophobicContact CG1-CG2 3.91Å; I38-L40 HydrophobicContact CG2-CD2 4.03Å; I38-L40 HydrophobicContact CG2-CG 4.19Å; I38-W119 HydrophobicContact CD1-CB 4.06Å; I38-W119 HydrophobicContact CD1-CD2 3.69Å; I38-W119 HydrophobicContact CD1-CE3 3.63Å; I38-W119 HydrophobicContact CD1-CG 3.91Å; I38-W119 HydrophobicContact CD1-CZ3 4.34Å; I38-Q120 PolarHBondContact N-O 3.47Å; I38-V121 HydrophobicContact CB-CG2 4.38Å; I38-V121 CarbonylContact O-C 3.49Å; I38-V121 VanDerWaalsContact O-CA 3.3Å; I38-V121 WeakPolarHBondContact O-CA 3.21Å; I38-K122 PolarHBondContact O-N 3.2Å; I38-F138 HydrophobicContact CD1-CE2 4.02Å; I38-F138 HydrophobicContact CD1-CZ 4.27Å; I38-F138 HydrophobicContact CG1-CD2 4.44Å; I38-F138 HydrophobicContact CG1-CE2 3.97Å; I38-I141 HydrophobicContact CD1-CD1 3.73Å; I38-I141 HydrophobicContact CG1-CD1 4.5Å; I38-F161 HydrophobicContact CD1-CE1 4.48Å; I38-F161 HydrophobicContact CG1-CE1 3.99Å
39	K	97.5	Very high	94	Very high	11 Å²	11	50.3 Å²	50.3	5%	0.048	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.8	-180	-59.2	-176.7	172	-175.5	0	110.2	Y24 Y124 H131 C132 W134	Y24-K39 WeakPolarHBondContact O-CB 3.32Å; Y24-K39 PolarHBondContact O-N 3.12Å; K39-Y124 HydrophobicContact CB-CD2 4.31Å; K39-Y124 HydrophobicContact CB-CE2 3.91Å; K39-Y124 HydrophobicContact CD-CE2 3.92Å; K39-Y124 HydrophobicContact CG-CE2 3.87Å; K39-H131 PolarHBondContact NZ-O 2.9Å; K39-C132 WeakPolarHBondContact CB-O 3.44Å; K39-C132 WeakPolarHBondContact CD-O 3.21Å; K39-W134 WeakPolarHBondContact CE-O 3.5Å; K39-W134 PolarHBondContact NZ-O 2.75Å
40	L	98	Very high	94.5	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.6	179.7	-57.6	178.6	0	0	0	109.6	L14 V23 I38 Y46 Y87 V121 K122 F123 Y124	L14-L40 HydrophobicContact CD1-CD2 4.29Å; V23-L40 HydrophobicContact CG1-CD2 3.93Å; V23-L40 HydrophobicContact CG2-CD2 4.5Å; I38-L40 HydrophobicContact CG2-CD2 4.03Å; I38-L40 HydrophobicContact CG2-CG 4.19Å; L40-Y46 HydrophobicContact CB-CE2 4.2Å; L40-Y46 HydrophobicContact CD2-CD1 4.04Å; L40-Y46 HydrophobicContact CD2-CD2 4.48Å; L40-Y46 HydrophobicContact CD2-CE1 3.66Å; L40-Y46 HydrophobicContact CD2-CE2 4.14Å; L40-Y46 HydrophobicContact CD2-CG 4.44Å; L40-Y87 HydrophobicContact CD1-CE1 3.97Å; L40-V121 HydrophobicContact CB-CG1 4.38Å; L40-V121 HydrophobicContact CD1-CG1 3.88Å; L40-V121 HydrophobicContact CG-CG1 4.05Å; L40-K122 PolarHBondContact N-O 2.78Å; L40-F123 HydrophobicContact CB-CD1 3.79Å; L40-F123 HydrophobicContact CB-CE1 3.79Å; L40-F123 HydrophobicContact CD1-CE1 3.77Å; L40-F123 HydrophobicContact CD1-CZ 4.2Å; L40-F123 HydrophobicContact CG-CE1 4.39Å; L40-F123 CarbonylContact O-C 3.55Å; L40-F123 VanDerWaalsContact O-CA 3.28Å; L40-F123 WeakPolarHBondContact O-CA 3.28Å; L40-Y124 PolarHBondContact O-N 2.97Å
41	L	97.8	Very high	95	Very high	13 Å²	13	42.7 Å²	42.7	7%	0.068	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	146.3	167.1	-68.8	178.7	0	0	0	108.7	I16 A44 Y46 T89 Y124 Y126 R129 C132	I16-L41 HydrophobicContact CD1-CD1 3.8Å; L41-A44 HydrophobicContact CB-CB 3.94Å; L41-Y46 WeakPolarHBondContact CB-OH 3.43Å; L41-Y46 PolarHBondContact N-OH 3.1Å; L41-T89 PolarHBondContact O-OG1 3.01Å; L41-Y124 CarbonylContact C-O 3.56Å; L41-Y124 VanDerWaalsContact CA-O 3.25Å; L41-Y124 WeakPolarHBondContact CA-O 3.11Å; L41-Y126 HydrophobicContact CD1-CD2 4.32Å; L41-R129 HydrophobicContact CD1-CB 4.31Å; L41-R129 HydrophobicContact CD2-CB 4.21Å; L41-C132 HydrophobicContact CD2-CB 3.93Å; L41-C132 HydrophobicContact CG-CB 4.48Å
42	T	96.8	Very high	95.6	Very high	30 Å²	30	34.7 Å²	34.7	18%	0.184	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	148.3	166.2	59.4	0	0	0	0	110.5	A44 V92 H94 F123 Y124	T42-A44 PolarHBondContact O-N 2.84Å; T42-V92 WeakPolarHBondContact CB-O 3.45Å; T42-V92 WeakPolarHBondContact CG2-O 3.29Å; T42-H94 HydrophobicContact CG2-CB 3.91Å; T42-F123 HydrophobicContact CG2-CB 3.77Å; T42-F123 HydrophobicContact CG2-CD1 4.49Å; T42-F123 HydrophobicContact CG2-CG 4.47Å; T42-Y124 PolarHBondContact N-O 2.92Å; T42-Y124 PolarHBondContact OG1-O 3.07Å
43	G	95.8	Very high	96.1	Very high	59 Å²	59	38.4 Å²	38.4	61%	0.608	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	24.1	178.3	0	0	0	0	0	113.7	T89	G43-T89 PolarHBondContact N-O 2.81Å; G43-T89 PolarHBondContact N-OG1 2.88Å
44	A	96.9	Very high	96.7	Very high	16 Å²	16	36.8 Å²	36.8	13%	0.132	19%	0.193	C	C	.	.			trans	-119.1	154.2	177.9	0	0	0	0	0	111.1	I16 L41 T42 Y46 T89	I16-A44 HydrophobicContact CD1-CB 4.15Å; I16-A44 HydrophobicContact CG1-CB 4.49Å; L41-A44 HydrophobicContact CB-CB 3.94Å; T42-A44 PolarHBondContact O-N 2.84Å; A44-Y46 HydrophobicContact CB-CE2 3.89Å; A44-T89 PolarHBondContact N-OG1 3.11Å; A44-T89 PolarHBondContact O-N 3Å; A44-T89 PolarHBondContact O-OG1 3.28Å
45	K	98.3	Very high	97	Very high	110 Å²	110	33.1 Å²	33.1	48%	0.478	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.3	173.8	-70.1	177.1	177.8	178.5	0	110.2	Q17 I86 Y87 D88	Q17-K45 HydrophobicContact CB-CB 4.02Å; Q17-K45 WeakPolarHBondContact CB-O 3.43Å; Q17-K45 HydrophobicContact CG-CB 4.36Å; Q17-K45 PolarHBondContact N-O 3.17Å; K45-I86 HydrophobicContact CB-CG2 4.09Å; K45-I86 HydrophobicContact CD-CG2 4.29Å; K45-I86 HydrophobicContact CG-CG2 4.21Å; K45-Y87 WeakPolarHBondContact CA-O 3.32Å; K45-D88 WeakPolarHBondContact CE-OD2 3.44Å; K45-D88 HydrophobicContact CG-CB 4.39Å; K45-D88 IonicContact NZ-OD2 3.13Å
46	Y	98.4	Very high	97.1	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.6	177.2	-67.4	-86.2	0	0	0	109.1	K15 I16 V23 L40 L41 A44 I48 I86 Y87 T89	K15-Y46 CarbonylContact O-C 3.6Å; K15-Y46 WeakPolarHBondContact O-CA 3.42Å; I16-Y46 HydrophobicContact CB-CD1 4.12Å; I16-Y46 HydrophobicContact CB-CE1 3.75Å; I16-Y46 HydrophobicContact CD1-CE1 4.23Å; I16-Y46 HydrophobicContact CG1-CD1 4.49Å; I16-Y46 HydrophobicContact CG1-CE1 3.96Å; V23-Y46 HydrophobicContact CG2-CD1 3.73Å; V23-Y46 HydrophobicContact CG2-CE1 3.68Å; L40-Y46 HydrophobicContact CB-CE2 4.2Å; L40-Y46 HydrophobicContact CD2-CD1 4.04Å; L40-Y46 HydrophobicContact CD2-CD2 4.48Å; L40-Y46 HydrophobicContact CD2-CE1 3.66Å; L40-Y46 HydrophobicContact CD2-CE2 4.14Å; L40-Y46 HydrophobicContact CD2-CG 4.44Å; L41-Y46 WeakPolarHBondContact CB-OH 3.43Å; L41-Y46 PolarHBondContact N-OH 3.1Å; A44-Y46 HydrophobicContact CB-CE2 3.89Å; Y46-I48 PolarHBondContact O-N 3.42Å; Y46-I86 WeakPolarHBondContact O-CA 3.32Å; Y46-Y87 HydrophobicContact CD2-CD1 4.25Å; Y46-Y87 PolarHBondContact N-O 2.84Å; Y46-Y87 PolarHBondContact O-N 3.22Å; Y46-T89 HydrophobicContact CD2-CG2 4.01Å; Y46-T89 HydrophobicContact CE2-CG2 3.92Å
47	K	98.5	Very high	97.1	Very high	35 Å²	35	30.5 Å²	30.5	15%	0.152	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	123.3	164.4	-179.1	176.6	60.1	171.9	0	107.7	L14 K15 Q17 D20 E49 T84 G85 I86	L14-K47 WeakPolarHBondContact CA-O 3.3Å; K15-K47 PolarHBondContact N-O 2.97Å; K15-K47 PolarHBondContact O-N 3.09Å; Q17-K47 HydrophobicContact CG-CB 4.18Å; Q17-K47 VanDerWaalsContact NE2-CB 3.31Å; D20-K47 WeakPolarHBondContact OD1-CE 3.33Å; D20-K47 IonicContact OD1-NZ 3.32Å; D20-K47 PolarHBondContact OD1-NZ 2.72Å; D20-K47 VanDerWaalsContact OD1-NZ 3.07Å; D20-K47 IonicContact OD2-NZ 3.26Å; D20-K47 PolarHBondContact OD2-NZ 2.83Å; K47-E49 HydrophobicContact CD-CG 4.37Å; K47-E49 VanDerWaalsContact CE-OE1 3.22Å; K47-E49 WeakPolarHBondContact CE-OE1 3.33Å; K47-E49 HydrophobicContact CG-CG 4.26Å; K47-E49 IonicContact NZ-OE1 2.7Å; K47-E49 PolarHBondContact NZ-OE1 3.04Å; K47-E49 VanDerWaalsContact NZ-OE1 3.13Å; K47-T84 WeakPolarHBondContact CG-OG1 3.37Å; K47-G85 WeakPolarHBondContact CA-O 3.48Å; K47-I86 HydrophobicContact CB-CD1 4.19Å
48	I	98.3	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.8	171.5	-56.2	174.2	0	0	0	106.7	V12 S13 L14 Y46 V50 M62 I64 V69 T84 G85	V12-I48 HydrophobicContact CG1-CG2 3.75Å; S13-I48 WeakPolarHBondContact O-CA 3.3Å; L14-I48 HydrophobicContact CD2-CB 4.39Å; L14-I48 HydrophobicContact CD2-CD1 4.49Å; L14-I48 HydrophobicContact CD2-CG1 3.65Å; L14-I48 HydrophobicContact CD2-CG2 4.47Å; Y46-I48 PolarHBondContact O-N 3.42Å; I48-V50 HydrophobicContact CG2-CG2 3.79Å; I48-M62 HydrophobicContact CD1-SD 4.38Å; I48-M62 HydrophobicContact CG2-SD 4.09Å; I48-I64 HydrophobicContact CD1-CD1 3.43Å; I48-I64 VanDerWaalsContact CD1-CD1 3.43Å; I48-V69 HydrophobicContact CD1-CB 4.41Å; I48-V69 HydrophobicContact CD1-CG1 4.14Å; I48-V69 HydrophobicContact CD1-CG2 4.14Å; I48-T84 CarbonylContact O-C 3.49Å; I48-T84 WeakPolarHBondContact O-CA 3.35Å; I48-T84 PolarHBondContact O-OG1 2.86Å; I48-T84 VanDerWaalsContact O-OG1 3.11Å; I48-G85 PolarHBondContact N-O 2.84Å; I48-G85 PolarHBondContact O-N 2.71Å
49	E	98.3	Very high	96.9	Very high	59 Å²	59	34.7 Å²	34.7	28%	0.276	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.1	166.8	-46.6	165.5	153.4	0	0	107.7	V12 S13 K15 K47 Y83	V12-E49 WeakPolarHBondContact CA-O 3.36Å; S13-E49 PolarHBondContact N-O 3.27Å; S13-E49 PolarHBondContact O-N 2.85Å; S13-E49 VanDerWaalsContact O-N 3.14Å; S13-E49 VanDerWaalsContact OG-CB 3.29Å; S13-E49 WeakPolarHBondContact OG-CB 3.12Å; S13-E49 PolarHBondContact OG-O 2.94Å; S13-E49 PolarHBondContact OG-OE2 2.86Å; K15-E49 WeakPolarHBondContact CE-OE2 3.27Å; K15-E49 IonicContact NZ-OE1 3.07Å; K15-E49 PolarHBondContact NZ-OE1 2.82Å; K15-E49 IonicContact NZ-OE2 2.93Å; K15-E49 PolarHBondContact NZ-OE2 2.81Å; K47-E49 HydrophobicContact CD-CG 4.37Å; K47-E49 VanDerWaalsContact CE-OE1 3.22Å; K47-E49 WeakPolarHBondContact CE-OE1 3.33Å; K47-E49 HydrophobicContact CG-CG 4.26Å; K47-E49 IonicContact NZ-OE1 2.7Å; K47-E49 PolarHBondContact NZ-OE1 3.04Å; K47-E49 VanDerWaalsContact NZ-OE1 3.13Å; E49-Y83 WeakPolarHBondContact CA-O 3.45Å
50	V	98.4	Very high	96.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.3	-179.5	179.5	0	0	0	0	108.1	I10 S11 V12 I48 L52 M62 L71 S82 Y83 M107	I10-V50 HydrophobicContact CG2-CG1 4.41Å; S11-V50 CarbonylContact O-C 3.57Å; S11-V50 VanDerWaalsContact O-CA 3.29Å; S11-V50 WeakPolarHBondContact O-CA 3.31Å; V12-V50 HydrophobicContact CG2-CG2 4.48Å; I48-V50 HydrophobicContact CG2-CG2 3.79Å; V50-L52 HydrophobicContact CG1-CD2 3.56Å; V50-L52 HydrophobicContact CG1-CG 3.97Å; V50-M62 HydrophobicContact CG2-SD 4.3Å; V50-L71 HydrophobicContact CG2-CD1 4.47Å; V50-L71 HydrophobicContact CG2-CD2 4.1Å; V50-S82 CarbonylContact O-C 3.5Å; V50-S82 VanDerWaalsContact O-CA 3.26Å; V50-S82 WeakPolarHBondContact O-CA 3.43Å; V50-Y83 PolarHBondContact N-O 3.22Å; V50-Y83 PolarHBondContact O-N 3.01Å; V50-M107 HydrophobicContact CB-CE 4.45Å; V50-M107 HydrophobicContact CG1-CE 3.69Å; V50-M107 HydrophobicContact CG1-SD 4.13Å; V50-M107 HydrophobicContact CG2-CE 3.91Å
51	A	98.3	Very high	96.7	Very high	32 Å²	32	37.7 Å²	37.7	26%	0.264	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.1	169.1	0	0	0	0	0	110	S11 V80 V81	S11-A51 PolarHBondContact N-O 3.2Å; S11-A51 PolarHBondContact O-N 3.11Å; A51-V80 HydrophobicContact CB-CG2 4.24Å; A51-V81 WeakPolarHBondContact CA-O 3.41Å
52	L	97.9	Very high	96.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.5	-179.5	-48.6	172.1	0	0	0	110	K9 I10 V50 V57 A59 V80 V81 Y83 M107 F109	K9-L52 CarbonylContact O-C 3.53Å; K9-L52 WeakPolarHBondContact O-CA 3.24Å; I10-L52 HydrophobicContact CB-CD2 4.16Å; I10-L52 HydrophobicContact CG1-CD2 3.96Å; I10-L52 HydrophobicContact CG2-CD2 3.79Å; V50-L52 HydrophobicContact CG1-CD2 3.56Å; V50-L52 HydrophobicContact CG1-CG 3.97Å; L52-V57 HydrophobicContact CD1-CG1 4.07Å; L52-A59 HydrophobicContact CD1-CB 3.72Å; L52-V80 WeakPolarHBondContact O-CA 3.45Å; L52-V80 WeakPolarHBondContact O-CG2 3.47Å; L52-V81 HydrophobicContact CB-CG1 3.73Å; L52-V81 HydrophobicContact CD1-CG1 4.09Å; L52-V81 HydrophobicContact CG-CG1 4.26Å; L52-V81 PolarHBondContact N-O 3.07Å; L52-V81 PolarHBondContact O-N 2.87Å; L52-Y83 HydrophobicContact CD1-CD2 4.03Å; L52-Y83 HydrophobicContact CD1-CE2 3.53Å; L52-Y83 HydrophobicContact CG-CD2 4.44Å; L52-Y83 HydrophobicContact CG-CE2 4.29Å; L52-M107 HydrophobicContact CD2-SD 4.12Å; L52-F109 HydrophobicContact CD1-CE1 3.86Å; L52-F109 HydrophobicContact CD2-CE1 4.14Å; L52-F109 HydrophobicContact CD2-CZ 4.32Å
53	R	97.4	Very high	96.8	Very high	124 Å²	124	36 Å²	36	47%	0.468	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.9	172.2	-56.6	179.9	174.3	-112.8	1.2	109.7	V8 K9 Q79 V80	V8-R53 CarbonylContact C-O 3.57Å; V8-R53 VanDerWaalsContact CA-O 3.3Å; V8-R53 WeakPolarHBondContact CA-O 3.31Å; K9-R53 HydrophobicContact CB-CB 4.23Å; K9-R53 PolarHBondContact N-O 3.07Å; K9-R53 PolarHBondContact O-N 3.36Å; R53-Q79 WeakPolarHBondContact CB-O 3.4Å; R53-Q79 WeakPolarHBondContact CG-O 3.45Å; R53-V80 HydrophobicContact CG-CB 4.23Å; R53-V80 HydrophobicContact CG-CG2 4.16Å
54	P	96.1	Very high	96.8	Very high	40 Å²	40	33.3 Å²	33.3	26%	0.26	18%	0.176	S	C	.	.	S	Bend	cis	-73.3	165	-0.3	30.2	-34.2	0	0	0	113.1	P5 T56 V57 Q79	P5-P54 HydrophobicContact CB-CG 3.63Å; P5-P54 HydrophobicContact CG-CG 4.08Å; P54-T56 PolarHBondContact O-N 2.98Å; P54-T56 VanDerWaalsContact O-N 3.07Å; P54-V57 HydrophobicContact CG-CG2 4.22Å; P54-V57 WeakPolarHBondContact O-CB 3.43Å; P54-V57 WeakPolarHBondContact O-CG2 3.27Å; P54-V57 PolarHBondContact O-N 2.76Å; P54-V57 VanDerWaalsContact O-N 3.12Å; P54-Q79 CarbonylContact C-O 3.48Å; P54-Q79 WeakPolarHBondContact CA-O 3.35Å
55	G	95.6	Very high	96.7	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	2.5	-177.3	0	0	0	0	0	114.4	R76 D77 A78 Q79	G55-R76 PolarHBondContact O-NH1 2.88Å; G55-D77 WeakPolarHBondContact CA-O 3.33Å; G55-A78 PolarHBondContact N-O 2.79Å; G55-A78 VanDerWaalsContact N-O 3.17Å; G55-Q79 PolarHBondContact N-O 3.31Å; G55-Q79 VanDerWaalsContact N-O 3.1Å
56	T	93.7	Very high	96.4	Very high	90 Å²	90	33.3 Å²	33.3	55%	0.552	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-17.4	169.4	53.7	0	0	0	0	112.8	P54	P54-T56 PolarHBondContact O-N 2.98Å; P54-T56 VanDerWaalsContact O-N 3.07Å
57	V	94.1	Very high	96.3	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.042	22%	0.221	C	C	.	.			trans	-70.3	145.3	179	178.2	0	0	0	0	110.2	P5 V8 L52 P54 R76 V81 F109 I112	P5-V57 HydrophobicContact CG-CG2 3.85Å; V8-V57 HydrophobicContact CG1-CG1 4.48Å; V8-V57 HydrophobicContact CG1-CG2 4.36Å; V8-V57 HydrophobicContact CG2-CG2 4.21Å; L52-V57 HydrophobicContact CD1-CG1 4.07Å; P54-V57 HydrophobicContact CG-CG2 4.22Å; P54-V57 WeakPolarHBondContact O-CB 3.43Å; P54-V57 WeakPolarHBondContact O-CG2 3.27Å; P54-V57 PolarHBondContact O-N 2.76Å; P54-V57 VanDerWaalsContact O-N 3.12Å; V57-R76 PolarHBondContact O-NH1 3.46Å; V57-V81 WeakPolarHBondContact O-CG1 3.36Å; V57-F109 HydrophobicContact CG1-CD1 3.28Å; V57-F109 HydrophobicContact CG1-CE1 3.42Å; V57-F109 VanDerWaalsContact CG1-CE1 3.42Å; V57-I112 HydrophobicContact CB-CD1 4.49Å; V57-I112 HydrophobicContact CG1-CD1 3.68Å; V57-I112 HydrophobicContact CG2-CD1 4.02Å
58	Q	94.4	Very high	96.2	Very high	84 Å²	84	38.3 Å²	38.3	39%	0.393	24%	0.239	S	C	.	.			trans	-130.8	125.8	178	-58.6	-172.4	1	0	0	110.5	Y83 F109 N110	Q58-Y83 WeakPolarHBondContact CA-OH 3.26Å; Q58-F109 WeakPolarHBondContact O-CA 3.5Å; Q58-F109 WeakPolarHBondContact O-CB 3.45Å; Q58-F109 WeakPolarHBondContact O-CD1 3.43Å; Q58-N110 HydrophobicContact CB-CB 4.45Å; Q58-N110 PolarHBondContact O-N 3.06Å; Q58-N110 PolarHBondContact OE1-ND2 2.87Å
59	A	95.1	Very high	96.2	Very high	6 Å²	6	38.3 Å²	38.3	5%	0.05	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	149.9	172.3	0	0	0	0	0	110.2	L52 L71 Y83 M107 Q108 F109	L52-A59 HydrophobicContact CD1-CB 3.72Å; A59-L71 HydrophobicContact CB-CD1 4.02Å; A59-Y83 HydrophobicContact CB-CE2 4.43Å; A59-Y83 PolarHBondContact N-OH 2.83Å; A59-Y83 WeakPolarHBondContact O-CE1 3.48Å; A59-M107 HydrophobicContact CB-CG 3.86Å; A59-M107 HydrophobicContact CB-SD 3.69Å; A59-Q108 VanDerWaalsContact CA-O 3.26Å; A59-Q108 WeakPolarHBondContact CA-O 3.47Å; A59-F109 HydrophobicContact CB-CD1 4.11Å; A59-F109 HydrophobicContact CB-CE1 4.15Å
60	T	94.1	Very high	96.1	Very high	54 Å²	54	39.7 Å²	39.7	33%	0.331	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-41.2	-177	56.7	0	0	0	0	112.5	L71 Q108 N110	T60-L71 PolarHBondContact O-N 2.75Å; T60-Q108 PolarHBondContact N-O 3.02Å; T60-Q108 VanDerWaalsContact N-O 3.07Å; T60-N110 VanDerWaalsContact CG2-OD1 3.23Å; T60-N110 WeakPolarHBondContact CG2-OD1 3.37Å
61	T	96.5	Very high	96.1	Very high	23 Å²	23	40.5 Å²	40.5	14%	0.141	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	149.4	-172.4	53	0	0	0	0	110.8	N68 V69 M107 Q108	T61-N68 VanDerWaalsContact CB-OD1 3.32Å; T61-N68 WeakPolarHBondContact CB-OD1 3.28Å; T61-V69 WeakPolarHBondContact CA-O 3.44Å; T61-M107 WeakPolarHBondContact O-CA 3.44Å; T61-M107 WeakPolarHBondContact O-CG 3.27Å; T61-Q108 PolarHBondContact O-N 2.91Å
62	M	97.9	Very high	96.1	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.2	170.8	-173	173.4	-174.2	0	0	109.5	V12 I48 V50 I64 V69 L71 V105 N106 M107 W119	V12-M62 HydrophobicContact CG1-CE 4.05Å; V12-M62 HydrophobicContact CG1-SD 4.34Å; V12-M62 HydrophobicContact CG2-CE 4.23Å; I48-M62 HydrophobicContact CD1-SD 4.38Å; I48-M62 HydrophobicContact CG2-SD 4.09Å; V50-M62 HydrophobicContact CG2-SD 4.3Å; M62-I64 HydrophobicContact CE-CD1 4.08Å; M62-I64 HydrophobicContact CE-CG1 4.2Å; M62-I64 HydrophobicContact CG-CD1 4.39Å; M62-I64 HydrophobicContact CG-CG1 4.11Å; M62-I64 HydrophobicContact SD-CD1 4.19Å; M62-I64 HydrophobicContact SD-CG1 4.48Å; M62-V69 PolarHBondContact N-O 3.17Å; M62-V69 WeakPolarHBondContact O-CA 3.28Å; M62-V69 VanDerWaalsContact O-CB 3.32Å; M62-V69 WeakPolarHBondContact O-CB 3.41Å; M62-V69 PolarHBondContact O-N 2.67Å; M62-L71 HydrophobicContact CB-CD1 4.24Å; M62-L71 HydrophobicContact CB-CD2 4.26Å; M62-L71 HydrophobicContact CB-CG 4.32Å; M62-V105 HydrophobicContact CE-CG1 3.25Å; M62-N106 CarbonylContact C-O 3.53Å; M62-N106 VanDerWaalsContact CA-O 3.27Å; M62-N106 WeakPolarHBondContact CA-O 3.35Å; M62-N106 WeakPolarHBondContact CG-O 3.15Å; M62-M107 HydrophobicContact CB-CE 4.38Å; M62-M107 HydrophobicContact CE-CE 4.49Å; M62-M107 HydrophobicContact CG-CE 4.17Å; M62-M107 HydrophobicContact SD-CE 3.87Å; M62-W119 HydrophobicContact CE-CH2 3.57Å; M62-W119 HydrophobicContact CE-CZ2 3.67Å
63	G	97.8	Very high	96.1	Very high	7 Å²	7	49 Å²	49	7%	0.072	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.2	171.1	0	0	0	0	0	110.9	V67 V105 N106	G63-V67 CarbonylContact C-O 3.45Å; G63-V67 WeakPolarHBondContact CA-O 3.46Å; G63-V105 CarbonylContact O-C 3.59Å; G63-V105 VanDerWaalsContact O-CA 3.24Å; G63-V105 WeakPolarHBondContact O-CA 3.48Å; G63-N106 WeakPolarHBondContact CA-OD1 3.29Å; G63-N106 PolarHBondContact N-O 2.82Å; G63-N106 PolarHBondContact N-OD1 2.71Å; G63-N106 PolarHBondContact O-N 2.84Å
64	I	97.8	Very high	96.1	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	107.7	174.5	-55.7	-179.4	0	0	0	109.1	I48 M62 G66 V67 Y87 I103 V105 W119	I48-I64 HydrophobicContact CD1-CD1 3.43Å; I48-I64 VanDerWaalsContact CD1-CD1 3.43Å; M62-I64 HydrophobicContact CE-CD1 4.08Å; M62-I64 HydrophobicContact CE-CG1 4.2Å; M62-I64 HydrophobicContact CG-CD1 4.39Å; M62-I64 HydrophobicContact CG-CG1 4.11Å; M62-I64 HydrophobicContact SD-CD1 4.19Å; M62-I64 HydrophobicContact SD-CG1 4.48Å; I64-G66 PolarHBondContact O-N 2.89Å; I64-V67 PolarHBondContact N-O 2.67Å; I64-V67 WeakPolarHBondContact O-CB 3.4Å; I64-V67 PolarHBondContact O-N 2.88Å; I64-Y87 HydrophobicContact CB-CD2 4.08Å; I64-Y87 HydrophobicContact CB-CE2 3.86Å; I64-Y87 HydrophobicContact CD1-CD1 4.46Å; I64-Y87 HydrophobicContact CD1-CD2 4.41Å; I64-Y87 HydrophobicContact CD1-CG 4.21Å; I64-Y87 HydrophobicContact CG2-CD1 4.46Å; I64-Y87 HydrophobicContact CG2-CD2 4.33Å; I64-Y87 HydrophobicContact CG2-CE1 3.95Å; I64-Y87 HydrophobicContact CG2-CE2 3.83Å; I64-I103 HydrophobicContact CG2-CG2 3.75Å; I64-V105 HydrophobicContact CG1-CG2 4.32Å; I64-V105 HydrophobicContact CG2-CG2 4.23Å; I64-W119 HydrophobicContact CD1-CH2 4.27Å; I64-W119 HydrophobicContact CD1-CZ3 4.02Å
65	G	94.3	Very high	96.2	Very high	43 Å²	43	50.3 Å²	50.3	44%	0.443	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	32.3	176	0	0	0	0	0	114	V67 Q104	G65-V67 VanDerWaalsContact C-N 3.34Å; G65-Q104 PolarHBondContact N-O 3.34Å
66	G	91.6	Very high	96.3	Very high	83 Å²	83	54.1 Å²	54.1	86%	0.856	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-9.3	-176.2	0	0	0	0	0	114.9	I64	I64-G66 PolarHBondContact O-N 2.89Å
67	V	95.8	Very high	96.4	Very high	47 Å²	47	54 Å²	54	29%	0.285	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.4	170.5	-177.7	0	0	0	0	108.9	G63 I64 G65 V69 Y87	G63-V67 CarbonylContact C-O 3.45Å; G63-V67 WeakPolarHBondContact CA-O 3.46Å; I64-V67 PolarHBondContact N-O 2.67Å; I64-V67 WeakPolarHBondContact O-CB 3.4Å; I64-V67 PolarHBondContact O-N 2.88Å; G65-V67 VanDerWaalsContact C-N 3.34Å; V67-V69 HydrophobicContact CG1-CG2 4.33Å; V67-Y87 HydrophobicContact CB-CD2 4.03Å; V67-Y87 HydrophobicContact CB-CE2 3.73Å; V67-Y87 HydrophobicContact CG1-CD2 3.98Å; V67-Y87 HydrophobicContact CG1-CE2 4.16Å; V67-Y87 HydrophobicContact CG2-CD2 4.45Å; V67-Y87 HydrophobicContact CG2-CE2 3.79Å
68	N	96.3	Very high	96.4	Very high	97 Å²	97	57.8 Å²	57.8	52%	0.519	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.9	174.7	-167.4	6.7	0	0	0	109.8	T61	T61-N68 VanDerWaalsContact CB-OD1 3.32Å; T61-N68 WeakPolarHBondContact CB-OD1 3.28Å
69	V	97.9	Very high	96.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.5	-179.9	-175.9	0	0	0	0	109.3	I48 T61 M62 V67 I86 Y87	I48-V69 HydrophobicContact CD1-CB 4.41Å; I48-V69 HydrophobicContact CD1-CG1 4.14Å; I48-V69 HydrophobicContact CD1-CG2 4.14Å; T61-V69 WeakPolarHBondContact CA-O 3.44Å; M62-V69 PolarHBondContact N-O 3.17Å; M62-V69 WeakPolarHBondContact O-CA 3.28Å; M62-V69 VanDerWaalsContact O-CB 3.32Å; M62-V69 WeakPolarHBondContact O-CB 3.41Å; M62-V69 PolarHBondContact O-N 2.67Å; V67-V69 HydrophobicContact CG1-CG2 4.33Å; V69-I86 WeakPolarHBondContact CG1-O 3.42Å; V69-Y87 HydrophobicContact CG2-CD2 4.13Å
70	P	97.6	Very high	96.6	Very high	89 Å²	89	61.2 Å²	61.2	58%	0.578	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	135.8	169.9	-21.5	33.6	0	0	0	111
71	L	98	Very high	96.7	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.094	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-102.4	117.9	177	-66.8	-179.5	0	0	0	110.3	V50 A59 T60 M62 Y83 T84 M107	V50-L71 HydrophobicContact CG2-CD1 4.47Å; V50-L71 HydrophobicContact CG2-CD2 4.1Å; A59-L71 HydrophobicContact CB-CD1 4.02Å; T60-L71 PolarHBondContact O-N 2.75Å; M62-L71 HydrophobicContact CB-CD1 4.24Å; M62-L71 HydrophobicContact CB-CD2 4.26Å; M62-L71 HydrophobicContact CB-CG 4.32Å; L71-Y83 HydrophobicContact CB-CD1 4Å; L71-Y83 HydrophobicContact CB-CG 4.2Å; L71-T84 CarbonylContact C-O 3.53Å; L71-T84 WeakPolarHBondContact CA-O 3.29Å; L71-M107 HydrophobicContact CD1-CE 4.23Å; L71-M107 HydrophobicContact CD1-CG 4.34Å; L71-M107 HydrophobicContact CD1-SD 4.21Å
72	E	97.9	Very high	96.8	Very high	120 Å²	120	59 Å²	59	56%	0.561	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.8	173.3	-66.2	179.9	179.3	0	0	110.3	K74 Y83 T84	E72-K74 PolarHBondContact O-N 3.42Å; E72-K74 IonicContact OE2-NZ 2.92Å; E72-K74 PolarHBondContact OE2-NZ 3.13Å; E72-Y83 CarbonylContact O-C 3.55Å; E72-Y83 WeakPolarHBondContact O-CA 3.46Å; E72-T84 HydrophobicContact CB-CG2 4.29Å; E72-T84 PolarHBondContact N-O 2.81Å; E72-T84 PolarHBondContact O-N 2.82Å
73	E	98.1	Very high	96.9	Very high	92 Å²	92	59.5 Å²	59.5	43%	0.43	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	134.3	174.4	-172.6	170.5	134.9	0	0	110.6	R76 V81 Y83	E73-R76 VanDerWaalsContact OE1-CB 3.29Å; E73-R76 WeakPolarHBondContact OE1-CB 3.34Å; E73-R76 IonicContact OE1-NE 3.17Å; E73-R76 PolarHBondContact OE1-NE 2.84Å; E73-R76 VanDerWaalsContact OE1-NE 3.13Å; E73-R76 IonicContact OE2-CZ 2.72Å; E73-R76 IonicContact OE2-NE 2.67Å; E73-R76 PolarHBondContact OE2-NE 3.44Å; E73-R76 VanDerWaalsContact OE2-NE 3.17Å; E73-R76 IonicContact OE2-NH2 3.32Å; E73-R76 PolarHBondContact OE2-NH2 2.87Å; E73-V81 HydrophobicContact CG-CG2 3.94Å; E73-Y83 HydrophobicContact CB-CD1 3.94Å; E73-Y83 HydrophobicContact CB-CE1 3.77Å; E73-Y83 HydrophobicContact CG-CE1 4.27Å
74	K	97.9	Very high	96.9	Very high	125 Å²	125	60 Å²	60	54%	0.543	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-38.3	176.2	-68.4	-55.3	-174.3	-140.9	0	112.7	E72 S82 T84	E72-K74 PolarHBondContact O-N 3.42Å; E72-K74 IonicContact OE2-NZ 2.92Å; E72-K74 PolarHBondContact OE2-NZ 3.13Å; K74-S82 PolarHBondContact N-O 3.39Å; K74-T84 HydrophobicContact CD-CG2 4.33Å; K74-T84 HydrophobicContact CG-CG2 4.31Å
75	S	97.5	Very high	96.9	Very high	65 Å²	65	60.2 Å²	60.2	46%	0.455	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	154.2	176.6	66.4	0	0	0	0	110.9	V81 S82	S75-V81 CarbonylContact O-C 3.54Å; S75-V81 WeakPolarHBondContact O-CA 3.4Å; S75-V81 WeakPolarHBondContact O-CG2 3.41Å; S75-S82 PolarHBondContact N-OG 3.21Å; S75-S82 PolarHBondContact O-N 2.83Å; S75-S82 PolarHBondContact OG-OG 3.1Å
76	R	98	Very high	97.1	Very high	83 Å²	83	62.1 Å²	62.1	31%	0.313	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	135.7	176	-178.9	-179	-62.2	-93.3	4.7	110.5	G55 V57 E73 V80 V81 Y83	G55-R76 PolarHBondContact O-NH1 2.88Å; V57-R76 PolarHBondContact O-NH1 3.46Å; E73-R76 VanDerWaalsContact OE1-CB 3.29Å; E73-R76 WeakPolarHBondContact OE1-CB 3.34Å; E73-R76 IonicContact OE1-NE 3.17Å; E73-R76 PolarHBondContact OE1-NE 2.84Å; E73-R76 VanDerWaalsContact OE1-NE 3.13Å; E73-R76 IonicContact OE2-CZ 2.72Å; E73-R76 IonicContact OE2-NE 2.67Å; E73-R76 PolarHBondContact OE2-NE 3.44Å; E73-R76 VanDerWaalsContact OE2-NE 3.17Å; E73-R76 IonicContact OE2-NH2 3.32Å; E73-R76 PolarHBondContact OE2-NH2 2.87Å; R76-V80 WeakPolarHBondContact CA-O 3.5Å; R76-V81 HydrophobicContact CB-CB 4.31Å; R76-V81 HydrophobicContact CB-CG2 4.13Å; R76-V81 HydrophobicContact CG-CB 4.15Å; R76-V81 HydrophobicContact CG-CG2 4.34Å; R76-Y83 PolarHBondContact NH2-OH 3.29Å
77	D	95.9	Very high	97.4	Very high	89 Å²	89	58.4 Å²	58.4	48%	0.476	32%	0.316	S	S	.	.			trans	-132.7	-171.2	161.5	66.3	44.4	0	0	0	109.7	G55 Q79 V80	G55-D77 WeakPolarHBondContact CA-O 3.33Å; D77-Q79 VanDerWaalsContact C-N 3.28Å; D77-Q79 PolarHBondContact O-N 2.85Å; D77-Q79 WeakPolarHBondContact OD1-CA 3.49Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.48Å; D77-Q79 PolarHBondContact OD1-N 2.86Å; D77-V80 PolarHBondContact N-O 3.04Å; D77-V80 PolarHBondContact OD1-N 2.9Å
78	A	93.3	Very high	97.5	Very high	86 Å²	86	58.2 Å²	58.2	71%	0.711	31%	0.313	S	S	*	.	S	Bend	trans	-66.3	-28.4	-179	0	0	0	0	0	113.6	G55	G55-A78 PolarHBondContact N-O 2.79Å; G55-A78 VanDerWaalsContact N-O 3.17Å
79	Q	95.8	Very high	97.6	Very high	133 Å²	133	53.6 Å²	53.6	62%	0.621	29%	0.288	S	S	*	.	S	Bend	trans	-95.5	-34.6	-175	-63.4	-168.1	-14.6	0	0	113.2	R53 P54 G55 D77	R53-Q79 WeakPolarHBondContact CB-O 3.4Å; R53-Q79 WeakPolarHBondContact CG-O 3.45Å; P54-Q79 CarbonylContact C-O 3.48Å; P54-Q79 WeakPolarHBondContact CA-O 3.35Å; G55-Q79 PolarHBondContact N-O 3.31Å; G55-Q79 VanDerWaalsContact N-O 3.1Å; D77-Q79 VanDerWaalsContact C-N 3.28Å; D77-Q79 PolarHBondContact O-N 2.85Å; D77-Q79 WeakPolarHBondContact OD1-CA 3.49Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.48Å; D77-Q79 PolarHBondContact OD1-N 2.86Å
80	V	97.6	Very high	97.5	Very high	28 Å²	28	60.8 Å²	60.8	17%	0.17	32%	0.322	C	S	.	.			trans	-141.1	143.4	-174.2	66.8	0	0	0	0	111.9	A51 L52 R53 R76 D77	A51-V80 HydrophobicContact CB-CG2 4.24Å; L52-V80 WeakPolarHBondContact O-CA 3.45Å; L52-V80 WeakPolarHBondContact O-CG2 3.47Å; R53-V80 HydrophobicContact CG-CB 4.23Å; R53-V80 HydrophobicContact CG-CG2 4.16Å; R76-V80 WeakPolarHBondContact CA-O 3.5Å; D77-V80 PolarHBondContact N-O 3.04Å; D77-V80 PolarHBondContact OD1-N 2.9Å
81	V	98.1	Very high	97.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.4	160.9	56.7	0	0	0	0	108.8	A51 L52 V57 E73 S75 R76 Y83	A51-V81 WeakPolarHBondContact CA-O 3.41Å; L52-V81 HydrophobicContact CB-CG1 3.73Å; L52-V81 HydrophobicContact CD1-CG1 4.09Å; L52-V81 HydrophobicContact CG-CG1 4.26Å; L52-V81 PolarHBondContact N-O 3.07Å; L52-V81 PolarHBondContact O-N 2.87Å; V57-V81 WeakPolarHBondContact O-CG1 3.36Å; E73-V81 HydrophobicContact CG-CG2 3.94Å; S75-V81 CarbonylContact O-C 3.54Å; S75-V81 WeakPolarHBondContact O-CA 3.4Å; S75-V81 WeakPolarHBondContact O-CG2 3.41Å; R76-V81 HydrophobicContact CB-CB 4.31Å; R76-V81 HydrophobicContact CB-CG2 4.13Å; R76-V81 HydrophobicContact CG-CB 4.15Å; R76-V81 HydrophobicContact CG-CG2 4.34Å; V81-Y83 HydrophobicContact CB-CE2 4.16Å; V81-Y83 HydrophobicContact CG1-CE2 3.65Å; V81-Y83 HydrophobicContact CG2-CD2 4.11Å; V81-Y83 HydrophobicContact CG2-CE1 4.41Å; V81-Y83 HydrophobicContact CG2-CE2 3.41Å; V81-Y83 VanDerWaalsContact CG2-CE2 3.41Å
82	S	98.3	Very high	97.1	Very high	32 Å²	32	60.9 Å²	60.9	22%	0.224	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.5	175.5	72.6	0	0	0	0	111.8	V50 K74 S75	V50-S82 CarbonylContact O-C 3.5Å; V50-S82 VanDerWaalsContact O-CA 3.26Å; V50-S82 WeakPolarHBondContact O-CA 3.43Å; K74-S82 PolarHBondContact N-O 3.39Å; S75-S82 PolarHBondContact N-OG 3.21Å; S75-S82 PolarHBondContact O-N 2.83Å; S75-S82 PolarHBondContact OG-OG 3.1Å
83	Y	98.6	Very high	96.9	Very high	10 Å²	10	59.4 Å²	59.4	4%	0.039	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.5	176.6	-59.8	-93.6	0	0	0	110.7	E49 V50 L52 Q58 A59 L71 E72 E73 R76 V81	E49-Y83 WeakPolarHBondContact CA-O 3.45Å; V50-Y83 PolarHBondContact N-O 3.22Å; V50-Y83 PolarHBondContact O-N 3.01Å; L52-Y83 HydrophobicContact CD1-CD2 4.03Å; L52-Y83 HydrophobicContact CD1-CE2 3.53Å; L52-Y83 HydrophobicContact CG-CD2 4.44Å; L52-Y83 HydrophobicContact CG-CE2 4.29Å; Q58-Y83 WeakPolarHBondContact CA-OH 3.26Å; A59-Y83 HydrophobicContact CB-CE2 4.43Å; A59-Y83 PolarHBondContact N-OH 2.83Å; A59-Y83 WeakPolarHBondContact O-CE1 3.48Å; L71-Y83 HydrophobicContact CB-CD1 4Å; L71-Y83 HydrophobicContact CB-CG 4.2Å; E72-Y83 CarbonylContact O-C 3.55Å; E72-Y83 WeakPolarHBondContact O-CA 3.46Å; E73-Y83 HydrophobicContact CB-CD1 3.94Å; E73-Y83 HydrophobicContact CB-CE1 3.77Å; E73-Y83 HydrophobicContact CG-CE1 4.27Å; R76-Y83 PolarHBondContact NH2-OH 3.29Å; V81-Y83 HydrophobicContact CB-CE2 4.16Å; V81-Y83 HydrophobicContact CG1-CE2 3.65Å; V81-Y83 HydrophobicContact CG2-CD2 4.11Å; V81-Y83 HydrophobicContact CG2-CE1 4.41Å; V81-Y83 HydrophobicContact CG2-CE2 3.41Å; V81-Y83 VanDerWaalsContact CG2-CE2 3.41Å
84	T	98.5	Very high	96.8	Very high	19 Å²	19	60 Å²	60	12%	0.117	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.1	165.6	-155.6	0	0	0	0	111.2	K47 I48 L71 E72 K74	K47-T84 WeakPolarHBondContact CG-OG1 3.37Å; I48-T84 CarbonylContact O-C 3.49Å; I48-T84 WeakPolarHBondContact O-CA 3.35Å; I48-T84 PolarHBondContact O-OG1 2.86Å; I48-T84 VanDerWaalsContact O-OG1 3.11Å; L71-T84 CarbonylContact C-O 3.53Å; L71-T84 WeakPolarHBondContact CA-O 3.29Å; E72-T84 HydrophobicContact CB-CG2 4.29Å; E72-T84 PolarHBondContact N-O 2.81Å; E72-T84 PolarHBondContact O-N 2.82Å; K74-T84 HydrophobicContact CD-CG2 4.33Å; K74-T84 HydrophobicContact CG-CG2 4.31Å
85	G	98.3	Very high	96.8	Very high	5 Å²	5	54.5 Å²	54.5	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	166.3	169.5	0	0	0	0	0	111.1	K47 I48	K47-G85 WeakPolarHBondContact CA-O 3.48Å; I48-G85 PolarHBondContact N-O 2.84Å; I48-G85 PolarHBondContact O-N 2.71Å
86	I	98.4	Very high	96.6	Very high	83 Å²	83	58 Å²	58	43%	0.426	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.5	175.2	-58.1	-60.1	0	0	0	109.4	Q17 K45 Y46 K47 V69	Q17-I86 HydrophobicContact CG-CD1 4.47Å; K45-I86 HydrophobicContact CB-CG2 4.09Å; K45-I86 HydrophobicContact CD-CG2 4.29Å; K45-I86 HydrophobicContact CG-CG2 4.21Å; Y46-I86 WeakPolarHBondContact O-CA 3.32Å; K47-I86 HydrophobicContact CB-CD1 4.19Å; V69-I86 WeakPolarHBondContact CG1-O 3.42Å
87	Y	98.4	Very high	96.3	Very high	6 Å²	6	59.9 Å²	59.9	2%	0.024	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115.3	168.6	174.6	-128.5	0	0	0	110.1	L40 K45 Y46 I64 V67 V69 T89	L40-Y87 HydrophobicContact CD1-CE1 3.97Å; K45-Y87 WeakPolarHBondContact CA-O 3.32Å; Y46-Y87 HydrophobicContact CD2-CD1 4.25Å; Y46-Y87 PolarHBondContact N-O 2.84Å; Y46-Y87 PolarHBondContact O-N 3.22Å; I64-Y87 HydrophobicContact CB-CD2 4.08Å; I64-Y87 HydrophobicContact CB-CE2 3.86Å; I64-Y87 HydrophobicContact CD1-CD1 4.46Å; I64-Y87 HydrophobicContact CD1-CD2 4.41Å; I64-Y87 HydrophobicContact CD1-CG 4.21Å; I64-Y87 HydrophobicContact CG2-CD1 4.46Å; I64-Y87 HydrophobicContact CG2-CD2 4.33Å; I64-Y87 HydrophobicContact CG2-CE1 3.95Å; I64-Y87 HydrophobicContact CG2-CE2 3.83Å; V67-Y87 HydrophobicContact CB-CD2 4.03Å; V67-Y87 HydrophobicContact CB-CE2 3.73Å; V67-Y87 HydrophobicContact CG1-CD2 3.98Å; V67-Y87 HydrophobicContact CG1-CE2 4.16Å; V67-Y87 HydrophobicContact CG2-CD2 4.45Å; V67-Y87 HydrophobicContact CG2-CE2 3.79Å; V69-Y87 HydrophobicContact CG2-CD2 4.13Å; Y87-T89 HydrophobicContact CD1-CG2 3.99Å; Y87-T89 HydrophobicContact CE1-CG2 3.43Å; Y87-T89 VanDerWaalsContact CE1-CG2 3.43Å
88	D	97.6	Very high	96	Very high	42 Å²	42	57.4 Å²	57.4	23%	0.225	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.3	176.2	-156	-23.9	0	0	0	110.4	K45 E90	K45-D88 WeakPolarHBondContact CE-OD2 3.44Å; K45-D88 HydrophobicContact CG-CB 4.39Å; K45-D88 IonicContact NZ-OD2 3.13Å; D88-E90 WeakPolarHBondContact OD1-CB 3.3Å; D88-E90 PolarHBondContact OD1-N 2.83Å
89	T	97.4	Very high	96.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.334	C	S	.	.			trans	-104.8	14.3	176.3	60.8	0	0	0	0	112	L41 G43 A44 Y46 Y87 G91 V92 F123	L41-T89 PolarHBondContact O-OG1 3.01Å; G43-T89 PolarHBondContact N-O 2.81Å; G43-T89 PolarHBondContact N-OG1 2.88Å; A44-T89 PolarHBondContact N-OG1 3.11Å; A44-T89 PolarHBondContact O-N 3Å; A44-T89 PolarHBondContact O-OG1 3.28Å; Y46-T89 HydrophobicContact CD2-CG2 4.01Å; Y46-T89 HydrophobicContact CE2-CG2 3.92Å; Y87-T89 HydrophobicContact CD1-CG2 3.99Å; Y87-T89 HydrophobicContact CE1-CG2 3.43Å; Y87-T89 VanDerWaalsContact CE1-CG2 3.43Å; T89-G91 PolarHBondContact O-N 2.85Å; T89-V92 WeakPolarHBondContact O-CB 3.2Å; T89-V92 PolarHBondContact O-N 2.79Å; T89-V92 VanDerWaalsContact O-N 3.12Å; T89-F123 HydrophobicContact CG2-CE1 3.9Å
90	E	95.6	Very high	96	Very high	151 Å²	151	53.6 Å²	53.6	71%	0.706	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	134.8	166.9	-172.6	166.9	-160.3	0	0	110.9	D88 V92	D88-E90 WeakPolarHBondContact OD1-CB 3.3Å; D88-E90 PolarHBondContact OD1-N 2.83Å; E90-V92 PolarHBondContact O-N 2.83Å; E90-V92 VanDerWaalsContact O-N 3.16Å
91	G	92.2	Very high	95.9	Very high	80 Å²	80	54.9 Å²	54.9	83%	0.825	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	-9.9	-175.9	0	0	0	0	0	115.8	T89 P93	T89-G91 PolarHBondContact O-N 2.85Å; G91-P93 WeakPolarHBondContact O-CD 3.31Å
92	V	95.2	Very high	95.8	Very high	30 Å²	30	59.5 Å²	59.5	18%	0.182	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-73	123.7	176.7	-178.9	0	0	0	0	110	T42 T89 E90 F123	T42-V92 WeakPolarHBondContact CB-O 3.45Å; T42-V92 WeakPolarHBondContact CG2-O 3.29Å; T89-V92 WeakPolarHBondContact O-CB 3.2Å; T89-V92 PolarHBondContact O-N 2.79Å; T89-V92 VanDerWaalsContact O-N 3.12Å; E90-V92 PolarHBondContact O-N 2.83Å; E90-V92 VanDerWaalsContact O-N 3.16Å; V92-F123 HydrophobicContact CG1-CD1 3.95Å; V92-F123 HydrophobicContact CG1-CD2 3.9Å; V92-F123 HydrophobicContact CG1-CE1 3.93Å; V92-F123 HydrophobicContact CG1-CE2 3.88Å; V92-F123 HydrophobicContact CG1-CG 3.93Å; V92-F123 HydrophobicContact CG1-CZ 3.89Å
93	P	94.6	Very high	95.8	Very high	89 Å²	89	58.8 Å²	58.8	58%	0.578	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-72.8	145	179.5	29.6	-34.5	0	0	0	111.6	G91	G91-P93 WeakPolarHBondContact O-CD 3.31Å
94	H	95.9	Very high	95.7	Very high	105 Å²	105	63.7 Å²	63.7	49%	0.486	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-67.7	146.9	176.1	71.2	-86.5	0	0	0	111.1	T42 N125	T42-H94 HydrophobicContact CG2-CB 3.91Å; H94-N125 HydrophobicContact CB-CB 4.34Å
95	T	96.9	Very high	95.7	Very high	8 Å²	8	62.9 Å²	62.9	5%	0.049	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-82	133.4	179.2	-49.6	0	0	0	0	110.5	E99 Q101 K122 F123	T95-E99 HydrophobicContact CG2-CB 3.75Å; T95-E99 WeakPolarHBondContact CG2-O 3.3Å; T95-Q101 HydrophobicContact CG2-CG 4.1Å; T95-K122 HydrophobicContact CG2-CG 4.42Å; T95-F123 PolarHBondContact N-O 3.26Å; T95-F123 PolarHBondContact OG1-N 3.07Å
96	K	95.1	Very high	95.7	Very high	139 Å²	139	65.1 Å²	65.1	60%	0.604	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-61.4	161.7	179.5	-63.7	177.5	-179.6	172.9	0	112.3	E99 K122	K96-E99 HydrophobicContact CB-CG 4.44Å; K96-E99 PolarHBondContact O-N 2.53Å; K96-K122 PolarHBondContact O-NZ 2.9Å
97	S	91.2	Very high	95.6	Very high	122 Å²	122	61.1 Å²	61.1	85%	0.853	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	144.1	174.9	-167.7	0	0	0	0	111	E99	S97-E99 PolarHBondContact O-N 2.89Å; S97-E99 VanDerWaalsContact O-N 3.11Å
98	G	90	Very high	95.4	Very high	37 Å²	37	65.3 Å²	65.3	38%	0.381	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-18.6	-177.7	0	0	0	0	0	115.7	F32	F32-G98 VanDerWaalsContact CE1-O 3.31Å; F32-G98 WeakPolarHBondContact CE1-O 3.32Å
99	E	93.9	Very high	95.2	Very high	95 Å²	95	64 Å²	64	44%	0.444	36%	0.361	S	S	.	.			trans	-95.5	160.8	-175.7	-68.1	175.7	-169.6	0	0	113.8	T95 K96 S97 K122	T95-E99 HydrophobicContact CG2-CB 3.75Å; T95-E99 WeakPolarHBondContact CG2-O 3.3Å; K96-E99 HydrophobicContact CB-CG 4.44Å; K96-E99 PolarHBondContact O-N 2.53Å; S97-E99 PolarHBondContact O-N 2.89Å; S97-E99 VanDerWaalsContact O-N 3.11Å; E99-K122 PolarHBondContact O-NZ 2.78Å
100	R	95	Very high	94.8	Very high	44 Å²	44	68.2 Å²	68.2	17%	0.166	38%	0.383	C	S	.	.			trans	-135.8	147.6	170.7	-60.2	-61	-177.3	-83.2	-5	109	D28 F32 T37 Q120	D28-R100 IonicContact OD1-NH2 3.73Å; D28-R100 PolarHBondContact OD1-NH2 2.87Å; D28-R100 IonicContact OD2-CZ 2.84Å; D28-R100 IonicContact OD2-NE 3.85Å; D28-R100 PolarHBondContact OD2-NE 3.48Å; D28-R100 IonicContact OD2-NH2 3.7Å; D28-R100 PolarHBondContact OD2-NH2 2.83Å; F32-R100 HydrophobicContact CB-CG 4.49Å; F32-R100 HydrophobicContact CD1-CG 4.01Å; F32-R100 HydrophobicContact CD2-CG 3.79Å; F32-R100 HydrophobicContact CE1-CG 4.12Å; F32-R100 HydrophobicContact CE2-CG 3.93Å; F32-R100 HydrophobicContact CG-CG 3.85Å; F32-R100 HydrophobicContact CZ-CG 4.08Å; T37-R100 VanDerWaalsContact CG2-CD 3.44Å; T37-R100 VanDerWaalsContact OG1-CD 3.32Å; T37-R100 WeakPolarHBondContact OG1-CD 3.25Å; T37-R100 PolarHBondContact OG1-NE 2.87Å; R100-Q120 HydrophobicContact CB-CG 3.64Å; R100-Q120 HydrophobicContact CG-CG 4Å
101	Q	95.3	Very high	94.3	Very high	55 Å²	55	66.3 Å²	66.3	26%	0.257	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.6	177.5	-71	-175.7	-17.4	0	0	110.4	T95 I103 V121	T95-Q101 HydrophobicContact CG2-CG 4.1Å; Q101-I103 HydrophobicContact CB-CD1 4.06Å; Q101-I103 HydrophobicContact CB-CG1 4.46Å; Q101-I103 PolarHBondContact O-N 2.86Å; Q101-V121 PolarHBondContact N-O 3.49Å; Q101-V121 PolarHBondContact O-N 2.86Å
102	P	96	Very high	94.2	Very high	98 Å²	98	62.9 Å²	62.9	64%	0.636	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	113	167.1	31.1	-30.3	0	0	0	109.2	V118	P102-V118 HydrophobicContact CB-CG1 3.6Å
103	I	97.2	Very high	94	Very high	17 Å²	17	62.1 Å²	62.1	9%	0.087	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.9	-179.6	-60.1	-55.8	0	0	0	108.5	I64 Q101 V105 V118 W119 V121 F123	I64-I103 HydrophobicContact CG2-CG2 3.75Å; Q101-I103 HydrophobicContact CB-CD1 4.06Å; Q101-I103 HydrophobicContact CB-CG1 4.46Å; Q101-I103 PolarHBondContact O-N 2.86Å; I103-V105 HydrophobicContact CG2-CG2 4.33Å; I103-V105 PolarHBondContact O-N 2.77Å; I103-V118 CarbonylContact O-C 3.54Å; I103-V118 WeakPolarHBondContact O-CA 3.2Å; I103-W119 PolarHBondContact N-O 2.85Å; I103-W119 PolarHBondContact O-N 3.11Å; I103-V121 HydrophobicContact CB-CG2 3.98Å; I103-V121 HydrophobicContact CG1-CB 3.75Å; I103-V121 HydrophobicContact CG1-CG2 3.59Å; I103-F123 HydrophobicContact CD1-CE2 3.92Å; I103-F123 HydrophobicContact CG1-CE2 4.15Å
104	Q	97.4	Very high	93.9	Very high	113 Å²	113	59.8 Å²	59.8	53%	0.528	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	129.3	172.5	-66.5	-62.7	-29.3	0	0	109.3	G65 V118	G65-Q104 PolarHBondContact N-O 3.34Å; Q104-V118 VanDerWaalsContact NE2-CG2 3.31Å
105	V	98.1	Very high	94	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.8	177.2	174.1	0	0	0	0	108.8	M62 G63 I64 I103 E116 T117 W119	M62-V105 HydrophobicContact CE-CG1 3.25Å; G63-V105 CarbonylContact O-C 3.59Å; G63-V105 VanDerWaalsContact O-CA 3.24Å; G63-V105 WeakPolarHBondContact O-CA 3.48Å; I64-V105 HydrophobicContact CG1-CG2 4.32Å; I64-V105 HydrophobicContact CG2-CG2 4.23Å; I103-V105 HydrophobicContact CG2-CG2 4.33Å; I103-V105 PolarHBondContact O-N 2.77Å; V105-E116 CarbonylContact O-C 3.6Å; V105-E116 WeakPolarHBondContact O-CA 3.4Å; V105-T117 HydrophobicContact CB-CG2 3.86Å; V105-T117 HydrophobicContact CG1-CG2 4.16Å; V105-T117 PolarHBondContact N-O 2.92Å; V105-T117 PolarHBondContact O-N 2.86Å; V105-T117 VanDerWaalsContact O-O 3.1Å; V105-W119 HydrophobicContact CB-CD2 4.39Å; V105-W119 HydrophobicContact CG1-CH2 4.47Å; V105-W119 HydrophobicContact CG1-CZ2 3.99Å; V105-W119 HydrophobicContact CG2-CB 4.29Å; V105-W119 HydrophobicContact CG2-CD2 3.5Å; V105-W119 VanDerWaalsContact CG2-CD2 3.5Å; V105-W119 HydrophobicContact CG2-CE3 3.76Å; V105-W119 HydrophobicContact CG2-CG 3.74Å; V105-W119 HydrophobicContact CG2-CZ2 4.31Å; V105-W119 HydrophobicContact CG2-CZ3 4.27Å
106	N	97.4	Very high	94	Very high	52 Å²	52	59.4 Å²	59.4	28%	0.278	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	159.4	175.4	60.9	57.1	0	0	0	111.8	M62 G63 V114 F115 E116	M62-N106 CarbonylContact C-O 3.53Å; M62-N106 VanDerWaalsContact CA-O 3.27Å; M62-N106 WeakPolarHBondContact CA-O 3.35Å; M62-N106 WeakPolarHBondContact CG-O 3.15Å; G63-N106 WeakPolarHBondContact CA-OD1 3.29Å; G63-N106 PolarHBondContact N-O 2.82Å; G63-N106 PolarHBondContact N-OD1 2.71Å; G63-N106 PolarHBondContact O-N 2.84Å; N106-V114 HydrophobicContact CB-CG1 4.12Å; N106-F115 CarbonylContact C-O 3.49Å; N106-F115 WeakPolarHBondContact CA-O 3.43Å; N106-F115 WeakPolarHBondContact CB-O 3.46Å; N106-E116 HydrophobicContact CB-CG 4.05Å
107	M	97.3	Very high	94	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	130	174.3	-174.8	177.7	-58.9	0	0	109.7	I10 V50 L52 A59 T61 M62 L71 F109 V114 F115	I10-M107 HydrophobicContact CG2-CE 4.33Å; V50-M107 HydrophobicContact CB-CE 4.45Å; V50-M107 HydrophobicContact CG1-CE 3.69Å; V50-M107 HydrophobicContact CG1-SD 4.13Å; V50-M107 HydrophobicContact CG2-CE 3.91Å; L52-M107 HydrophobicContact CD2-SD 4.12Å; A59-M107 HydrophobicContact CB-CG 3.86Å; A59-M107 HydrophobicContact CB-SD 3.69Å; T61-M107 WeakPolarHBondContact O-CA 3.44Å; T61-M107 WeakPolarHBondContact O-CG 3.27Å; M62-M107 HydrophobicContact CB-CE 4.38Å; M62-M107 HydrophobicContact CE-CE 4.49Å; M62-M107 HydrophobicContact CG-CE 4.17Å; M62-M107 HydrophobicContact SD-CE 3.87Å; L71-M107 HydrophobicContact CD1-CE 4.23Å; L71-M107 HydrophobicContact CD1-CG 4.34Å; L71-M107 HydrophobicContact CD1-SD 4.21Å; M107-F109 HydrophobicContact CB-CE2 3.8Å; M107-F109 HydrophobicContact CB-CZ 4.34Å; M107-F109 HydrophobicContact CG-CD2 4.35Å; M107-F109 HydrophobicContact CG-CE2 3.7Å; M107-F109 HydrophobicContact CG-CZ 3.92Å; M107-F109 WeakPolarHBondContact O-CD2 3.26Å; M107-F109 WeakPolarHBondContact O-CE2 3.4Å; M107-F109 HydrophobicContact SD-CE1 4.21Å; M107-F109 HydrophobicContact SD-CE2 3.97Å; M107-F109 HydrophobicContact SD-CZ 3.54Å; M107-F109 VanDerWaalsContact SD-CZ 3.54Å; M107-V114 WeakPolarHBondContact O-CA 3.28Å; M107-F115 HydrophobicContact CB-CB 4.28Å; M107-F115 HydrophobicContact CB-CD1 4.22Å; M107-F115 PolarHBondContact N-O 2.97Å; M107-F115 PolarHBondContact O-N 3.45Å
108	Q	93.4	Very high	94.3	Very high	94 Å²	94	49.8 Å²	49.8	44%	0.439	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.9	179.4	-63.1	-174.9	27.3	0	0	110.4	A59 T60 T61	A59-Q108 VanDerWaalsContact CA-O 3.26Å; A59-Q108 WeakPolarHBondContact CA-O 3.47Å; T60-Q108 PolarHBondContact N-O 3.02Å; T60-Q108 VanDerWaalsContact N-O 3.07Å; T61-Q108 PolarHBondContact O-N 2.91Å
109	F	93.7	Very high	94.6	Very high	15 Å²	15	48.3 Å²	48.3	7%	0.066	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.5	175.1	-59.7	-104.4	0	0	0	110.6	I10 L52 V57 Q58 A59 M107 I112 G113 F115 M154	I10-F109 HydrophobicContact CD1-CE2 4.42Å; I10-F109 HydrophobicContact CD1-CZ 3.81Å; I10-F109 HydrophobicContact CG1-CZ 4.39Å; L52-F109 HydrophobicContact CD1-CE1 3.86Å; L52-F109 HydrophobicContact CD2-CE1 4.14Å; L52-F109 HydrophobicContact CD2-CZ 4.32Å; V57-F109 HydrophobicContact CG1-CD1 3.28Å; V57-F109 HydrophobicContact CG1-CE1 3.42Å; V57-F109 VanDerWaalsContact CG1-CE1 3.42Å; Q58-F109 WeakPolarHBondContact O-CA 3.5Å; Q58-F109 WeakPolarHBondContact O-CB 3.45Å; Q58-F109 WeakPolarHBondContact O-CD1 3.43Å; A59-F109 HydrophobicContact CB-CD1 4.11Å; A59-F109 HydrophobicContact CB-CE1 4.15Å; M107-F109 HydrophobicContact CB-CE2 3.8Å; M107-F109 HydrophobicContact CB-CZ 4.34Å; M107-F109 HydrophobicContact CG-CD2 4.35Å; M107-F109 HydrophobicContact CG-CE2 3.7Å; M107-F109 HydrophobicContact CG-CZ 3.92Å; M107-F109 WeakPolarHBondContact O-CD2 3.26Å; M107-F109 WeakPolarHBondContact O-CE2 3.4Å; M107-F109 HydrophobicContact SD-CE1 4.21Å; M107-F109 HydrophobicContact SD-CE2 3.97Å; M107-F109 HydrophobicContact SD-CZ 3.54Å; M107-F109 VanDerWaalsContact SD-CZ 3.54Å; F109-I112 HydrophobicContact CB-CD1 4.34Å; F109-I112 HydrophobicContact CB-CG1 3.55Å; F109-I112 HydrophobicContact CD1-CD1 3.97Å; F109-I112 HydrophobicContact CD1-CG1 4.12Å; F109-I112 HydrophobicContact CG-CD1 4.26Å; F109-I112 HydrophobicContact CG-CG1 3.96Å; F109-G113 VanDerWaalsContact CB-O 3.32Å; F109-G113 WeakPolarHBondContact CB-O 3.42Å; F109-G113 WeakPolarHBondContact CD2-O 3.48Å; F109-G113 PolarHBondContact N-O 2.82Å; F109-G113 VanDerWaalsContact N-O 3.13Å; F109-F115 HydrophobicContact CE2-CB 3.66Å; F109-F115 HydrophobicContact CZ-CB 4.43Å; F109-M154 HydrophobicContact CB-CE 4.18Å; F109-M154 HydrophobicContact CD1-CE 3.92Å; F109-M154 HydrophobicContact CD2-CE 3.3Å; F109-M154 HydrophobicContact CE1-CE 4.03Å; F109-M154 HydrophobicContact CE2-CE 3.5Å; F109-M154 VanDerWaalsContact CE2-CE 3.5Å; F109-M154 HydrophobicContact CE2-SD 4.19Å; F109-M154 HydrophobicContact CG-CE 3.54Å; F109-M154 HydrophobicContact CZ-CE 3.85Å; F109-M154 HydrophobicContact CZ-SD 4.39Å
110	N	89.5	Confident	94.8	Very high	87 Å²	87	44.5 Å²	44.5	47%	0.465	23%	0.233	S	C	.	.	S	Bend	trans	-66.3	-42.6	-174.6	-69.4	-13.6	0	0	0	112.9	Q58 T60	Q58-N110 HydrophobicContact CB-CB 4.45Å; Q58-N110 PolarHBondContact O-N 3.06Å; Q58-N110 PolarHBondContact OE1-ND2 2.87Å; T60-N110 VanDerWaalsContact CG2-OD1 3.23Å; T60-N110 WeakPolarHBondContact CG2-OD1 3.37Å
111	D	86.2	Confident	94.9	Very high	112 Å²	112	42.4 Å²	42.4	60%	0.599	23%	0.225	S	C	*	.	S	Bend	trans	-119	-7.1	-165.9	-59.8	-56.4	0	0	0	114.8
112	I	89.5	Confident	95	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.041	22%	0.216	C	C	.	.	S	Bend	trans	-133.5	18.5	-167.3	56.4	168.9	0	0	0	113.6	I4 V8 V57 F109 P147 M154	I4-I112 HydrophobicContact CG2-CG2 3.94Å; V8-I112 HydrophobicContact CG2-CD1 3.79Å; V57-I112 HydrophobicContact CB-CD1 4.49Å; V57-I112 HydrophobicContact CG1-CD1 3.68Å; V57-I112 HydrophobicContact CG2-CD1 4.02Å; F109-I112 HydrophobicContact CB-CD1 4.34Å; F109-I112 HydrophobicContact CB-CG1 3.55Å; F109-I112 HydrophobicContact CD1-CD1 3.97Å; F109-I112 HydrophobicContact CD1-CG1 4.12Å; F109-I112 HydrophobicContact CG-CD1 4.26Å; F109-I112 HydrophobicContact CG-CG1 3.96Å; I112-P147 HydrophobicContact CB-CB 4.29Å; I112-P147 HydrophobicContact CB-CG 4.03Å; I112-P147 HydrophobicContact CG2-CG 4.21Å; I112-M154 HydrophobicContact CB-CE 4.07Å; I112-M154 HydrophobicContact CD1-CE 3.25Å; I112-M154 HydrophobicContact CD1-SD 4.48Å; I112-M154 HydrophobicContact CG1-CE 3.38Å
113	G	90	Very high	95.1	Very high	13 Å²	13	36 Å²	36	13%	0.134	19%	0.186	C	C	.	.			trans	82.5	-153.1	172.6	0	0	0	0	0	114	F109 R151	F109-G113 VanDerWaalsContact CB-O 3.32Å; F109-G113 WeakPolarHBondContact CB-O 3.42Å; F109-G113 WeakPolarHBondContact CD2-O 3.48Å; F109-G113 PolarHBondContact N-O 2.82Å; F109-G113 VanDerWaalsContact N-O 3.13Å; G113-R151 WeakPolarHBondContact CA-O 3.16Å; G113-R151 PolarHBondContact N-O 2.95Å; G113-R151 VanDerWaalsContact N-O 3.17Å
114	V	93.9	Very high	95.1	Very high	41 Å²	41	36.9 Å²	36.9	25%	0.248	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139	-176.8	-173.3	0	0	0	0	110	N106 M107 E116 S152 L153 M154	N106-V114 HydrophobicContact CB-CG1 4.12Å; M107-V114 WeakPolarHBondContact O-CA 3.28Å; V114-E116 HydrophobicContact CG1-CG 3.71Å; V114-S152 PolarHBondContact N-O 3.21Å; V114-S152 VanDerWaalsContact N-O 3.08Å; V114-L153 CarbonylContact O-C 3.52Å; V114-L153 WeakPolarHBondContact O-CA 3.18Å; V114-M154 PolarHBondContact O-N 3.14Å
115	F	96.5	Very high	95	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.1	162.4	165.2	-97.9	0	0	0	108.6	I10 N106 M107 F109 T117 Y143 M154 I156	I10-F115 HydrophobicContact CD1-CB 4.04Å; I10-F115 HydrophobicContact CD1-CD1 4.3Å; I10-F115 HydrophobicContact CD1-CD2 3.57Å; I10-F115 HydrophobicContact CD1-CE2 4.04Å; I10-F115 HydrophobicContact CD1-CG 3.71Å; N106-F115 CarbonylContact C-O 3.49Å; N106-F115 WeakPolarHBondContact CA-O 3.43Å; N106-F115 WeakPolarHBondContact CB-O 3.46Å; M107-F115 HydrophobicContact CB-CB 4.28Å; M107-F115 HydrophobicContact CB-CD1 4.22Å; M107-F115 PolarHBondContact N-O 2.97Å; M107-F115 PolarHBondContact O-N 3.45Å; F109-F115 HydrophobicContact CE2-CB 3.66Å; F109-F115 HydrophobicContact CZ-CB 4.43Å; F115-T117 HydrophobicContact CE1-CG2 3.63Å; F115-T117 HydrophobicContact CZ-CG2 3.62Å; F115-Y143 HydrophobicContact CE1-CE2 4.5Å; F115-Y143 AromaticContact CE2-CD1 3.93Å; F115-Y143 HydrophobicContact CE2-CD1 3.93Å; F115-Y143 HydrophobicContact CE2-CD2 4.22Å; F115-Y143 HydrophobicContact CE2-CE1 4.48Å; F115-Y143 AromaticContact CE2-CG 3.77Å; F115-Y143 HydrophobicContact CE2-CG 3.77Å; F115-Y143 AromaticContact CZ-CD1 3.73Å; F115-Y143 HydrophobicContact CZ-CD1 3.73Å; F115-Y143 AromaticContact CZ-CD2 3.69Å; F115-Y143 HydrophobicContact CZ-CD2 3.69Å; F115-Y143 AromaticContact CZ-CE1 3.87Å; F115-Y143 HydrophobicContact CZ-CE1 3.87Å; F115-Y143 AromaticContact CZ-CE2 3.87Å; F115-Y143 HydrophobicContact CZ-CE2 3.87Å; F115-Y143 AromaticContact CZ-CG 3.63Å; F115-Y143 HydrophobicContact CZ-CG 3.63Å; F115-Y143 AromaticContact CZ-CZ 3.96Å; F115-M154 HydrophobicContact CB-SD 4.3Å; F115-I156 HydrophobicContact CD2-CD1 4.3Å; F115-I156 HydrophobicContact CD2-CG1 4.29Å; F115-I156 HydrophobicContact CE2-CD1 3.48Å; F115-I156 VanDerWaalsContact CE2-CD1 3.48Å; F115-I156 HydrophobicContact CE2-CG1 3.75Å; F115-I156 HydrophobicContact CZ-CD1 3.97Å
116	E	96.6	Very high	94.7	Very high	103 Å²	103	40.7 Å²	40.7	48%	0.481	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.7	177.4	-58.6	-171.7	144.1	0	0	110.7	V105 N106 V114 L153 I156	V105-E116 CarbonylContact O-C 3.6Å; V105-E116 WeakPolarHBondContact O-CA 3.4Å; N106-E116 HydrophobicContact CB-CG 4.05Å; V114-E116 HydrophobicContact CG1-CG 3.71Å; E116-L153 HydrophobicContact CB-CD1 4.4Å; E116-L153 HydrophobicContact CG-CD1 4.02Å; E116-I156 WeakPolarHBondContact O-CD1 3.39Å
117	T	97	Very high	94.4	Very high	19 Å²	19	46 Å²	46	12%	0.117	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	173.7	175.4	-168.2	0	0	0	0	110.9	V105 F115 Y143	V105-T117 HydrophobicContact CB-CG2 3.86Å; V105-T117 HydrophobicContact CG1-CG2 4.16Å; V105-T117 PolarHBondContact N-O 2.92Å; V105-T117 PolarHBondContact O-N 2.86Å; V105-T117 VanDerWaalsContact O-O 3.1Å; F115-T117 HydrophobicContact CE1-CG2 3.63Å; F115-T117 HydrophobicContact CZ-CG2 3.62Å; T117-Y143 HydrophobicContact CG2-CE1 4.21Å
118	V	96.6	Very high	94.2	Very high	41 Å²	41	51 Å²	51	25%	0.248	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	117.1	175.4	-177.1	0	0	0	0	109.9	P102 I103 Q104	P102-V118 HydrophobicContact CB-CG1 3.6Å; I103-V118 CarbonylContact O-C 3.54Å; I103-V118 WeakPolarHBondContact O-CA 3.2Å; Q104-V118 VanDerWaalsContact NE2-CG2 3.31Å
119	W	97	Very high	94.2	Very high	6 Å²	6	51.5 Å²	51.5	2%	0.023	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.3	170	-66.5	-3.5	0	0	0	110.4	V12 L14 I38 M62 I64 I103 V105 V121 I141 Y143	V12-W119 HydrophobicContact CB-CZ2 4.39Å; V12-W119 HydrophobicContact CG1-CH2 3.85Å; V12-W119 HydrophobicContact CG1-CZ2 4.11Å; L14-W119 HydrophobicContact CD1-CZ3 4.15Å; I38-W119 HydrophobicContact CD1-CB 4.06Å; I38-W119 HydrophobicContact CD1-CD2 3.69Å; I38-W119 HydrophobicContact CD1-CE3 3.63Å; I38-W119 HydrophobicContact CD1-CG 3.91Å; I38-W119 HydrophobicContact CD1-CZ3 4.34Å; M62-W119 HydrophobicContact CE-CH2 3.57Å; M62-W119 HydrophobicContact CE-CZ2 3.67Å; I64-W119 HydrophobicContact CD1-CH2 4.27Å; I64-W119 HydrophobicContact CD1-CZ3 4.02Å; I103-W119 PolarHBondContact N-O 2.85Å; I103-W119 PolarHBondContact O-N 3.11Å; V105-W119 HydrophobicContact CB-CD2 4.39Å; V105-W119 HydrophobicContact CG1-CH2 4.47Å; V105-W119 HydrophobicContact CG1-CZ2 3.99Å; V105-W119 HydrophobicContact CG2-CB 4.29Å; V105-W119 HydrophobicContact CG2-CD2 3.5Å; V105-W119 VanDerWaalsContact CG2-CD2 3.5Å; V105-W119 HydrophobicContact CG2-CE3 3.76Å; V105-W119 HydrophobicContact CG2-CG 3.74Å; V105-W119 HydrophobicContact CG2-CZ2 4.31Å; V105-W119 HydrophobicContact CG2-CZ3 4.27Å; W119-V121 HydrophobicContact CB-CG2 3.94Å; W119-I141 HydrophobicContact CD2-CD1 4.46Å; W119-I141 HydrophobicContact CZ2-CD1 4.39Å; W119-Y143 AromaticContact NE1-CZ 3.89Å; W119-Y143 PolarHBondContact NE1-OH 2.9Å
120	Q	96.6	Very high	94.2	Very high	14 Å²	14	55 Å²	55	7%	0.065	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.9	165.6	-177.7	174	-83.9	0	0	109.2	Q34 R36 T37 I38 R100	Q34-Q120 HydrophobicContact CB-CB 3.68Å; Q34-Q120 HydrophobicContact CB-CG 4.43Å; Q34-Q120 HydrophobicContact CG-CB 3.94Å; Q34-Q120 PolarHBondContact O-NE2 3.28Å; Q34-Q120 PolarHBondContact O-OE1 2.91Å; R36-Q120 WeakPolarHBondContact O-CB 3.41Å; R36-Q120 PolarHBondContact O-NE2 3.32Å; T37-Q120 CarbonylContact C-O 3.58Å; T37-Q120 VanDerWaalsContact CA-O 3.3Å; T37-Q120 WeakPolarHBondContact CA-O 3.49Å; T37-Q120 PolarHBondContact OG1-NE2 3.28Å; I38-Q120 PolarHBondContact N-O 3.47Å; R100-Q120 HydrophobicContact CB-CG 3.64Å; R100-Q120 HydrophobicContact CG-CG 4Å
121	V	97.4	Very high	94.3	Very high	1 Å²	1	54 Å²	54	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.6	-174	-176.6	0	0	0	0	110.5	I38 L40 Q101 I103 W119 F123	I38-V121 HydrophobicContact CB-CG2 4.38Å; I38-V121 CarbonylContact O-C 3.49Å; I38-V121 VanDerWaalsContact O-CA 3.3Å; I38-V121 WeakPolarHBondContact O-CA 3.21Å; L40-V121 HydrophobicContact CB-CG1 4.38Å; L40-V121 HydrophobicContact CD1-CG1 3.88Å; L40-V121 HydrophobicContact CG-CG1 4.05Å; Q101-V121 PolarHBondContact N-O 3.49Å; Q101-V121 PolarHBondContact O-N 2.86Å; I103-V121 HydrophobicContact CB-CG2 3.98Å; I103-V121 HydrophobicContact CG1-CB 3.75Å; I103-V121 HydrophobicContact CG1-CG2 3.59Å; W119-V121 HydrophobicContact CB-CG2 3.94Å; V121-F123 HydrophobicContact CB-CE2 4.21Å; V121-F123 HydrophobicContact CG1-CD1 4.41Å; V121-F123 HydrophobicContact CG1-CD2 3.97Å; V121-F123 HydrophobicContact CG1-CE1 4.12Å; V121-F123 HydrophobicContact CG1-CE2 3.65Å; V121-F123 HydrophobicContact CG1-CG 4.35Å; V121-F123 HydrophobicContact CG1-CZ 3.73Å
122	K	97.4	Very high	94.7	Very high	16 Å²	16	49 Å²	49	7%	0.07	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.7	162.5	-172	169.1	-171.7	65.2	0	109.7	T37 I38 L40 T95 K96 E99 Y124	T37-K122 HydrophobicContact CG2-CB 3.76Å; I38-K122 PolarHBondContact O-N 3.2Å; L40-K122 PolarHBondContact N-O 2.78Å; T95-K122 HydrophobicContact CG2-CG 4.42Å; K96-K122 PolarHBondContact O-NZ 2.9Å; E99-K122 PolarHBondContact O-NZ 2.78Å; K122-Y124 HydrophobicContact CB-CE2 3.94Å; K122-Y124 HydrophobicContact CD-CE1 4.28Å; K122-Y124 HydrophobicContact CD-CE2 3.77Å; K122-Y124 WeakPolarHBondContact CD-OH 3.43Å; K122-Y124 HydrophobicContact CG-CD2 4.17Å; K122-Y124 HydrophobicContact CG-CE2 3.67Å; K122-Y124 WeakPolarHBondContact O-CD2 3.43Å
123	F	97.8	Very high	94.9	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.4	173.2	-68	-78.9	0	0	0	110.6	L40 T42 T89 V92 T95 I103 V121	L40-F123 HydrophobicContact CB-CD1 3.79Å; L40-F123 HydrophobicContact CB-CE1 3.79Å; L40-F123 HydrophobicContact CD1-CE1 3.77Å; L40-F123 HydrophobicContact CD1-CZ 4.2Å; L40-F123 HydrophobicContact CG-CE1 4.39Å; L40-F123 CarbonylContact O-C 3.55Å; L40-F123 VanDerWaalsContact O-CA 3.28Å; L40-F123 WeakPolarHBondContact O-CA 3.28Å; T42-F123 HydrophobicContact CG2-CB 3.77Å; T42-F123 HydrophobicContact CG2-CD1 4.49Å; T42-F123 HydrophobicContact CG2-CG 4.47Å; T89-F123 HydrophobicContact CG2-CE1 3.9Å; V92-F123 HydrophobicContact CG1-CD1 3.95Å; V92-F123 HydrophobicContact CG1-CD2 3.9Å; V92-F123 HydrophobicContact CG1-CE1 3.93Å; V92-F123 HydrophobicContact CG1-CE2 3.88Å; V92-F123 HydrophobicContact CG1-CG 3.93Å; V92-F123 HydrophobicContact CG1-CZ 3.89Å; T95-F123 PolarHBondContact N-O 3.26Å; T95-F123 PolarHBondContact OG1-N 3.07Å; I103-F123 HydrophobicContact CD1-CE2 3.92Å; I103-F123 HydrophobicContact CG1-CE2 4.15Å; V121-F123 HydrophobicContact CB-CE2 4.21Å; V121-F123 HydrophobicContact CG1-CD1 4.41Å; V121-F123 HydrophobicContact CG1-CD2 3.97Å; V121-F123 HydrophobicContact CG1-CE1 4.12Å; V121-F123 HydrophobicContact CG1-CE2 3.65Å; V121-F123 HydrophobicContact CG1-CG 4.35Å; V121-F123 HydrophobicContact CG1-CZ 3.73Å
124	Y	97.5	Very high	94.9	Very high	35 Å²	35	60 Å²	60	14%	0.137	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	143.6	175.9	-70.2	-94.8	0	0	0	109.4	K39 L40 L41 T42 K122 K128 H131 C132	K39-Y124 HydrophobicContact CB-CD2 4.31Å; K39-Y124 HydrophobicContact CB-CE2 3.91Å; K39-Y124 HydrophobicContact CD-CE2 3.92Å; K39-Y124 HydrophobicContact CG-CE2 3.87Å; L40-Y124 PolarHBondContact O-N 2.97Å; L41-Y124 CarbonylContact C-O 3.56Å; L41-Y124 VanDerWaalsContact CA-O 3.25Å; L41-Y124 WeakPolarHBondContact CA-O 3.11Å; T42-Y124 PolarHBondContact N-O 2.92Å; T42-Y124 PolarHBondContact OG1-O 3.07Å; K122-Y124 HydrophobicContact CB-CE2 3.94Å; K122-Y124 HydrophobicContact CD-CE1 4.28Å; K122-Y124 HydrophobicContact CD-CE2 3.77Å; K122-Y124 WeakPolarHBondContact CD-OH 3.43Å; K122-Y124 HydrophobicContact CG-CD2 4.17Å; K122-Y124 HydrophobicContact CG-CE2 3.67Å; K122-Y124 WeakPolarHBondContact O-CD2 3.43Å; Y124-K128 HydrophobicContact CD1-CB 4.04Å; Y124-H131 HydrophobicContact CD1-CB 4.17Å; Y124-H131 HydrophobicContact CE1-CB 3.71Å; Y124-C132 HydrophobicContact CD2-CB 3.87Å; Y124-C132 HydrophobicContact CE2-CB 4.46Å; Y124-C132 HydrophobicContact CG-CB 3.92Å
125	N	95.4	Very high	94.8	Very high	48 Å²	48	60.6 Å²	60.6	26%	0.257	29%	0.287	S	S	.	.			trans	-72	160.8	165.6	66.4	37.3	0	0	0	110.4	H94 H127 K128	H94-N125 HydrophobicContact CB-CB 4.34Å; N125-H127 PolarHBondContact O-N 2.87Å; N125-H127 PolarHBondContact OD1-N 3.47Å; N125-K128 PolarHBondContact O-N 3.12Å; N125-K128 WeakPolarHBondContact OD1-CG 3.08Å; N125-K128 PolarHBondContact OD1-N 3.16Å
126	Y	91.3	Very high	94.6	Very high	147 Å²	147	64.4 Å²	64.4	58%	0.576	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-58.7	-33.3	-178.5	-173.1	-96.6	0	0	0	113.4	L41 K128 R129	L41-Y126 HydrophobicContact CD1-CD2 4.32Å; Y126-K128 PolarHBondContact O-N 3.46Å; Y126-K128 VanDerWaalsContact O-N 3.15Å; Y126-R129 WeakPolarHBondContact O-CB 3.29Å; Y126-R129 PolarHBondContact O-N 2.76Å; Y126-R129 VanDerWaalsContact O-N 3.16Å
127	H	92.4	Very high	94.5	Very high	162 Å²	162	62.6 Å²	62.6	75%	0.75	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-65.6	-14.7	176.4	-57.2	-66	0	0	0	113.7	N125	N125-H127 PolarHBondContact O-N 2.87Å; N125-H127 PolarHBondContact OD1-N 3.47Å
128	K	92.9	Very high	94.4	Very high	107 Å²	107	62 Å²	62	47%	0.465	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-110.8	23.4	176.7	-64.3	-65.6	-175.4	-176.4	0	112.7	Y124 N125 Y126 D130 H131 C132	Y124-K128 HydrophobicContact CD1-CB 4.04Å; N125-K128 PolarHBondContact O-N 3.12Å; N125-K128 WeakPolarHBondContact OD1-CG 3.08Å; N125-K128 PolarHBondContact OD1-N 3.16Å; Y126-K128 PolarHBondContact O-N 3.46Å; Y126-K128 VanDerWaalsContact O-N 3.15Å; K128-D130 PolarHBondContact O-N 2.9Å; K128-H131 WeakPolarHBondContact O-CB 3.47Å; K128-H131 PolarHBondContact O-N 2.87Å; K128-C132 PolarHBondContact O-N 2.92Å; K128-C132 VanDerWaalsContact O-N 3.15Å
129	R	92.5	Very high	94.2	Very high	104 Å²	104	61.9 Å²	61.9	39%	0.392	31%	0.309	S	S	.	.	H	α-helix	trans	-52.9	-37.1	179.3	69	-176.8	-172.6	-87	-6.9	114	L41 Y126 H131 C132 Q133	L41-R129 HydrophobicContact CD1-CB 4.31Å; L41-R129 HydrophobicContact CD2-CB 4.21Å; Y126-R129 WeakPolarHBondContact O-CB 3.29Å; Y126-R129 PolarHBondContact O-N 2.76Å; Y126-R129 VanDerWaalsContact O-N 3.16Å; R129-H131 VanDerWaalsContact C-N 3.32Å; R129-H131 PolarHBondContact O-N 3.18Å; R129-C132 WeakPolarHBondContact O-CA 3.23Å; R129-C132 WeakPolarHBondContact O-CB 3.32Å; R129-C132 PolarHBondContact O-N 2.68Å; R129-Q133 WeakPolarHBondContact O-CG 3.34Å; R129-Q133 PolarHBondContact O-N 3.41Å; R129-Q133 VanDerWaalsContact O-N 3.11Å
130	D	93.4	Very high	94.1	Very high	89 Å²	89	62.3 Å²	62.3	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-42.6	179.5	-57	-17.7	0	0	0	110.8	K128 C132 Q133 W134	K128-D130 PolarHBondContact O-N 2.9Å; D130-C132 VanDerWaalsContact C-N 3.31Å; D130-C132 PolarHBondContact O-N 2.97Å; D130-Q133 PolarHBondContact O-N 2.99Å; D130-Q133 VanDerWaalsContact O-N 3.14Å; D130-W134 PolarHBondContact O-N 2.93Å; D130-W134 PolarHBondContact O-NE1 2.85Å
131	H	92	Very high	94.2	Very high	65 Å²	65	61.6 Å²	61.6	30%	0.301	31%	0.31	S	S	.	.	H	α-helix	trans	-68	-30.6	174.9	-68.2	-85.3	0	0	0	113.3	K39 Y124 K128 R129 Q133 W134	K39-H131 PolarHBondContact NZ-O 2.9Å; Y124-H131 HydrophobicContact CD1-CB 4.17Å; Y124-H131 HydrophobicContact CE1-CB 3.71Å; K128-H131 WeakPolarHBondContact O-CB 3.47Å; K128-H131 PolarHBondContact O-N 2.87Å; R129-H131 VanDerWaalsContact C-N 3.32Å; R129-H131 PolarHBondContact O-N 3.18Å; H131-Q133 PolarHBondContact O-N 2.82Å; H131-W134 AromaticContact CE1-CH2 3.31Å; H131-W134 WeakPolarHBondContact CE1-CH2 3.48Å; H131-W134 AromaticContact CE1-CZ2 3.95Å; H131-W134 AromaticContact CE1-CZ3 3.61Å; H131-W134 AromaticContact ND1-CE3 3.62Å; H131-W134 AromaticContact ND1-CH2 3.26Å; H131-W134 VanDerWaalsContact ND1-CH2 3.26Å; H131-W134 WeakPolarHBondContact ND1-CH2 2.91Å; H131-W134 AromaticContact ND1-CZ2 3.78Å; H131-W134 AromaticContact ND1-CZ3 3.16Å; H131-W134 WeakPolarHBondContact ND1-CZ3 3.13Å; H131-W134 PolarHBondContact O-N 2.76Å
132	C	95.1	Very high	94.2	Very high	8 Å²	8	65.5 Å²	65.5	5%	0.054	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-29.2	174.3	-164.5	0	0	0	0	111	K39 L41 Y124 K128 R129 D130	K39-C132 WeakPolarHBondContact CB-O 3.44Å; K39-C132 WeakPolarHBondContact CD-O 3.21Å; L41-C132 HydrophobicContact CD2-CB 3.93Å; L41-C132 HydrophobicContact CG-CB 4.48Å; Y124-C132 HydrophobicContact CD2-CB 3.87Å; Y124-C132 HydrophobicContact CE2-CB 4.46Å; Y124-C132 HydrophobicContact CG-CB 3.92Å; K128-C132 PolarHBondContact O-N 2.92Å; K128-C132 VanDerWaalsContact O-N 3.15Å; R129-C132 WeakPolarHBondContact O-CA 3.23Å; R129-C132 WeakPolarHBondContact O-CB 3.32Å; R129-C132 PolarHBondContact O-N 2.68Å; D130-C132 VanDerWaalsContact C-N 3.31Å; D130-C132 PolarHBondContact O-N 2.97Å
133	Q	93.4	Very high	94.2	Very high	98 Å²	98	64.8 Å²	64.8	46%	0.458	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-4.6	-178.1	-64.8	175.9	-7.7	0	0	114.5	Y24 R129 D130 H131	Y24-Q133 WeakPolarHBondContact CD1-O 3.29Å; Y24-Q133 HydrophobicContact CD2-CB 4.02Å; Y24-Q133 HydrophobicContact CD2-CG 4.07Å; Y24-Q133 WeakPolarHBondContact CE1-O 3.32Å; Y24-Q133 HydrophobicContact CE2-CB 3.75Å; Y24-Q133 HydrophobicContact CE2-CG 3.7Å; R129-Q133 WeakPolarHBondContact O-CG 3.34Å; R129-Q133 PolarHBondContact O-N 3.41Å; R129-Q133 VanDerWaalsContact O-N 3.11Å; D130-Q133 PolarHBondContact O-N 2.99Å; D130-Q133 VanDerWaalsContact O-N 3.14Å; H131-Q133 PolarHBondContact O-N 2.82Å
134	W	90.9	Very high	94.2	Very high	152 Å²	152	67.4 Å²	67.4	58%	0.576	34%	0.337	S	S	*	.			trans	-72.9	145.4	176.4	-65.5	-5.9	0	0	0	111.9	K39 D130 H131	K39-W134 WeakPolarHBondContact CE-O 3.5Å; K39-W134 PolarHBondContact NZ-O 2.75Å; D130-W134 PolarHBondContact O-N 2.93Å; D130-W134 PolarHBondContact O-NE1 2.85Å; H131-W134 AromaticContact CE1-CH2 3.31Å; H131-W134 WeakPolarHBondContact CE1-CH2 3.48Å; H131-W134 AromaticContact CE1-CZ2 3.95Å; H131-W134 AromaticContact CE1-CZ3 3.61Å; H131-W134 AromaticContact ND1-CE3 3.62Å; H131-W134 AromaticContact ND1-CH2 3.26Å; H131-W134 VanDerWaalsContact ND1-CH2 3.26Å; H131-W134 WeakPolarHBondContact ND1-CH2 2.91Å; H131-W134 AromaticContact ND1-CZ2 3.78Å; H131-W134 AromaticContact ND1-CZ3 3.16Å; H131-W134 WeakPolarHBondContact ND1-CZ3 3.13Å; H131-W134 PolarHBondContact O-N 2.76Å
135	G	90.6	Very high	94.2	Very high	54 Å²	54	65.7 Å²	65.7	56%	0.557	33%	0.33	S	S	*	.	S	Bend	trans	109.4	-149.4	175.1	0	0	0	0	0	111.8
136	N	93.3	Very high	94.1	Very high	82 Å²	82	68.1 Å²	68.1	44%	0.439	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	143	-178.5	-58.7	-50.8	0	0	0	109.6	Y24 F25 F138	Y24-N136 CarbonylContact C-O 3.57Å; Y24-N136 VanDerWaalsContact CA-O 3.23Å; Y24-N136 WeakPolarHBondContact CA-O 3.36Å; Y24-N136 WeakPolarHBondContact CB-O 3.49Å; F25-N136 HydrophobicContact CD1-CB 4.02Å; F25-N136 HydrophobicContact CE1-CB 3.55Å; F25-N136 HydrophobicContact CE2-CB 4.14Å; F25-N136 HydrophobicContact CZ-CB 3.61Å; F25-N136 PolarHBondContact N-O 2.9Å; F25-N136 PolarHBondContact O-N 2.87Å; N136-F138 PolarHBondContact O-N 2.81Å
137	S	94	Very high	94.1	Very high	64 Å²	64	62.1 Å²	62.1	45%	0.448	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	135.8	167.3	-170.8	0	0	0	0	108.8	F25	F25-S137 WeakPolarHBondContact CE1-O 3.23Å
138	F	93.9	Very high	94	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	104.7	174	-178.4	-90.7	0	0	0	108.1	L14 V23 F25 I38 N136 I141 F161	L14-F138 HydrophobicContact CB-CD1 4.11Å; L14-F138 HydrophobicContact CB-CE1 3.94Å; L14-F138 HydrophobicContact CD1-CD1 4.46Å; L14-F138 HydrophobicContact CD1-CE1 3.89Å; L14-F138 HydrophobicContact CD1-CZ 4.23Å; L14-F138 HydrophobicContact CG-CD1 4.42Å; L14-F138 HydrophobicContact CG-CE1 3.79Å; L14-F138 HydrophobicContact CG-CZ 4.49Å; V23-F138 HydrophobicContact CB-CB 4.05Å; V23-F138 HydrophobicContact CB-CD1 4.27Å; V23-F138 HydrophobicContact CB-CG 4.47Å; V23-F138 HydrophobicContact CG1-CB 3.97Å; V23-F138 HydrophobicContact CG1-CD1 4.21Å; V23-F138 HydrophobicContact CG1-CG 4.17Å; V23-F138 VanDerWaalsContact O-CB 3.29Å; V23-F138 WeakPolarHBondContact O-CB 3.44Å; V23-F138 PolarHBondContact O-N 3.48Å; F25-F138 HydrophobicContact CB-CD2 4.22Å; F25-F138 HydrophobicContact CD1-CB 4.04Å; F25-F138 HydrophobicContact CD1-CD2 4.02Å; F25-F138 HydrophobicContact CG-CD2 4.43Å; I38-F138 HydrophobicContact CD1-CE2 4.02Å; I38-F138 HydrophobicContact CD1-CZ 4.27Å; I38-F138 HydrophobicContact CG1-CD2 4.44Å; I38-F138 HydrophobicContact CG1-CE2 3.97Å; N136-F138 PolarHBondContact O-N 2.81Å; F138-I141 HydrophobicContact CE2-CD1 3.61Å; F138-I141 HydrophobicContact CE2-CG1 3.41Å; F138-I141 VanDerWaalsContact CE2-CG1 3.41Å; F138-I141 HydrophobicContact CZ-CD1 3.65Å; F138-I141 HydrophobicContact CZ-CG1 3.51Å; F138-F161 HydrophobicContact CD2-CD1 4.22Å; F138-F161 HydrophobicContact CD2-CE1 4.41Å; F138-F161 AromaticContact CE2-CD1 3.93Å; F138-F161 HydrophobicContact CE2-CD1 3.93Å; F138-F161 AromaticContact CE2-CE1 3.87Å; F138-F161 HydrophobicContact CE2-CE1 3.87Å
139	G	92.4	Very high	93.6	Very high	40 Å²	40	59 Å²	59	41%	0.412	31%	0.306	S	S	.	.			trans	-80.4	-57.9	172.2	0	0	0	0	0	110.4	S13 H162	S13-G139 WeakPolarHBondContact CB-O 3.38Å; G139-H162 WeakPolarHBondContact CA-O 3.39Å; G139-H162 PolarHBondContact N-O 3.23Å
140	S	96.4	Very high	93.2	Very high	14 Å²	14	59 Å²	59	10%	0.098	32%	0.318	C	S	.	.			trans	-164.2	166.4	178.1	60.5	0	0	0	0	112.5	V12 H162	V12-S140 CarbonylContact O-C 3.52Å; V12-S140 WeakPolarHBondContact O-CA 3.28Å; V12-S140 WeakPolarHBondContact O-CB 3.49Å; S140-H162 PolarHBondContact N-O 3.16Å; S140-H162 PolarHBondContact O-N 3.03Å
141	I	97.1	Very high	92.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.9	158.6	-53.7	159.7	0	0	0	108.2	S11 V12 I38 W119 F138 Y143 E159 T160 F161	S11-I141 WeakPolarHBondContact CA-O 3.25Å; V12-I141 PolarHBondContact N-O 3.42Å; V12-I141 PolarHBondContact O-N 2.87Å; I38-I141 HydrophobicContact CD1-CD1 3.73Å; I38-I141 HydrophobicContact CG1-CD1 4.5Å; W119-I141 HydrophobicContact CD2-CD1 4.46Å; W119-I141 HydrophobicContact CZ2-CD1 4.39Å; F138-I141 HydrophobicContact CE2-CD1 3.61Å; F138-I141 HydrophobicContact CE2-CG1 3.41Å; F138-I141 VanDerWaalsContact CE2-CG1 3.41Å; F138-I141 HydrophobicContact CZ-CD1 3.65Å; F138-I141 HydrophobicContact CZ-CG1 3.51Å; I141-Y143 HydrophobicContact CB-CE2 3.96Å; I141-Y143 HydrophobicContact CG2-CD2 4.33Å; I141-Y143 HydrophobicContact CG2-CE1 4Å; I141-Y143 HydrophobicContact CG2-CE2 3.58Å; I141-Y143 VanDerWaalsContact CG2-OH 3.28Å; I141-Y143 WeakPolarHBondContact CG2-OH 3.39Å; I141-E159 HydrophobicContact CG2-CG 3.69Å; I141-T160 CarbonylContact C-O 3.57Å; I141-T160 WeakPolarHBondContact CA-O 3.31Å; I141-F161 HydrophobicContact CD1-CD1 4.18Å; I141-F161 HydrophobicContact CD1-CE1 3.5Å; I141-F161 VanDerWaalsContact CD1-CE1 3.5Å; I141-F161 HydrophobicContact CD1-CE2 3.9Å; I141-F161 HydrophobicContact CD1-CZ 3.33Å; I141-F161 HydrophobicContact CG1-CD1 3.68Å; I141-F161 HydrophobicContact CG1-CD2 3.96Å; I141-F161 HydrophobicContact CG1-CE1 3.54Å; I141-F161 HydrophobicContact CG1-CE2 3.82Å; I141-F161 HydrophobicContact CG1-CG 3.9Å; I141-F161 HydrophobicContact CG1-CZ 3.61Å; I141-F161 HydrophobicContact CG2-CD2 3.96Å; I141-F161 HydrophobicContact CG2-CE2 3.89Å; I141-F161 HydrophobicContact CG2-CZ 4.45Å
142	E	98	Very high	92.6	Very high	82 Å²	82	60.7 Å²	60.7	38%	0.383	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.3	176.9	-66.4	-174.4	158.7	0	0	110.9	I10 E159 T160 H162	I10-E142 CarbonylContact O-C 3.49Å; I10-E142 VanDerWaalsContact O-CA 3.29Å; I10-E142 WeakPolarHBondContact O-CA 3.45Å; E142-E159 CarbonylContact O-C 3.54Å; E142-E159 WeakPolarHBondContact O-CA 3.43Å; E142-T160 PolarHBondContact N-O 3.13Å; E142-T160 PolarHBondContact O-N 3.19Å; E142-H162 IonicContact OE1-NE2 2.78Å; E142-H162 IonicContact OE2-CD2 3.87Å; E142-H162 IonicContact OE2-CE1 3.83Å; E142-H162 IonicContact OE2-NE2 3.13Å; E142-H162 PolarHBondContact OE2-NE2 3.45Å
143	Y	98.2	Very high	92.4	Very high	1 Å²	1	63 Å²	63	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.4	175.6	-54.6	-88.3	0	0	0	110.1	K9 I10 F115 T117 W119 I141 C145 I156 K158 E159	K9-Y143 CarbonylContact C-O 3.44Å; K9-Y143 VanDerWaalsContact CA-O 3.3Å; K9-Y143 WeakPolarHBondContact CA-O 3.37Å; I10-Y143 HydrophobicContact CB-CD2 4.34Å; I10-Y143 HydrophobicContact CG2-CD2 4.48Å; I10-Y143 PolarHBondContact N-O 3.15Å; I10-Y143 PolarHBondContact O-N 3.06Å; F115-Y143 HydrophobicContact CE1-CE2 4.5Å; F115-Y143 AromaticContact CE2-CD1 3.93Å; F115-Y143 HydrophobicContact CE2-CD1 3.93Å; F115-Y143 HydrophobicContact CE2-CD2 4.22Å; F115-Y143 HydrophobicContact CE2-CE1 4.48Å; F115-Y143 AromaticContact CE2-CG 3.77Å; F115-Y143 HydrophobicContact CE2-CG 3.77Å; F115-Y143 AromaticContact CZ-CD1 3.73Å; F115-Y143 HydrophobicContact CZ-CD1 3.73Å; F115-Y143 AromaticContact CZ-CD2 3.69Å; F115-Y143 HydrophobicContact CZ-CD2 3.69Å; F115-Y143 AromaticContact CZ-CE1 3.87Å; F115-Y143 HydrophobicContact CZ-CE1 3.87Å; F115-Y143 AromaticContact CZ-CE2 3.87Å; F115-Y143 HydrophobicContact CZ-CE2 3.87Å; F115-Y143 AromaticContact CZ-CG 3.63Å; F115-Y143 HydrophobicContact CZ-CG 3.63Å; F115-Y143 AromaticContact CZ-CZ 3.96Å; T117-Y143 HydrophobicContact CG2-CE1 4.21Å; W119-Y143 AromaticContact NE1-CZ 3.89Å; W119-Y143 PolarHBondContact NE1-OH 2.9Å; I141-Y143 HydrophobicContact CB-CE2 3.96Å; I141-Y143 HydrophobicContact CG2-CD2 4.33Å; I141-Y143 HydrophobicContact CG2-CE1 4Å; I141-Y143 HydrophobicContact CG2-CE2 3.58Å; I141-Y143 VanDerWaalsContact CG2-OH 3.28Å; I141-Y143 WeakPolarHBondContact CG2-OH 3.39Å; Y143-C145 VanDerWaalsContact CB-SG 3.58Å; Y143-I156 HydrophobicContact CD1-CD1 4.09Å; Y143-I156 HydrophobicContact CD1-CG2 4Å; Y143-I156 HydrophobicContact CE1-CD1 4.41Å; Y143-K158 WeakPolarHBondContact CA-O 3.49Å; Y143-E159 HydrophobicContact CD1-CB 4.24Å; Y143-E159 HydrophobicContact CD1-CG 4.09Å; Y143-E159 HydrophobicContact CE1-CB 4.25Å; Y143-E159 HydrophobicContact CE1-CG 3.68Å; Y143-E159 VanDerWaalsContact CE1-OE2 3.28Å; Y143-E159 WeakPolarHBondContact CE1-OE2 3.43Å
144	E	97.8	Very high	92.4	Very high	57 Å²	57	58.6 Å²	58.6	27%	0.266	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111.8	165.1	-62.9	-167.5	156.3	0	0	108.9	L7 K9 N157 K158	L7-E144 HydrophobicContact CD1-CB 4.24Å; K9-E144 HydrophobicContact CD-CG 4.46Å; K9-E144 VanDerWaalsContact CE-OE1 3.27Å; K9-E144 WeakPolarHBondContact CE-OE1 3.3Å; K9-E144 HydrophobicContact CG-CG 4.34Å; K9-E144 IonicContact NZ-OE1 3.28Å; K9-E144 PolarHBondContact NZ-OE1 2.91Å; E144-N157 PolarHBondContact O-N 3.11Å; E144-K158 HydrophobicContact CB-CB 4.13Å; E144-K158 HydrophobicContact CG-CB 4.42Å; E144-K158 PolarHBondContact N-O 2.95Å
145	C	96.2	Very high	92.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150.7	-169.6	-56	0	0	0	0	111.5	L7 V8 Y143 M154 W155	L7-C145 WeakPolarHBondContact CA-O 3.45Å; V8-C145 HydrophobicContact CB-CB 4.49Å; V8-C145 PolarHBondContact N-O 2.92Å; V8-C145 PolarHBondContact O-N 3.13Å; Y143-C145 VanDerWaalsContact CB-SG 3.58Å; C145-M154 HydrophobicContact CB-CB 4.08Å; C145-M154 HydrophobicContact CB-SD 4.1Å; C145-W155 CarbonylContact C-O 3.58Å; C145-W155 WeakPolarHBondContact CA-O 3.32Å
146	K	94.2	Very high	92.7	Very high	99 Å²	99	58.2 Å²	58.2	43%	0.43	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.2	170.1	-66.1	-172.3	177	177.9	0	109.9	N6 L7 N148 M154 W155 N157	N6-K146 VanDerWaalsContact O-CG 3.28Å; N6-K146 WeakPolarHBondContact O-CG 3.2Å; L7-K146 HydrophobicContact CD1-CG 4.37Å; K146-N148 PolarHBondContact O-N 2.7Å; K146-M154 CarbonylContact O-C 3.5Å; K146-M154 WeakPolarHBondContact O-CA 3.07Å; K146-W155 PolarHBondContact N-O 3.19Å; K146-W155 PolarHBondContact O-N 3.37Å; K146-N157 WeakPolarHBondContact CD-ND2 3.42Å; K146-N157 WeakPolarHBondContact CE-ND2 3.39Å; K146-N157 VanDerWaalsContact CG-ND2 3.31Å; K146-N157 WeakPolarHBondContact CG-ND2 3.43Å
147	P	91.9	Very high	92.8	Very high	20 Å²	20	58.8 Å²	58.8	13%	0.13	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	137.4	169.5	-22.6	34.1	0	0	0	110.3	I4 P5 V8 I112	I4-P147 HydrophobicContact CG2-CG 4.33Å; P5-P147 WeakPolarHBondContact O-CD 3.34Å; V8-P147 HydrophobicContact CG2-CG 4.3Å; I112-P147 HydrophobicContact CB-CB 4.29Å; I112-P147 HydrophobicContact CB-CG 4.03Å; I112-P147 HydrophobicContact CG2-CG 4.21Å
148	N	88.6	Confident	92.9	Very high	20 Å²	20	61 Å²	61	11%	0.107	31%	0.306	C	S	.	.			trans	-72.3	168.2	173.8	74.5	-10.7	0	0	0	111.2	K146 T150 R151 S152 L153 W155	K146-N148 PolarHBondContact O-N 2.7Å; N148-T150 PolarHBondContact ND2-OG1 3.41Å; N148-T150 PolarHBondContact O-N 3Å; N148-T150 PolarHBondContact OD1-OG1 3.03Å; N148-R151 PolarHBondContact O-N 3.15Å; N148-R151 VanDerWaalsContact OD1-CA 3.31Å; N148-R151 WeakPolarHBondContact OD1-CA 3.04Å; N148-R151 PolarHBondContact OD1-N 2.69Å; N148-S152 PolarHBondContact ND2-OG 2.67Å; N148-S152 PolarHBondContact OD1-N 3.44Å; N148-L153 VanDerWaalsContact CB-O 3.3Å; N148-L153 WeakPolarHBondContact CB-O 3.22Å; N148-L153 PolarHBondContact N-O 3.07Å; N148-L153 PolarHBondContact OD1-N 3.39Å; N148-L153 PolarHBondContact OD1-O 3.42Å; N148-L153 VanDerWaalsContact OD1-O 3.11Å; N148-W155 HydrophobicContact CB-CD2 4.21Å; N148-W155 HydrophobicContact CB-CE3 4.39Å; N148-W155 HydrophobicContact CB-CH2 3.81Å; N148-W155 HydrophobicContact CB-CZ2 3.57Å; N148-W155 HydrophobicContact CB-CZ3 4.21Å
149	E	85.4	Confident	92.9	Very high	184 Å²	184	64.2 Å²	64.2	86%	0.86	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.3	-176.3	-62.7	179.3	-179.9	0	0	113	R151	E149-R151 VanDerWaalsContact C-N 3.31Å; E149-R151 PolarHBondContact O-N 3.14Å
150	T	85.1	Confident	93	Very high	105 Å²	105	64.4 Å²	64.4	64%	0.644	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.1	179.9	57.9	0	0	0	0	113.8	N148 S152	N148-T150 PolarHBondContact ND2-OG1 3.41Å; N148-T150 PolarHBondContact O-N 3Å; N148-T150 PolarHBondContact OD1-OG1 3.03Å; T150-S152 PolarHBondContact O-N 3.26Å; T150-S152 PolarHBondContact OG1-OG 3.07Å
151	R	84.8	Confident	92.7	Very high	122 Å²	122	64.8 Å²	64.8	46%	0.46	31%	0.314	S	S	.	.	S	Bend	trans	55	30.9	-177.9	-49.8	171	-167.9	-176	-3.6	113.4	I4 G113 N148 E149	I4-R151 VanDerWaalsContact CD1-CD 3.43Å; I4-R151 HydrophobicContact CD1-CG 4.2Å; I4-R151 VanDerWaalsContact CD1-NH1 3.31Å; G113-R151 WeakPolarHBondContact CA-O 3.16Å; G113-R151 PolarHBondContact N-O 2.95Å; G113-R151 VanDerWaalsContact N-O 3.17Å; N148-R151 PolarHBondContact O-N 3.15Å; N148-R151 VanDerWaalsContact OD1-CA 3.31Å; N148-R151 WeakPolarHBondContact OD1-CA 3.04Å; N148-R151 PolarHBondContact OD1-N 2.69Å; E149-R151 VanDerWaalsContact C-N 3.31Å; E149-R151 PolarHBondContact O-N 3.14Å
152	S	86.4	Confident	92.2	Very high	67 Å²	67	70.2 Å²	70.2	47%	0.469	34%	0.339	S	S	.	.	S	Bend	trans	-99.1	-28.6	178.9	62.6	0	0	0	0	112.1	V114 N148 T150	V114-S152 PolarHBondContact N-O 3.21Å; V114-S152 VanDerWaalsContact N-O 3.08Å; N148-S152 PolarHBondContact ND2-OG 2.67Å; N148-S152 PolarHBondContact OD1-N 3.44Å; T150-S152 PolarHBondContact O-N 3.26Å; T150-S152 PolarHBondContact OG1-OG 3.07Å
153	L	91.4	Very high	92	Very high	56 Å²	56	69.6 Å²	69.6	29%	0.293	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-145.6	150.5	-174.1	-173.4	71.2	0	0	0	110.5	V114 E116 N148	V114-L153 CarbonylContact O-C 3.52Å; V114-L153 WeakPolarHBondContact O-CA 3.18Å; E116-L153 HydrophobicContact CB-CD1 4.4Å; E116-L153 HydrophobicContact CG-CD1 4.02Å; N148-L153 VanDerWaalsContact CB-O 3.3Å; N148-L153 WeakPolarHBondContact CB-O 3.22Å; N148-L153 PolarHBondContact N-O 3.07Å; N148-L153 PolarHBondContact OD1-N 3.39Å; N148-L153 PolarHBondContact OD1-O 3.42Å; N148-L153 VanDerWaalsContact OD1-O 3.11Å
154	M	93.6	Very high	91.6	Very high	6 Å²	6	73.2 Å²	73.2	3%	0.03	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.2	168.4	-57.9	-172.2	-164.4	0	0	112.3	I10 F109 I112 V114 F115 C145 K146	I10-M154 HydrophobicContact CD1-SD 4.48Å; F109-M154 HydrophobicContact CB-CE 4.18Å; F109-M154 HydrophobicContact CD1-CE 3.92Å; F109-M154 HydrophobicContact CD2-CE 3.3Å; F109-M154 HydrophobicContact CE1-CE 4.03Å; F109-M154 HydrophobicContact CE2-CE 3.5Å; F109-M154 VanDerWaalsContact CE2-CE 3.5Å; F109-M154 HydrophobicContact CE2-SD 4.19Å; F109-M154 HydrophobicContact CG-CE 3.54Å; F109-M154 HydrophobicContact CZ-CE 3.85Å; F109-M154 HydrophobicContact CZ-SD 4.39Å; I112-M154 HydrophobicContact CB-CE 4.07Å; I112-M154 HydrophobicContact CD1-CE 3.25Å; I112-M154 HydrophobicContact CD1-SD 4.48Å; I112-M154 HydrophobicContact CG1-CE 3.38Å; V114-M154 PolarHBondContact O-N 3.14Å; F115-M154 HydrophobicContact CB-SD 4.3Å; C145-M154 HydrophobicContact CB-CB 4.08Å; C145-M154 HydrophobicContact CB-SD 4.1Å; K146-M154 CarbonylContact O-C 3.5Å; K146-M154 WeakPolarHBondContact O-CA 3.07Å
155	W	93.1	Very high	91.3	Very high	136 Å²	136	74.1 Å²	74.1	52%	0.515	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.9	170.5	-61	-44.6	0	0	0	111.2	C145 K146 N148	C145-W155 CarbonylContact C-O 3.58Å; C145-W155 WeakPolarHBondContact CA-O 3.32Å; K146-W155 PolarHBondContact N-O 3.19Å; K146-W155 PolarHBondContact O-N 3.37Å; N148-W155 HydrophobicContact CB-CD2 4.21Å; N148-W155 HydrophobicContact CB-CE3 4.39Å; N148-W155 HydrophobicContact CB-CH2 3.81Å; N148-W155 HydrophobicContact CB-CZ2 3.57Å; N148-W155 HydrophobicContact CB-CZ3 4.21Å
156	I	95.6	Very high	91	Very high	61 Å²	61	78.5 Å²	78.5	31%	0.313	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.1	175.1	-52.9	-179.1	0	0	0	108.8	F115 E116 Y143	F115-I156 HydrophobicContact CD2-CD1 4.3Å; F115-I156 HydrophobicContact CD2-CG1 4.29Å; F115-I156 HydrophobicContact CE2-CD1 3.48Å; F115-I156 VanDerWaalsContact CE2-CD1 3.48Å; F115-I156 HydrophobicContact CE2-CG1 3.75Å; F115-I156 HydrophobicContact CZ-CD1 3.97Å; E116-I156 WeakPolarHBondContact O-CD1 3.39Å; Y143-I156 HydrophobicContact CD1-CD1 4.09Å; Y143-I156 HydrophobicContact CD1-CG2 4Å; Y143-I156 HydrophobicContact CE1-CD1 4.41Å
157	N	94.6	Very high	90.8	Very high	95 Å²	95	77.2 Å²	77.2	51%	0.508	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-30.6	175.1	-64.1	-41.1	0	0	0	112.5	E144 K146	E144-N157 PolarHBondContact O-N 3.11Å; K146-N157 WeakPolarHBondContact CD-ND2 3.42Å; K146-N157 WeakPolarHBondContact CE-ND2 3.39Å; K146-N157 VanDerWaalsContact CG-ND2 3.31Å; K146-N157 WeakPolarHBondContact CG-ND2 3.43Å
158	K	95.3	Very high	90.7	Very high	110 Å²	110	81 Å²	81	48%	0.478	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	139.8	-176	-171.6	178.1	178	-174.9	0	110.4	Y143 E144 T160	Y143-K158 WeakPolarHBondContact CA-O 3.49Å; E144-K158 HydrophobicContact CB-CB 4.13Å; E144-K158 HydrophobicContact CG-CB 4.42Å; E144-K158 PolarHBondContact N-O 2.95Å; K158-T160 WeakPolarHBondContact CE-OG1 3.49Å
159	E	94.8	Very high	90.9	Very high	74 Å²	74	85.4 Å²	85.4	35%	0.346	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.6	171.1	-178.4	-172.5	83.5	0	0	108.5	I141 E142 Y143 F161	I141-E159 HydrophobicContact CG2-CG 3.69Å; E142-E159 CarbonylContact O-C 3.54Å; E142-E159 WeakPolarHBondContact O-CA 3.43Å; Y143-E159 HydrophobicContact CD1-CB 4.24Å; Y143-E159 HydrophobicContact CD1-CG 4.09Å; Y143-E159 HydrophobicContact CE1-CB 4.25Å; Y143-E159 HydrophobicContact CE1-CG 3.68Å; Y143-E159 VanDerWaalsContact CE1-OE2 3.28Å; Y143-E159 WeakPolarHBondContact CE1-OE2 3.43Å; E159-F161 HydrophobicContact CG-CD2 4.33Å; E159-F161 HydrophobicContact CG-CE2 4.13Å; E159-F161 WeakPolarHBondContact OE1-CE2 3.26Å
160	T	94	Very high	91.3	Very high	44 Å²	44	77.8 Å²	77.8	27%	0.27	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129.5	177.9	-52.2	0	0	0	0	110.1	I141 E142 K158	I141-T160 CarbonylContact C-O 3.57Å; I141-T160 WeakPolarHBondContact CA-O 3.31Å; E142-T160 PolarHBondContact N-O 3.13Å; E142-T160 PolarHBondContact O-N 3.19Å; K158-T160 WeakPolarHBondContact CE-OG1 3.49Å
161	F	91.4	Very high	91.8	Very high	21 Å²	21	75.5 Å²	75.5	9%	0.092	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.7	173.6	-82.6	-117.1	0	0	0	109.5	F25 R36 I38 F138 I141 E159	F25-F161 HydrophobicContact CD2-CD1 4.3Å; F25-F161 HydrophobicContact CG-CD1 4.29Å; F25-F161 HydrophobicContact CZ-CB 4.43Å; R36-F161 HydrophobicContact CB-CD1 4.26Å; R36-F161 HydrophobicContact CB-CE1 4.04Å; R36-F161 HydrophobicContact CB-CE2 4.37Å; R36-F161 HydrophobicContact CB-CZ 4.1Å; R36-F161 VanDerWaalsContact CD-CD2 3.46Å; I38-F161 HydrophobicContact CD1-CE1 4.48Å; I38-F161 HydrophobicContact CG1-CE1 3.99Å; F138-F161 HydrophobicContact CD2-CD1 4.22Å; F138-F161 HydrophobicContact CD2-CE1 4.41Å; F138-F161 AromaticContact CE2-CD1 3.93Å; F138-F161 HydrophobicContact CE2-CD1 3.93Å; F138-F161 AromaticContact CE2-CE1 3.87Å; F138-F161 HydrophobicContact CE2-CE1 3.87Å; I141-F161 HydrophobicContact CD1-CD1 4.18Å; I141-F161 HydrophobicContact CD1-CE1 3.5Å; I141-F161 VanDerWaalsContact CD1-CE1 3.5Å; I141-F161 HydrophobicContact CD1-CE2 3.9Å; I141-F161 HydrophobicContact CD1-CZ 3.33Å; I141-F161 HydrophobicContact CG1-CD1 3.68Å; I141-F161 HydrophobicContact CG1-CD2 3.96Å; I141-F161 HydrophobicContact CG1-CE1 3.54Å; I141-F161 HydrophobicContact CG1-CE2 3.82Å; I141-F161 HydrophobicContact CG1-CG 3.9Å; I141-F161 HydrophobicContact CG1-CZ 3.61Å; I141-F161 HydrophobicContact CG2-CD2 3.96Å; I141-F161 HydrophobicContact CG2-CE2 3.89Å; I141-F161 HydrophobicContact CG2-CZ 4.45Å; E159-F161 HydrophobicContact CG-CD2 4.33Å; E159-F161 HydrophobicContact CG-CE2 4.13Å; E159-F161 WeakPolarHBondContact OE1-CE2 3.26Å
162	H	86.9	Confident	92.4	Very high	114 Å²	114	71.3 Å²	71.3	53%	0.528	35%	0.349	S	S	.	.			trans	-109.5	0	174.8	-58.2	-76.2	0	0	0	111.3	G139 S140 E142	G139-H162 WeakPolarHBondContact CA-O 3.39Å; G139-H162 PolarHBondContact N-O 3.23Å; S140-H162 PolarHBondContact N-O 3.16Å; S140-H162 PolarHBondContact O-N 3.03Å; E142-H162 IonicContact OE1-NE2 2.78Å; E142-H162 IonicContact OE2-CD2 3.87Å; E142-H162 IonicContact OE2-CE1 3.83Å; E142-H162 IonicContact OE2-NE2 3.13Å; E142-H162 PolarHBondContact OE2-NE2 3.45Å

Retrieved 162 of 162 residues in 307.6 ms (Link to these results)

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