A0A087X977_POEFO Loading...

Cysteine dioxygenase

Catalyzes the oxidation of cysteine to cysteine sulfinic acid with addition of molecular dioxygen.

AlphaFold DB , UniProt , Accession A0A087X977, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 200 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	39.3	Very low	68.9	Low	240 Å²	240	118.7 Å²	118.7	100%	1.182	60%	0.601	S	S	*	*				0	104.2	0	-78.6	168.6	164.6	0	0	105.3	Q3	M1-Q3 PolarHBondContact O-N 3.19Å
2	E	40.4	Very low	71.3	Confident	193 Å²	193	109.1 Å²	109.1	90%	0.902	55%	0.552	S	S	*	*			trans	-66.9	112.2	173.9	-78.5	170.9	154.3	0	0	106.9	T4	E2-T4 VanDerWaalsContact C-N 3.28Å; E2-T4 PolarHBondContact O-N 3.48Å; E2-T4 VanDerWaalsContact O-N 3.08Å
3	Q	40.4	Very low	73.4	Confident	192 Å²	192	108.8 Å²	108.8	90%	0.897	55%	0.553	S	S	*	*			trans	-70.8	95.8	161	-82.1	175.5	-26.1	0	0	105.5	M1 E5	M1-Q3 PolarHBondContact O-N 3.19Å; Q3-E5 PolarHBondContact O-N 3.42Å
4	T	50.3	Low	75.2	Confident	105 Å²	105	107.4 Å²	107.4	64%	0.644	54%	0.544	S	S	*	.			trans	-54.1	120.1	161.8	12.2	0	0	0	0	106.9	E2 V6	E2-T4 VanDerWaalsContact C-N 3.28Å; E2-T4 PolarHBondContact O-N 3.48Å; E2-T4 VanDerWaalsContact O-N 3.08Å; T4-V6 PolarHBondContact O-N 2.69Å
5	E	55.5	Low	76.8	Confident	186 Å²	186	100.3 Å²	100.3	87%	0.869	51%	0.507	S	S	*	.			trans	-55.4	106.1	170.4	-85.8	-177.5	147.2	0	0	107.7	Q3 V7	Q3-E5 PolarHBondContact O-N 3.42Å; E5-V7 PolarHBondContact O-N 2.81Å
6	V	63.2	Low	78.1	Confident	71 Å²	71	95 Å²	95	43%	0.43	48%	0.481	S	S	.	.			trans	-71.1	101.8	177.4	-178.4	0	0	0	0	106.3	T4 K8 I36	T4-V6 PolarHBondContact O-N 2.69Å; V6-K8 PolarHBondContact O-N 2.9Å; V6-K8 VanDerWaalsContact O-N 3.13Å; V6-I36 HydrophobicContact CG1-CB 4.11Å; V6-I36 HydrophobicContact CG1-CD1 3.34Å; V6-I36 HydrophobicContact CG1-CG1 4.29Å
7	V	83.2	Confident	79.3	Confident	111 Å²	111	92.4 Å²	92.4	67%	0.673	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-61.5	117.1	175.3	-179.7	0	0	0	0	107.6	E5 I18 I36	E5-V7 PolarHBondContact O-N 2.81Å; V7-I18 WeakPolarHBondContact O-CD1 3.15Å; V7-I36 WeakPolarHBondContact O-CD1 3.42Å
8	K	93.1	Very high	80.3	Confident	73 Å²	73	89.4 Å²	89.4	32%	0.317	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-58	127.5	176	-178.3	-170.9	179.4	-166.8	0	109	V6 E10 S39 E41	V6-K8 PolarHBondContact O-N 2.9Å; V6-K8 VanDerWaalsContact O-N 3.13Å; K8-E10 PolarHBondContact O-N 3.47Å; K8-S39 WeakPolarHBondContact CE-O 3.34Å; K8-S39 WeakPolarHBondContact CG-O 3.48Å; K8-E41 VanDerWaalsContact NZ-CD 3.33Å; K8-E41 IonicContact NZ-OE1 3.65Å; K8-E41 PolarHBondContact NZ-OE1 3.42Å; K8-E41 IonicContact NZ-OE2 3.81Å
9	P	96.9	Very high	81.3	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.006	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-75	126.3	175.2	29.6	-28.1	0	0	0	109.2	E14 L15 I18 I36 S39	P9-E14 HydrophobicContact CB-CB 4.05Å; P9-L15 HydrophobicContact CB-CB 3.87Å; P9-L15 HydrophobicContact CG-CB 4.01Å; P9-L15 HydrophobicContact CG-CD1 4.09Å; P9-I18 HydrophobicContact CB-CD1 4.11Å; P9-I36 HydrophobicContact CG-CD1 4.12Å; P9-I36 HydrophobicContact CG-CG1 4.42Å; P9-S39 WeakPolarHBondContact CD-OG 3.38Å
10	E	96.9	Very high	82.1	Confident	90 Å²	90	83.1 Å²	83.1	42%	0.421	43%	0.427	S	S	.	.	S	Bend	trans	-86.4	-15.9	176.8	-69.3	-60.5	147.6	0	0	112	K8 E14 K43	K8-E10 PolarHBondContact O-N 3.47Å; E10-E14 WeakPolarHBondContact CB-OE2 3.42Å; E10-E14 PolarHBondContact N-OE2 3.38Å; E10-K43 PolarHBondContact O-NZ 3.35Å; E10-K43 IonicContact OE2-NZ 2.81Å
11	T	98.4	Very high	82.8	Confident	44 Å²	44	86 Å²	86	27%	0.27	44%	0.437	S	S	.	.	S	Bend	trans	-136.8	160.6	177.2	69.1	0	0	0	0	112.2	D13 E14 L15 E46	T11-D13 PolarHBondContact O-N 3.14Å; T11-E14 PolarHBondContact O-N 3.28Å; T11-E14 WeakPolarHBondContact OG1-CG 3.46Å; T11-E14 PolarHBondContact OG1-N 3.13Å; T11-E14 VanDerWaalsContact OG1-N 3.1Å; T11-L15 PolarHBondContact O-N 3.47Å; T11-E46 VanDerWaalsContact CA-OE1 3.3Å; T11-E46 WeakPolarHBondContact CA-OE1 3.25Å; T11-E46 WeakPolarHBondContact CA-OE2 3.26Å; T11-E46 WeakPolarHBondContact CB-OE1 3.48Å; T11-E46 WeakPolarHBondContact CG2-OE1 3.32Å
12	L	98.5	Very high	85.5	Confident	3 Å²	3	75.8 Å²	75.8	2%	0.016	39%	0.387	C	S	.	.	H	α-helix	trans	-57.9	-38.1	172	178.8	59.9	0	0	0	111.9	L15 I16 Y40 E46 W47 Y50 V63 L155	L12-L15 HydrophobicContact CD1-CD2 4.25Å; L12-L15 WeakPolarHBondContact O-CB 2.89Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-I16 HydrophobicContact CD1-CD1 4.32Å; L12-I16 HydrophobicContact CD1-CG1 4.4Å; L12-I16 HydrophobicContact CG-CD1 4Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.27Å; L12-I16 PolarHBondContact O-N 3.15Å; L12-Y40 HydrophobicContact CB-CE2 4.46Å; L12-E46 HydrophobicContact CB-CB 4.12Å; L12-E46 PolarHBondContact N-OE2 3.1Å; L12-W47 HydrophobicContact CD2-CB 3.99Å; L12-Y50 HydrophobicContact CD2-CD2 4.38Å; L12-Y50 HydrophobicContact CD2-CE2 3.91Å; L12-V63 HydrophobicContact CD2-CG1 4.5Å; L12-L155 HydrophobicContact CD1-CD2 4.31Å
13	D	98.4	Very high	88.2	Confident	105 Å²	105	66.7 Å²	66.7	56%	0.561	35%	0.345	S	S	*	.	H	α-helix	trans	-67.3	-38	179	-69.2	-18.2	0	0	0	111.2	T11 I16 A17	T11-D13 PolarHBondContact O-N 3.14Å; D13-I16 PolarHBondContact O-N 3.39Å; D13-A17 WeakPolarHBondContact O-CB 3.49Å; D13-A17 PolarHBondContact O-N 3.3Å
14	E	98.4	Very high	90.8	Very high	90 Å²	90	64.1 Å²	64.1	42%	0.421	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-42.3	171.8	-75.2	175.5	-171.4	0	0	112.1	P9 E10 T11 I16 A17 I18	P9-E14 HydrophobicContact CB-CB 4.05Å; E10-E14 WeakPolarHBondContact CB-OE2 3.42Å; E10-E14 PolarHBondContact N-OE2 3.38Å; T11-E14 PolarHBondContact O-N 3.28Å; T11-E14 WeakPolarHBondContact OG1-CG 3.46Å; T11-E14 PolarHBondContact OG1-N 3.13Å; T11-E14 VanDerWaalsContact OG1-N 3.1Å; E14-I16 VanDerWaalsContact C-N 3.33Å; E14-I16 PolarHBondContact O-N 3.3Å; E14-A17 PolarHBondContact O-N 3.4Å; E14-I18 WeakPolarHBondContact O-CG1 3.37Å; E14-I18 PolarHBondContact O-N 2.81Å
15	L	98.6	Very high	92.8	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.5	-47.8	173.7	172.8	63.6	0	0	0	110.5	P9 T11 L12 A17 I18 L19 I36 M37 Y40 L155	P9-L15 HydrophobicContact CB-CB 3.87Å; P9-L15 HydrophobicContact CG-CB 4.01Å; P9-L15 HydrophobicContact CG-CD1 4.09Å; T11-L15 PolarHBondContact O-N 3.47Å; L12-L15 HydrophobicContact CD1-CD2 4.25Å; L12-L15 WeakPolarHBondContact O-CB 2.89Å; L12-L15 PolarHBondContact O-N 3.33Å; L15-A17 VanDerWaalsContact C-N 3.34Å; L15-A17 PolarHBondContact O-N 2.78Å; L15-I18 PolarHBondContact O-N 2.63Å; L15-L19 HydrophobicContact CD1-CD1 4.01Å; L15-L19 HydrophobicContact CD1-CG 4.09Å; L15-L19 HydrophobicContact CG-CD1 3.89Å; L15-L19 HydrophobicContact CG-CG 4.41Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 3.31Å; L15-I36 HydrophobicContact CD1-CG1 3.95Å; L15-M37 HydrophobicContact CD1-CG 4.43Å; L15-Y40 HydrophobicContact CD2-CD1 3.82Å; L15-Y40 HydrophobicContact CD2-CG 3.88Å; L15-L155 HydrophobicContact CD2-CD2 3.83Å
16	I	98.6	Very high	94.5	Very high	16 Å²	16	59.8 Å²	59.8	8%	0.082	32%	0.316	C	S	.	.	H	α-helix	trans	-57.6	-48.5	176.9	-68.9	163.6	0	0	0	110.1	L12 D13 E14 I18 L19 H20 V63 D64 L72	L12-I16 HydrophobicContact CD1-CD1 4.32Å; L12-I16 HydrophobicContact CD1-CG1 4.4Å; L12-I16 HydrophobicContact CG-CD1 4Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.27Å; L12-I16 PolarHBondContact O-N 3.15Å; D13-I16 PolarHBondContact O-N 3.39Å; E14-I16 VanDerWaalsContact C-N 3.33Å; E14-I16 PolarHBondContact O-N 3.3Å; I16-I18 VanDerWaalsContact C-N 3.31Å; I16-I18 PolarHBondContact O-N 3.22Å; I16-L19 PolarHBondContact O-N 2.92Å; I16-H20 PolarHBondContact O-CD2 3.45Å; I16-H20 VanDerWaalsContact O-CD2 3.28Å; I16-H20 PolarHBondContact O-N 3.45Å; I16-V63 HydrophobicContact CD1-CG1 3.84Å; I16-D64 HydrophobicContact CG2-CB 4.34Å; I16-L72 HydrophobicContact CD1-CD2 4.2Å; I16-L72 HydrophobicContact CG1-CD2 3.57Å
17	A	98.3	Very high	95.8	Very high	51 Å²	51	61.5 Å²	61.5	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-37.3	179.7	0	0	0	0	0	113.1	D13 E14 L15 K21	D13-A17 WeakPolarHBondContact O-CB 3.49Å; D13-A17 PolarHBondContact O-N 3.3Å; E14-A17 PolarHBondContact O-N 3.4Å; L15-A17 VanDerWaalsContact C-N 3.34Å; L15-A17 PolarHBondContact O-N 2.78Å; A17-K21 PolarHBondContact O-N 3.24Å
18	I	97.6	Very high	96.2	Very high	39 Å²	39	58.5 Å²	58.5	20%	0.2	31%	0.306	C	S	.	.	H	α-helix	trans	-70.1	-42.5	175.8	-65	168.5	0	0	0	110.8	V7 P9 E14 L15 I16 H20 K21 I22 I36	V7-I18 WeakPolarHBondContact O-CD1 3.15Å; P9-I18 HydrophobicContact CB-CD1 4.11Å; E14-I18 WeakPolarHBondContact O-CG1 3.37Å; E14-I18 PolarHBondContact O-N 2.81Å; L15-I18 PolarHBondContact O-N 2.63Å; I16-I18 VanDerWaalsContact C-N 3.31Å; I16-I18 PolarHBondContact O-N 3.22Å; I18-H20 VanDerWaalsContact C-N 3.33Å; I18-H20 PolarHBondContact O-N 3.28Å; I18-K21 WeakPolarHBondContact O-CB 3.49Å; I18-K21 PolarHBondContact O-N 3.33Å; I18-K21 VanDerWaalsContact O-N 3.13Å; I18-I22 HydrophobicContact CG2-CD1 3.86Å; I18-I22 HydrophobicContact CG2-CG1 4.34Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 3.41Å; I18-I36 HydrophobicContact CB-CD1 4.45Å; I18-I36 HydrophobicContact CB-CG1 4.36Å; I18-I36 HydrophobicContact CD1-CD1 3.76Å; I18-I36 HydrophobicContact CD1-CG1 4.46Å; I18-I36 HydrophobicContact CG2-CD1 3.81Å; I18-I36 HydrophobicContact CG2-CG1 3.72Å
19	L	97.9	Very high	96.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.8	-43.4	176.2	-69.4	167.9	0	0	0	111.2	L15 I16 K21 I22 F23 V33 I36 M37 F70 L72 L157	L15-L19 HydrophobicContact CD1-CD1 4.01Å; L15-L19 HydrophobicContact CD1-CG 4.09Å; L15-L19 HydrophobicContact CG-CD1 3.89Å; L15-L19 HydrophobicContact CG-CG 4.41Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 3.31Å; I16-L19 PolarHBondContact O-N 2.92Å; L19-K21 VanDerWaalsContact C-N 3.27Å; L19-K21 PolarHBondContact O-N 2.92Å; L19-I22 PolarHBondContact O-N 2.93Å; L19-F23 HydrophobicContact CD2-CE2 4.22Å; L19-F23 VanDerWaalsContact O-CD2 3.26Å; L19-F23 WeakPolarHBondContact O-CD2 3.28Å; L19-F23 PolarHBondContact O-N 3.19Å; L19-V33 HydrophobicContact CD2-CG1 4.15Å; L19-I36 HydrophobicContact CD2-CG2 4.09Å; L19-M37 HydrophobicContact CD2-CG 4.3Å; L19-F70 HydrophobicContact CB-CZ 4.15Å; L19-L72 HydrophobicContact CD1-CD1 4.3Å; L19-L72 HydrophobicContact CD1-CD2 4.4Å; L19-L157 HydrophobicContact CD1-CD1 3.82Å; L19-L157 HydrophobicContact CD2-CD1 3.73Å; L19-L157 HydrophobicContact CG-CD1 4.23Å
20	H	98.1	Very high	96.3	Very high	51 Å²	51	60.4 Å²	60.4	24%	0.236	32%	0.321	C	S	.	.	H	α-helix	trans	-52.2	-46	173.5	-90.1	-96.8	0	0	0	112.1	I16 I18 F23 E24 D64 G66 N67 F70	I16-H20 PolarHBondContact O-CD2 3.45Å; I16-H20 VanDerWaalsContact O-CD2 3.28Å; I16-H20 PolarHBondContact O-N 3.45Å; I18-H20 VanDerWaalsContact C-N 3.33Å; I18-H20 PolarHBondContact O-N 3.28Å; H20-F23 CarbonylContact O-C 3.54Å; H20-F23 PolarHBondContact O-N 2.95Å; H20-E24 WeakPolarHBondContact O-CG 3.26Å; H20-E24 PolarHBondContact O-N 2.97Å; H20-E24 VanDerWaalsContact O-N 3.14Å; H20-D64 IonicContact CD2-OD1 2.72Å; H20-D64 IonicContact CE1-OD1 3.98Å; H20-D64 IonicContact NE2-OD1 3.97Å; H20-D64 PolarHBondContact NE2-OD1 2.77Å; H20-D64 IonicContact NE2-OD2 2.6Å; H20-G66 PolarHBondContact CE1-O 2.92Å; H20-N67 PolarHBondContact O-ND2 2.91Å; H20-F70 AromaticContact CD2-CZ 3.74Å; H20-F70 AromaticContact NE2-CZ 3.9Å
21	K	96.6	Very high	96.3	Very high	144 Å²	144	62.3 Å²	62.3	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-65.3	-45.4	177.4	-67.3	175.8	-178.9	176.7	0	112.9	A17 I18 L19 F23 E24	A17-K21 PolarHBondContact O-N 3.24Å; I18-K21 WeakPolarHBondContact O-CB 3.49Å; I18-K21 PolarHBondContact O-N 3.33Å; I18-K21 VanDerWaalsContact O-N 3.13Å; L19-K21 VanDerWaalsContact C-N 3.27Å; L19-K21 PolarHBondContact O-N 2.92Å; K21-F23 VanDerWaalsContact C-N 3.27Å; K21-F23 PolarHBondContact O-N 3.18Å; K21-E24 WeakPolarHBondContact O-CB 3.48Å; K21-E24 PolarHBondContact O-N 3.43Å; K21-E24 VanDerWaalsContact O-N 3.1Å
22	I	96.1	Very high	96.2	Very high	26 Å²	26	63 Å²	63	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-59.2	-44.4	178.8	-67.8	167.1	0	0	0	110.1	I18 L19 E24 S25 E32 V33 I36	I18-I22 HydrophobicContact CG2-CD1 3.86Å; I18-I22 HydrophobicContact CG2-CG1 4.34Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 3.41Å; L19-I22 PolarHBondContact O-N 2.93Å; I22-E24 VanDerWaalsContact C-N 3.26Å; I22-E24 PolarHBondContact O-N 2.92Å; I22-S25 PolarHBondContact O-N 2.95Å; I22-E32 HydrophobicContact CD1-CG 4.2Å; I22-V33 HydrophobicContact CG2-CG2 3.73Å; I22-I36 HydrophobicContact CD1-CB 4.45Å; I22-I36 HydrophobicContact CD1-CG2 3.77Å
23	F	96.8	Very high	96.2	Very high	3 Å²	3	62.9 Å²	62.9	1%	0.013	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	8.1	179.4	-72.9	-84.1	0	0	0	113.5	L19 H20 K21 I28 V33 N67 K69 F70 L157 S159	L19-F23 HydrophobicContact CD2-CE2 4.22Å; L19-F23 VanDerWaalsContact O-CD2 3.26Å; L19-F23 WeakPolarHBondContact O-CD2 3.28Å; L19-F23 PolarHBondContact O-N 3.19Å; H20-F23 CarbonylContact O-C 3.54Å; H20-F23 PolarHBondContact O-N 2.95Å; K21-F23 VanDerWaalsContact C-N 3.27Å; K21-F23 PolarHBondContact O-N 3.18Å; F23-I28 HydrophobicContact CD1-CD1 4.32Å; F23-I28 HydrophobicContact CD1-CG1 4.15Å; F23-I28 HydrophobicContact CE1-CD1 3.71Å; F23-I28 HydrophobicContact CE1-CG1 3.72Å; F23-I28 HydrophobicContact CE1-CG2 4.27Å; F23-I28 HydrophobicContact CZ-CG2 4.45Å; F23-V33 HydrophobicContact CE2-CG1 4.23Å; F23-V33 HydrophobicContact CE2-CG2 3.95Å; F23-V33 HydrophobicContact CZ-CG1 4.32Å; F23-V33 HydrophobicContact CZ-CG2 3.95Å; F23-N67 PolarHBondContact O-ND2 2.92Å; F23-K69 WeakPolarHBondContact O-CD 3.47Å; F23-K69 PolarHBondContact O-NZ 2.97Å; F23-F70 HydrophobicContact CB-CD1 3.66Å; F23-F70 HydrophobicContact CB-CE1 3.98Å; F23-F70 HydrophobicContact CD1-CB 4.41Å; F23-F70 HydrophobicContact CD1-CD1 4.29Å; F23-F70 AromaticContact CD2-CD1 3.72Å; F23-F70 HydrophobicContact CD2-CD1 3.72Å; F23-F70 HydrophobicContact CD2-CE1 4.1Å; F23-F70 HydrophobicContact CD2-CG 4.23Å; F23-F70 HydrophobicContact CE1-CB 4.48Å; F23-F70 HydrophobicContact CE2-CD1 4.5Å; F23-F70 HydrophobicContact CG-CB 4.5Å; F23-F70 AromaticContact CG-CD1 3.62Å; F23-F70 HydrophobicContact CG-CD1 3.62Å; F23-F70 HydrophobicContact CG-CE1 4.22Å; F23-F70 HydrophobicContact CG-CG 4.32Å; F23-L157 HydrophobicContact CE1-CD2 4.28Å; F23-L157 HydrophobicContact CE2-CD1 3.72Å; F23-L157 HydrophobicContact CE2-CD2 3.82Å; F23-L157 HydrophobicContact CE2-CG 4.44Å; F23-L157 HydrophobicContact CZ-CD1 4.24Å; F23-L157 HydrophobicContact CZ-CD2 3.46Å; F23-L157 VanDerWaalsContact CZ-CD2 3.46Å; F23-S159 VanDerWaalsContact CE1-CB 3.43Å; F23-S159 VanDerWaalsContact CE1-OG 3.27Å; F23-S159 WeakPolarHBondContact CE1-OG 3.41Å
24	E	95.8	Very high	96.2	Very high	137 Å²	137	60.3 Å²	60.3	64%	0.64	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.3	164.5	-75.2	173.4	-174	0	0	110.7	H20 K21 I22 K69	H20-E24 WeakPolarHBondContact O-CG 3.26Å; H20-E24 PolarHBondContact O-N 2.97Å; H20-E24 VanDerWaalsContact O-N 3.14Å; K21-E24 WeakPolarHBondContact O-CB 3.48Å; K21-E24 PolarHBondContact O-N 3.43Å; K21-E24 VanDerWaalsContact O-N 3.1Å; I22-E24 VanDerWaalsContact C-N 3.26Å; I22-E24 PolarHBondContact O-N 2.92Å; E24-K69 PolarHBondContact O-NZ 2.8Å
25	S	93.1	Very high	96.1	Very high	56 Å²	56	59.9 Å²	59.9	39%	0.392	32%	0.315	S	S	.	.	S	Bend	trans	-66.6	152.7	173.4	-172.4	0	0	0	0	112.2	I22 T27 K69	I22-S25 PolarHBondContact O-N 2.95Å; S25-T27 PolarHBondContact OG-N 3.25Å; S25-T27 PolarHBondContact OG-O 3Å; S25-T27 PolarHBondContact OG-OG1 3.08Å; S25-K69 VanDerWaalsContact C-NZ 3.33Å; S25-K69 PolarHBondContact O-NZ 2.75Å
26	D	89.5	Confident	96.1	Very high	144 Å²	144	59.9 Å²	59.9	77%	0.77	32%	0.315	S	S	*	.	S	Bend	trans	-87.5	-9.2	171.7	-66	-30.1	0	0	0	112.4	K69	D26-K69 WeakPolarHBondContact OD1-CE 3.16Å; D26-K69 IonicContact OD1-NZ 2.69Å; D26-K69 PolarHBondContact OD1-NZ 3.31Å
27	T	90.6	Very high	96.1	Very high	108 Å²	108	59.1 Å²	59.1	66%	0.663	31%	0.311	S	S	*	.	S	Bend	trans	-110.1	129.1	175.8	60.8	0	0	0	0	110.2	S25	S25-T27 PolarHBondContact OG-N 3.25Å; S25-T27 PolarHBondContact OG-O 3Å; S25-T27 PolarHBondContact OG-OG1 3.08Å
28	I	91.9	Very high	96.1	Very high	47 Å²	47	59.9 Å²	59.9	24%	0.241	31%	0.305	C	S	.	.			trans	-96.3	118	-179	-62.8	162.8	0	0	0	109.5	F23 V30 V33 H92 F94 S159	F23-I28 HydrophobicContact CD1-CD1 4.32Å; F23-I28 HydrophobicContact CD1-CG1 4.15Å; F23-I28 HydrophobicContact CE1-CD1 3.71Å; F23-I28 HydrophobicContact CE1-CG1 3.72Å; F23-I28 HydrophobicContact CE1-CG2 4.27Å; F23-I28 HydrophobicContact CZ-CG2 4.45Å; I28-V30 HydrophobicContact CG2-CG2 4.46Å; I28-V30 PolarHBondContact O-N 2.94Å; I28-V33 HydrophobicContact CG2-CG2 4.34Å; I28-H92 WeakPolarHBondContact CD1-CD2 3.21Å; I28-F94 HydrophobicContact CG2-CZ 4.36Å; I28-S159 WeakPolarHBondContact CD1-OG 3.32Å
29	N	95.9	Very high	96.1	Very high	82 Å²	82	59.7 Å²	59.7	44%	0.439	31%	0.308	S	S	.	.			trans	-84.7	101.2	165.4	-176.1	-9.7	0	0	0	109.1	E31 E32 V33	N29-E31 VanDerWaalsContact C-N 3.3Å; N29-E31 PolarHBondContact O-N 3.2Å; N29-E31 PolarHBondContact OD1-N 3.34Å; N29-E32 HydrophobicContact CB-CB 3.87Å; N29-E32 PolarHBondContact O-N 3.2Å; N29-E32 PolarHBondContact OD1-N 2.79Å; N29-V33 PolarHBondContact O-N 2.87Å; N29-V33 VanDerWaalsContact O-N 3.17Å
30	V	96.8	Very high	96.1	Very high	33 Å²	33	59.7 Å²	59.7	20%	0.2	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-41.4	-176.6	174.8	0	0	0	0	111.9	I28 E32 V33 Q34 F94 Y133	I28-V30 HydrophobicContact CG2-CG2 4.46Å; I28-V30 PolarHBondContact O-N 2.94Å; V30-E32 PolarHBondContact O-N 3.12Å; V30-V33 PolarHBondContact O-N 2.94Å; V30-Q34 HydrophobicContact CG1-CG 4.34Å; V30-Q34 WeakPolarHBondContact O-CB 3.32Å; V30-Q34 WeakPolarHBondContact O-CG 3.48Å; V30-Q34 PolarHBondContact O-N 2.88Å; V30-F94 HydrophobicContact CG1-CE1 3.92Å; V30-F94 HydrophobicContact CG1-CZ 4.3Å; V30-Y133 HydrophobicContact CB-CE2 4.49Å; V30-Y133 HydrophobicContact CG1-CD1 3.75Å; V30-Y133 HydrophobicContact CG1-CD2 3.65Å; V30-Y133 HydrophobicContact CG1-CE1 3.76Å; V30-Y133 HydrophobicContact CG1-CE2 3.65Å; V30-Y133 HydrophobicContact CG1-CG 3.69Å; V30-Y133 HydrophobicContact CG2-CE1 4.43Å; V30-Y133 HydrophobicContact CG2-CE2 3.99Å
31	E	96.8	Very high	96.1	Very high	129 Å²	129	62.2 Å²	62.2	60%	0.603	32%	0.32	S	S	*	.	H	α-helix	trans	-66	-40.7	-178.4	-175.4	178.3	-178.1	0	0	111.4	N29 Q34 N35	N29-E31 VanDerWaalsContact C-N 3.3Å; N29-E31 PolarHBondContact O-N 3.2Å; N29-E31 PolarHBondContact OD1-N 3.34Å; E31-Q34 PolarHBondContact O-N 3.06Å; E31-N35 VanDerWaalsContact O-CB 3.28Å; E31-N35 WeakPolarHBondContact O-CB 3.47Å; E31-N35 PolarHBondContact O-N 2.76Å; E31-N35 PolarHBondContact O-ND2 2.84Å
32	E	96.8	Very high	96.2	Very high	60 Å²	60	56 Å²	56	28%	0.28	30%	0.295	S	S	.	.	H	α-helix	trans	-61.3	-47.3	176.2	-177.8	177.8	-166.7	0	0	111.7	I22 N29 V30 N35 I36	I22-E32 HydrophobicContact CD1-CG 4.2Å; N29-E32 HydrophobicContact CB-CB 3.87Å; N29-E32 PolarHBondContact O-N 3.2Å; N29-E32 PolarHBondContact OD1-N 2.79Å; V30-E32 PolarHBondContact O-N 3.12Å; E32-N35 PolarHBondContact O-N 2.86Å; E32-I36 WeakPolarHBondContact O-CG2 3.4Å; E32-I36 PolarHBondContact O-N 3.05Å
33	V	97.9	Very high	96.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-42.3	178.4	179.8	0	0	0	0	111.2	L19 I22 F23 I28 N29 V30 I36 M37 F94	L19-V33 HydrophobicContact CD2-CG1 4.15Å; I22-V33 HydrophobicContact CG2-CG2 3.73Å; F23-V33 HydrophobicContact CE2-CG1 4.23Å; F23-V33 HydrophobicContact CE2-CG2 3.95Å; F23-V33 HydrophobicContact CZ-CG1 4.32Å; F23-V33 HydrophobicContact CZ-CG2 3.95Å; I28-V33 HydrophobicContact CG2-CG2 4.34Å; N29-V33 PolarHBondContact O-N 2.87Å; N29-V33 VanDerWaalsContact O-N 3.17Å; V30-V33 PolarHBondContact O-N 2.94Å; V33-I36 VanDerWaalsContact O-CG2 3.26Å; V33-I36 WeakPolarHBondContact O-CG2 3.36Å; V33-M37 HydrophobicContact CG1-CG 4.41Å; V33-M37 HydrophobicContact CG1-SD 4Å; V33-M37 WeakPolarHBondContact O-CB 3.47Å; V33-M37 VanDerWaalsContact O-CG 3.29Å; V33-M37 WeakPolarHBondContact O-CG 3.27Å; V33-M37 PolarHBondContact O-N 2.9Å; V33-F94 HydrophobicContact CB-CD1 4.2Å; V33-F94 HydrophobicContact CB-CE1 3.58Å; V33-F94 HydrophobicContact CB-CE2 4.35Å; V33-F94 HydrophobicContact CB-CZ 3.67Å; V33-F94 HydrophobicContact CG1-CD1 3.71Å; V33-F94 HydrophobicContact CG1-CD2 3.97Å; V33-F94 HydrophobicContact CG1-CE1 3.54Å; V33-F94 HydrophobicContact CG1-CE2 3.81Å; V33-F94 HydrophobicContact CG1-CG 3.93Å; V33-F94 HydrophobicContact CG1-CZ 3.6Å; V33-F94 HydrophobicContact CG2-CZ 4.25Å
34	Q	97.8	Very high	96.4	Very high	51 Å²	51	60.3 Å²	60.3	24%	0.238	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-46.4	175.3	-75.6	-173.9	-79.1	0	0	111.4	V30 E31 M37 E38 F94 V131	V30-Q34 HydrophobicContact CG1-CG 4.34Å; V30-Q34 WeakPolarHBondContact O-CB 3.32Å; V30-Q34 WeakPolarHBondContact O-CG 3.48Å; V30-Q34 PolarHBondContact O-N 2.88Å; E31-Q34 PolarHBondContact O-N 3.06Å; Q34-M37 PolarHBondContact O-N 3.46Å; Q34-E38 WeakPolarHBondContact O-CB 3.37Å; Q34-E38 PolarHBondContact O-N 3.38Å; Q34-F94 HydrophobicContact CG-CD1 3.7Å; Q34-F94 HydrophobicContact CG-CE1 3.8Å; Q34-V131 HydrophobicContact CB-CG1 4.39Å; Q34-V131 HydrophobicContact CG-CG1 4.13Å
35	N	97.4	Very high	96.5	Very high	80 Å²	80	61 Å²	61	43%	0.428	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-45.3	-178.1	-72.4	-19.8	0	0	0	111.9	E31 E32 E38 S39	E31-N35 VanDerWaalsContact O-CB 3.28Å; E31-N35 WeakPolarHBondContact O-CB 3.47Å; E31-N35 PolarHBondContact O-N 2.76Å; E31-N35 PolarHBondContact O-ND2 2.84Å; E32-N35 PolarHBondContact O-N 2.86Å; N35-E38 PolarHBondContact O-N 2.79Å; N35-S39 VanDerWaalsContact O-CB 3.31Å; N35-S39 WeakPolarHBondContact O-CB 3.43Å; N35-S39 PolarHBondContact O-N 3.32Å; N35-S39 PolarHBondContact O-OG 3.04Å
36	I	98.1	Very high	96.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-43.9	178	-170.9	73.3	0	0	0	111.1	V6 V7 P9 L15 I18 L19 I22 E32 V33 E38 S39 Y40	V6-I36 HydrophobicContact CG1-CB 4.11Å; V6-I36 HydrophobicContact CG1-CD1 3.34Å; V6-I36 HydrophobicContact CG1-CG1 4.29Å; V7-I36 WeakPolarHBondContact O-CD1 3.42Å; P9-I36 HydrophobicContact CG-CD1 4.12Å; P9-I36 HydrophobicContact CG-CG1 4.42Å; L15-I36 HydrophobicContact CD1-CG1 3.95Å; I18-I36 HydrophobicContact CB-CD1 4.45Å; I18-I36 HydrophobicContact CB-CG1 4.36Å; I18-I36 HydrophobicContact CD1-CD1 3.76Å; I18-I36 HydrophobicContact CD1-CG1 4.46Å; I18-I36 HydrophobicContact CG2-CD1 3.81Å; I18-I36 HydrophobicContact CG2-CG1 3.72Å; L19-I36 HydrophobicContact CD2-CG2 4.09Å; I22-I36 HydrophobicContact CD1-CB 4.45Å; I22-I36 HydrophobicContact CD1-CG2 3.77Å; E32-I36 WeakPolarHBondContact O-CG2 3.4Å; E32-I36 PolarHBondContact O-N 3.05Å; V33-I36 VanDerWaalsContact O-CG2 3.26Å; V33-I36 WeakPolarHBondContact O-CG2 3.36Å; I36-E38 PolarHBondContact O-N 3.45Å; I36-S39 PolarHBondContact O-N 2.78Å; I36-S39 PolarHBondContact O-OG 3.1Å; I36-Y40 PolarHBondContact O-N 3.24Å
37	M	98.4	Very high	97.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-41.2	177	-72.2	-176.3	74.9	0	0	111.1	L15 L19 V33 Q34 S39 F94 K96 V131 L155 L157	L15-M37 HydrophobicContact CD1-CG 4.43Å; L19-M37 HydrophobicContact CD2-CG 4.3Å; V33-M37 HydrophobicContact CG1-CG 4.41Å; V33-M37 HydrophobicContact CG1-SD 4Å; V33-M37 WeakPolarHBondContact O-CB 3.47Å; V33-M37 VanDerWaalsContact O-CG 3.29Å; V33-M37 WeakPolarHBondContact O-CG 3.27Å; V33-M37 PolarHBondContact O-N 2.9Å; Q34-M37 PolarHBondContact O-N 3.46Å; M37-S39 VanDerWaalsContact C-N 3.34Å; M37-F94 HydrophobicContact CE-CB 4.05Å; M37-F94 HydrophobicContact SD-CB 3.52Å; M37-F94 VanDerWaalsContact SD-CB 3.52Å; M37-F94 HydrophobicContact SD-CD1 4.49Å; M37-F94 HydrophobicContact SD-CG 4.07Å; M37-K96 HydrophobicContact CE-CB 4.15Å; M37-K96 WeakPolarHBondContact O-CD 3.39Å; M37-K96 VanDerWaalsContact O-CE 3.3Å; M37-K96 WeakPolarHBondContact O-CE 3.35Å; M37-K96 PolarHBondContact O-NZ 3.3Å; M37-V131 HydrophobicContact CB-CG2 3.94Å; M37-L155 HydrophobicContact CE-CD2 4.22Å; M37-L155 HydrophobicContact CE-CG 4.33Å; M37-L157 HydrophobicContact CE-CB 4.13Å; M37-L157 HydrophobicContact SD-CB 4.1Å; M37-L157 HydrophobicContact SD-CD1 4.45Å
38	E	98	Very high	97.5	Very high	67 Å²	67	52 Å²	52	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-36.8	178.4	-171.9	158.5	-178.2	0	0	111.4	Q34 N35 I36 Y40 K96 K130 V131	Q34-E38 WeakPolarHBondContact O-CB 3.37Å; Q34-E38 PolarHBondContact O-N 3.38Å; N35-E38 PolarHBondContact O-N 2.79Å; I36-E38 PolarHBondContact O-N 3.45Å; E38-Y40 VanDerWaalsContact C-N 3.33Å; E38-Y40 PolarHBondContact O-N 3.48Å; E38-K96 PolarHBondContact O-NZ 2.78Å; E38-K96 VanDerWaalsContact O-NZ 3.09Å; E38-K130 WeakPolarHBondContact OE1-CD 3.41Å; E38-K130 IonicContact OE1-NZ 3.96Å; E38-K130 PolarHBondContact OE1-NZ 2.95Å; E38-V131 HydrophobicContact CB-CB 4.32Å; E38-V131 HydrophobicContact CB-CG2 3.65Å; E38-V131 HydrophobicContact CG-CG2 4.39Å
39	S	97.7	Very high	97.8	Very high	35 Å²	35	54.9 Å²	54.9	25%	0.245	28%	0.277	C	S	.	.	H	α-helix	trans	-67.8	-25.7	-179.1	76.3	0	0	0	0	114.7	K8 P9 N35 I36 M37 E41	K8-S39 WeakPolarHBondContact CE-O 3.34Å; K8-S39 WeakPolarHBondContact CG-O 3.48Å; P9-S39 WeakPolarHBondContact CD-OG 3.38Å; N35-S39 VanDerWaalsContact O-CB 3.31Å; N35-S39 WeakPolarHBondContact O-CB 3.43Å; N35-S39 PolarHBondContact O-N 3.32Å; N35-S39 PolarHBondContact O-OG 3.04Å; I36-S39 PolarHBondContact O-N 2.78Å; I36-S39 PolarHBondContact O-OG 3.1Å; M37-S39 VanDerWaalsContact C-N 3.34Å; S39-E41 PolarHBondContact O-N 3.41Å
40	Y	98.2	Very high	97.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-62.5	121.5	169.7	172.1	-121	0	0	0	110	L12 L15 I36 E38 E46 K96 L98	L12-Y40 HydrophobicContact CB-CE2 4.46Å; L15-Y40 HydrophobicContact CD2-CD1 3.82Å; L15-Y40 HydrophobicContact CD2-CG 3.88Å; I36-Y40 PolarHBondContact O-N 3.24Å; E38-Y40 VanDerWaalsContact C-N 3.33Å; E38-Y40 PolarHBondContact O-N 3.48Å; Y40-E46 VanDerWaalsContact CE2-OE2 3.27Å; Y40-E46 WeakPolarHBondContact CE2-OE2 3.46Å; Y40-E46 PolarHBondContact OH-OE2 3.13Å; Y40-K96 HydrophobicContact CD1-CD 4.11Å; Y40-K96 WeakPolarHBondContact O-CE 3.35Å; Y40-K96 PolarHBondContact O-NZ 3.24Å; Y40-L98 HydrophobicContact CE1-CD2 4.05Å
41	E	98.3	Very high	98	Very high	105 Å²	105	51.1 Å²	51.1	49%	0.491	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-86.9	121.9	172.2	-73.5	175.6	-157.1	0	0	110	K8 S39 K43	K8-E41 VanDerWaalsContact NZ-CD 3.33Å; K8-E41 IonicContact NZ-OE1 3.65Å; K8-E41 PolarHBondContact NZ-OE1 3.42Å; K8-E41 IonicContact NZ-OE2 3.81Å; S39-E41 PolarHBondContact O-N 3.41Å; E41-K43 PolarHBondContact O-N 3.4Å
42	S	98.4	Very high	98	Very high	14 Å²	14	48.8 Å²	48.8	10%	0.098	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-58.5	124.1	-179	-177.1	0	0	0	0	111.5	W47 L98 N129	S42-W47 PolarHBondContact OG-NE1 3.01Å; S42-L98 VanDerWaalsContact CB-O 3.29Å; S42-L98 WeakPolarHBondContact CB-O 3.28Å; S42-L98 WeakPolarHBondContact OG-CA 3.48Å; S42-L98 PolarHBondContact OG-O 3.17Å; S42-N129 VanDerWaalsContact CB-OD1 3.29Å; S42-N129 WeakPolarHBondContact CB-OD1 3.25Å; S42-N129 PolarHBondContact N-OD1 3.39Å
43	K	98.3	Very high	98.1	Very high	56 Å²	56	49.6 Å²	49.6	24%	0.243	25%	0.248	C	C	.	.			trans	-123.8	103.9	177.4	-73	169.3	-170.3	176.8	0	108.7	E10 E41 H45 E46 W47	E10-K43 PolarHBondContact O-NZ 3.35Å; E10-K43 IonicContact OE2-NZ 2.81Å; E41-K43 PolarHBondContact O-N 3.4Å; K43-H45 PolarHBondContact O-N 2.97Å; K43-E46 HydrophobicContact CB-CG 3.86Å; K43-E46 WeakPolarHBondContact O-CB 3.09Å; K43-E46 PolarHBondContact O-N 3.35Å; K43-W47 PolarHBondContact O-NE1 3.48Å
44	P	98.1	Very high	98	Very high	63 Å²	63	51.3 Å²	51.3	41%	0.409	26%	0.257	S	S	.	.	H	α-helix	trans	-49.5	-39.2	-172.9	-32.2	35.9	0	0	0	115.2	E46 W47 T48	P44-E46 PolarHBondContact O-N 3.41Å; P44-W47 VanDerWaalsContact CA-CE2 3.5Å; P44-W47 HydrophobicContact CB-CH2 4.43Å; P44-W47 HydrophobicContact CB-CZ2 3.97Å; P44-W47 HydrophobicContact CG-CZ2 3.99Å; P44-W47 PolarHBondContact O-N 2.88Å; P44-T48 VanDerWaalsContact O-CB 3.31Å; P44-T48 WeakPolarHBondContact O-CB 3.44Å; P44-T48 PolarHBondContact O-N 3.06Å; P44-T48 PolarHBondContact O-OG1 3.28Å
45	H	98.2	Very high	97.9	Very high	150 Å²	150	55.8 Å²	55.8	69%	0.694	28%	0.278	S	S	*	.	H	α-helix	trans	-62.4	-22.7	-179.5	63.9	-90.5	0	0	0	114.2	K43	K43-H45 PolarHBondContact O-N 2.97Å
46	E	98.1	Very high	97.8	Very high	33 Å²	33	60.6 Å²	60.6	15%	0.154	29%	0.292	C	S	.	.	H	α-helix	trans	-79.5	-31.3	179.2	-59.6	-173.6	162	0	0	112.4	T11 L12 Y40 K43 P44	T11-E46 VanDerWaalsContact CA-OE1 3.3Å; T11-E46 WeakPolarHBondContact CA-OE1 3.25Å; T11-E46 WeakPolarHBondContact CA-OE2 3.26Å; T11-E46 WeakPolarHBondContact CB-OE1 3.48Å; T11-E46 WeakPolarHBondContact CG2-OE1 3.32Å; L12-E46 HydrophobicContact CB-CB 4.12Å; L12-E46 PolarHBondContact N-OE2 3.1Å; Y40-E46 VanDerWaalsContact CE2-OE2 3.27Å; Y40-E46 WeakPolarHBondContact CE2-OE2 3.46Å; Y40-E46 PolarHBondContact OH-OE2 3.13Å; K43-E46 HydrophobicContact CB-CG 3.86Å; K43-E46 WeakPolarHBondContact O-CB 3.09Å; K43-E46 PolarHBondContact O-N 3.35Å; P44-E46 PolarHBondContact O-N 3.41Å
47	W	98.4	Very high	97.6	Very high	6 Å²	6	63.5 Å²	63.5	2%	0.023	30%	0.303	C	S	.	.	H	α-helix	trans	-116.4	-10	-171.5	57	-106.9	0	0	0	115	L12 S42 K43 P44 K49 Y50 A51 I74 L98 Q99 A153	L12-W47 HydrophobicContact CD2-CB 3.99Å; S42-W47 PolarHBondContact OG-NE1 3.01Å; K43-W47 PolarHBondContact O-NE1 3.48Å; P44-W47 VanDerWaalsContact CA-CE2 3.5Å; P44-W47 HydrophobicContact CB-CH2 4.43Å; P44-W47 HydrophobicContact CB-CZ2 3.97Å; P44-W47 HydrophobicContact CG-CZ2 3.99Å; P44-W47 PolarHBondContact O-N 2.88Å; W47-K49 PolarHBondContact O-N 2.62Å; W47-Y50 HydrophobicContact CB-CD2 4.4Å; W47-Y50 WeakPolarHBondContact O-CB 3.26Å; W47-Y50 PolarHBondContact O-N 3.05Å; W47-A51 HydrophobicContact CE3-CB 3.91Å; W47-A51 HydrophobicContact CZ3-CB 3.75Å; W47-A51 PolarHBondContact O-N 2.79Å; W47-I74 HydrophobicContact CB-CD1 3.58Å; W47-I74 HydrophobicContact CG-CD1 4.35Å; W47-L98 HydrophobicContact CD2-CD1 4.05Å; W47-L98 HydrophobicContact CG-CD1 4.01Å; W47-L98 HydrophobicContact CZ2-CB 4.11Å; W47-Q99 HydrophobicContact CH2-CB 4.03Å; W47-Q99 HydrophobicContact CZ2-CB 4.14Å; W47-A153 HydrophobicContact CH2-CB 4.08Å; W47-A153 HydrophobicContact CZ3-CB 4.04Å
48	T	97.9	Very high	97.6	Very high	80 Å²	80	64 Å²	64	49%	0.491	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-54.9	-30.9	180	-67.4	0	0	0	0	112.6	P44 Y50 A51	P44-T48 VanDerWaalsContact O-CB 3.31Å; P44-T48 WeakPolarHBondContact O-CB 3.44Å; P44-T48 PolarHBondContact O-N 3.06Å; P44-T48 PolarHBondContact O-OG1 3.28Å; T48-Y50 PolarHBondContact O-N 3.37Å; T48-Y50 VanDerWaalsContact O-N 3.16Å; T48-A51 PolarHBondContact O-N 2.87Å
49	K	98.3	Very high	97.6	Very high	108 Å²	108	61 Å²	61	47%	0.47	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-58.5	-28	175.8	69.7	-174.1	-174.9	-174.3	0	113.3	W47 K52 G187	W47-K49 PolarHBondContact O-N 2.62Å; K49-K52 WeakPolarHBondContact O-CE 3.17Å; K49-K52 PolarHBondContact O-NZ 2.66Å; K49-G187 WeakPolarHBondContact O-CA 3.44Å
50	Y	98.6	Very high	97.6	Very high	16 Å²	16	60.2 Å²	60.2	6%	0.063	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-93.8	-12.8	177	-49.4	-65.8	0	0	0	113.4	L12 W47 T48 K52 N61 V63 I74	L12-Y50 HydrophobicContact CD2-CD2 4.38Å; L12-Y50 HydrophobicContact CD2-CE2 3.91Å; W47-Y50 HydrophobicContact CB-CD2 4.4Å; W47-Y50 WeakPolarHBondContact O-CB 3.26Å; W47-Y50 PolarHBondContact O-N 3.05Å; T48-Y50 PolarHBondContact O-N 3.37Å; T48-Y50 VanDerWaalsContact O-N 3.16Å; Y50-K52 VanDerWaalsContact C-N 3.28Å; Y50-K52 PolarHBondContact O-N 2.87Å; Y50-N61 WeakPolarHBondContact O-CB 3.44Å; Y50-N61 PolarHBondContact O-ND2 3.14Å; Y50-V63 HydrophobicContact CD1-CG2 4.16Å; Y50-V63 HydrophobicContact CD2-CG1 4.33Å; Y50-V63 HydrophobicContact CD2-CG2 3.83Å; Y50-V63 HydrophobicContact CE1-CG1 4.37Å; Y50-V63 HydrophobicContact CE1-CG2 4.45Å; Y50-V63 HydrophobicContact CE2-CB 4.46Å; Y50-V63 HydrophobicContact CE2-CG1 3.77Å; Y50-V63 HydrophobicContact CE2-CG2 4.11Å; Y50-V63 HydrophobicContact CG-CG2 3.83Å; Y50-I74 HydrophobicContact CD2-CD1 3.97Å; Y50-I74 HydrophobicContact CG-CD1 4.38Å
51	A	98	Very high	97.7	Very high	20 Å²	20	60.2 Å²	60.2	17%	0.165	28%	0.283	C	S	.	.			trans	-79.1	69.2	-173.1	0	0	0	0	0	112.5	W47 T48 F53 C76	W47-A51 HydrophobicContact CE3-CB 3.91Å; W47-A51 HydrophobicContact CZ3-CB 3.75Å; W47-A51 PolarHBondContact O-N 2.79Å; T48-A51 PolarHBondContact O-N 2.87Å; A51-F53 HydrophobicContact CB-CE2 4.23Å; A51-C76 WeakPolarHBondContact CA-SG 3.45Å
52	K	97.9	Very high	97.7	Very high	80 Å²	80	55.2 Å²	55.2	35%	0.348	26%	0.259	S	S	.	.			trans	-98.4	98.2	-176.8	-52	-65.6	-171	-175.2	0	110.4	K49 Y50 T59 G187	K49-K52 WeakPolarHBondContact O-CE 3.17Å; K49-K52 PolarHBondContact O-NZ 2.66Å; Y50-K52 VanDerWaalsContact C-N 3.28Å; Y50-K52 PolarHBondContact O-N 2.87Å; K52-T59 WeakPolarHBondContact O-CB 3.47Å; K52-T59 WeakPolarHBondContact O-CG2 3.47Å; K52-T59 PolarHBondContact O-OG1 2.77Å; K52-G187 WeakPolarHBondContact CE-O 3.41Å; K52-G187 PolarHBondContact NZ-O 2.84Å
53	F	97.9	Very high	97.7	Very high	78 Å²	78	54.7 Å²	54.7	34%	0.342	26%	0.255	S	S	.	.			trans	-75.6	157	178.6	-68.3	-99	0	0	0	112.6	A51 C76 C151	A51-F53 HydrophobicContact CB-CE2 4.23Å; F53-C76 HydrophobicContact CD1-CB 3.62Å; F53-C76 HydrophobicContact CD2-CB 4.08Å; F53-C76 HydrophobicContact CE1-CB 3.55Å; F53-C76 HydrophobicContact CE2-CB 4.02Å; F53-C76 HydrophobicContact CG-CB 3.88Å; F53-C76 HydrophobicContact CZ-CB 3.76Å; F53-C151 HydrophobicContact CE1-CB 3.7Å; F53-C151 HydrophobicContact CZ-CB 4Å
54	D	96.8	Very high	97.7	Very high	36 Å²	36	53.7 Å²	53.7	19%	0.193	25%	0.253	C	S	.	.			trans	-119.5	154.3	163.7	178.2	-96.9	0	0	0	108.5	Y56 R57 T59 H81 W183	D54-Y56 PolarHBondContact OD1-N 3.17Å; D54-R57 HydrophobicContact CB-CG 4.44Å; D54-R57 WeakPolarHBondContact OD1-CG 3.5Å; D54-R57 PolarHBondContact OD1-N 3.44Å; D54-T59 HydrophobicContact CB-CG2 3.42Å; D54-T59 VanDerWaalsContact CB-CG2 3.42Å; D54-H81 PolarHBondContact O-CE1 2.73Å; D54-W183 HydrophobicContact CB-CH2 4.03Å; D54-W183 HydrophobicContact CB-CZ2 4.09Å; D54-W183 HydrophobicContact CB-CZ3 4.34Å; D54-W183 WeakPolarHBondContact OD2-CH2 3.06Å
55	Q	95.2	Very high	97.7	Very high	144 Å²	144	54.6 Å²	54.6	67%	0.673	25%	0.251	S	S	*	.	S	Bend	trans	-71	-33.5	-176.5	-178.3	175.6	-3.8	0	0	112.7	H81	Q55-H81 PolarHBondContact O-NE2 2.57Å; Q55-H81 VanDerWaalsContact O-NE2 3.17Å
56	Y	94.6	Very high	97.6	Very high	182 Å²	182	48.3 Å²	48.3	71%	0.714	23%	0.227	S	C	*	.	S	Bend	trans	-107.6	-15.6	-163.4	-58.1	-67.5	0	0	0	114	D54	D54-Y56 PolarHBondContact OD1-N 3.17Å
57	R	94.5	Very high	97.5	Very high	60 Å²	60	49.8 Å²	49.8	23%	0.226	24%	0.236	C	C	.	.	S	Bend	trans	-156.5	160.5	-175.2	59	-168.8	172.9	166.6	15.8	111.5	D54 H81 E198 N200	D54-R57 HydrophobicContact CB-CG 4.44Å; D54-R57 WeakPolarHBondContact OD1-CG 3.5Å; D54-R57 PolarHBondContact OD1-N 3.44Å; R57-H81 PolarHBondContact N-CE1 2.6Å; R57-H81 VanDerWaalsContact N-CE1 3.31Å; R57-H81 PolarHBondContact O-CE1 2.87Å; R57-H81 VanDerWaalsContact O-CE1 3.23Å; R57-H81 PolarHBondContact O-ND1 3.02Å; R57-E198 IonicContact CZ-OE2 3.62Å; R57-E198 IonicContact NE-OE2 2.8Å; R57-E198 IonicContact NH1-OE2 3.86Å; R57-E198 PolarHBondContact NH1-OE2 3.36Å; R57-E198 IonicContact NH2-OE2 2.79Å; R57-E198 PolarHBondContact NH2-OE2 3.33Å; R57-N200 WeakPolarHBondContact CD-ND2 3.36Å; R57-N200 WeakPolarHBondContact CD-OD1 3.39Å
58	Y	97.9	Very high	97.3	Very high	11 Å²	11	52.4 Å²	52.4	4%	0.043	27%	0.265	C	S	.	.			trans	-66.5	151.8	171.7	78.5	-84.5	0	0	0	109.9	R60 L75 C76 W77 H81 N199	Y58-R60 HydrophobicContact CE2-CG 3.95Å; Y58-R60 PolarHBondContact OH-NE 2.89Å; Y58-R60 PolarHBondContact OH-NH2 3.07Å; Y58-L75 HydrophobicContact CD2-CD2 3.79Å; Y58-L75 HydrophobicContact CD2-CG 4.09Å; Y58-L75 HydrophobicContact CE2-CD2 3.6Å; Y58-L75 HydrophobicContact CE2-CG 4.22Å; Y58-C76 CarbonylContact C-O 3.59Å; Y58-C76 WeakPolarHBondContact CA-O 3.43Å; Y58-C76 VanDerWaalsContact CB-O 3.29Å; Y58-C76 WeakPolarHBondContact CB-O 3.45Å; Y58-W77 HydrophobicContact CD1-CE3 4.29Å; Y58-W77 AromaticContact CD1-CZ3 3.93Å; Y58-W77 HydrophobicContact CD1-CZ3 3.93Å; Y58-W77 HydrophobicContact CD2-CE3 4.37Å; Y58-W77 HydrophobicContact CD2-CH2 4.14Å; Y58-W77 HydrophobicContact CD2-CZ2 4.5Å; Y58-W77 HydrophobicContact CD2-CZ3 4.07Å; Y58-W77 HydrophobicContact CE1-CZ3 4.46Å; Y58-W77 HydrophobicContact CE2-CH2 4.39Å; Y58-W77 HydrophobicContact CG-CD2 4.44Å; Y58-W77 AromaticContact CG-CE3 3.84Å; Y58-W77 HydrophobicContact CG-CE3 3.84Å; Y58-W77 HydrophobicContact CG-CH2 4.28Å; Y58-W77 AromaticContact CG-CZ3 3.73Å; Y58-W77 HydrophobicContact CG-CZ3 3.73Å; Y58-H81 PolarHBondContact N-ND1 2.81Å; Y58-N199 VanDerWaalsContact CE1-O 3.24Å; Y58-N199 WeakPolarHBondContact CE1-O 3Å; Y58-N199 VanDerWaalsContact CZ-O 3.23Å; Y58-N199 PolarHBondContact OH-O 3.01Å
59	T	98.3	Very high	97.3	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.025	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151.1	-179.4	62.7	0	0	0	0	111.1	K52 D54 N61 L75 C76 W183	K52-T59 WeakPolarHBondContact O-CB 3.47Å; K52-T59 WeakPolarHBondContact O-CG2 3.47Å; K52-T59 PolarHBondContact O-OG1 2.77Å; D54-T59 HydrophobicContact CB-CG2 3.42Å; D54-T59 VanDerWaalsContact CB-CG2 3.42Å; T59-N61 PolarHBondContact OG1-ND2 3.07Å; T59-L75 WeakPolarHBondContact O-CA 3.17Å; T59-C76 PolarHBondContact N-O 3.05Å; T59-C76 PolarHBondContact O-N 3.16Å; T59-C76 VanDerWaalsContact O-N 3.07Å; T59-C76 WeakPolarHBondContact OG1-CB 3.15Å; T59-W183 HydrophobicContact CG2-CB 4.11Å; T59-W183 HydrophobicContact CG2-CD2 3.71Å; T59-W183 HydrophobicContact CG2-CE3 4.2Å; T59-W183 HydrophobicContact CG2-CG 3.64Å
60	R	98.4	Very high	97.3	Very high	19 Å²	19	46.3 Å²	46.3	7%	0.072	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.4	175.8	-61.6	175	177.4	-117.2	-1.8	109.2	Y58 L75 F182 W183	Y58-R60 HydrophobicContact CE2-CG 3.95Å; Y58-R60 PolarHBondContact OH-NE 2.89Å; Y58-R60 PolarHBondContact OH-NH2 3.07Å; R60-L75 HydrophobicContact CB-CD1 4.31Å; R60-L75 HydrophobicContact CG-CD1 4Å; R60-L75 HydrophobicContact CG-CD2 4.29Å; R60-L75 HydrophobicContact CG-CG 3.94Å; R60-F182 HydrophobicContact CB-CD1 4.29Å; R60-F182 CarbonylContact O-C 3.48Å; R60-F182 WeakPolarHBondContact O-CA 3.45Å; R60-W183 PolarHBondContact O-N 2.77Å
61	N	98.6	Very high	97.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	104.1	-172.5	-57.1	-73.7	0	0	0	109.5	Y50 T59 V63 M73 I74 S184	Y50-N61 WeakPolarHBondContact O-CB 3.44Å; Y50-N61 PolarHBondContact O-ND2 3.14Å; T59-N61 PolarHBondContact OG1-ND2 3.07Å; N61-V63 PolarHBondContact O-N 3.32Å; N61-M73 CarbonylContact O-C 3.59Å; N61-M73 VanDerWaalsContact O-CA 3.25Å; N61-M73 WeakPolarHBondContact O-CA 2.95Å; N61-M73 WeakPolarHBondContact O-CB 3.2Å; N61-I74 VanDerWaalsContact CB-O 3.31Å; N61-I74 WeakPolarHBondContact CB-O 3.24Å; N61-I74 PolarHBondContact N-O 3.47Å; N61-I74 PolarHBondContact ND2-O 3.42Å; N61-I74 VanDerWaalsContact ND2-O 3.17Å; N61-I74 PolarHBondContact O-N 3.03Å; N61-S184 CarbonylContact C-O 3.45Å; N61-S184 WeakPolarHBondContact CA-O 3.48Å; N61-S184 VanDerWaalsContact CB-OG 3.24Å; N61-S184 WeakPolarHBondContact CB-OG 3.46Å; N61-S184 VanDerWaalsContact CG-OG 3.3Å; N61-S184 PolarHBondContact OD1-OG 3.01Å
62	L	98.6	Very high	97.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	126.4	-177.1	-175.6	67.3	0	0	0	110.3	E65 N71 F182 S184 K185 Y186	L62-E65 HydrophobicContact CD1-CG 4.24Å; L62-E65 HydrophobicContact CD2-CG 3.57Å; L62-E65 WeakPolarHBondContact CD2-OE1 3.21Å; L62-E65 HydrophobicContact CG-CG 4.23Å; L62-N71 HydrophobicContact CD1-CB 4.37Å; L62-F182 HydrophobicContact CB-CD1 3.8Å; L62-F182 HydrophobicContact CB-CD2 4.44Å; L62-F182 HydrophobicContact CB-CE1 3.93Å; L62-F182 HydrophobicContact CB-CG 4.06Å; L62-F182 HydrophobicContact CB-CZ 4.3Å; L62-F182 HydrophobicContact CD1-CE1 3.98Å; L62-F182 HydrophobicContact CD1-CE2 4.36Å; L62-F182 HydrophobicContact CD1-CZ 3.79Å; L62-F182 HydrophobicContact CD2-CD2 4.24Å; L62-F182 HydrophobicContact CD2-CE2 4.04Å; L62-F182 HydrophobicContact CD2-CZ 4.29Å; L62-F182 HydrophobicContact CG-CE1 4.44Å; L62-F182 HydrophobicContact CG-CZ 4.37Å; L62-S184 PolarHBondContact N-O 3.15Å; L62-K185 HydrophobicContact CB-CB 4.38Å; L62-K185 HydrophobicContact CB-CG 4.01Å; L62-K185 HydrophobicContact CD2-CB 4.35Å; L62-K185 HydrophobicContact CD2-CD 3.69Å; L62-K185 HydrophobicContact CD2-CG 3.76Å; L62-Y186 PolarHBondContact O-N 3.05Å
63	V	98.7	Very high	97.4	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-48.7	178.7	174.8	0	0	0	0	109.7	L12 I16 Y50 N61 L72 I74 Y186	L12-V63 HydrophobicContact CD2-CG1 4.5Å; I16-V63 HydrophobicContact CD1-CG1 3.84Å; Y50-V63 HydrophobicContact CD1-CG2 4.16Å; Y50-V63 HydrophobicContact CD2-CG1 4.33Å; Y50-V63 HydrophobicContact CD2-CG2 3.83Å; Y50-V63 HydrophobicContact CE1-CG1 4.37Å; Y50-V63 HydrophobicContact CE1-CG2 4.45Å; Y50-V63 HydrophobicContact CE2-CB 4.46Å; Y50-V63 HydrophobicContact CE2-CG1 3.77Å; Y50-V63 HydrophobicContact CE2-CG2 4.11Å; Y50-V63 HydrophobicContact CG-CG2 3.83Å; N61-V63 PolarHBondContact O-N 3.32Å; V63-L72 WeakPolarHBondContact CA-O 3.24Å; V63-L72 HydrophobicContact CB-CD2 4.47Å; V63-L72 HydrophobicContact CB-CG 4.43Å; V63-L72 WeakPolarHBondContact CB-O 3.27Å; V63-L72 HydrophobicContact CG1-CD2 4.14Å; V63-L72 PolarHBondContact N-O 3.41Å; V63-I74 HydrophobicContact CG2-CB 4.33Å; V63-I74 HydrophobicContact CG2-CD1 3.89Å; V63-I74 HydrophobicContact CG2-CG1 3.86Å; V63-Y186 WeakPolarHBondContact O-CD1 3.22Å
64	D	98.6	Very high	97.4	Very high	35 Å²	35	38.4 Å²	38.4	19%	0.187	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	139.8	-175.4	-164.6	-93.5	0	0	0	110.1	I16 H20 G66 L72	I16-D64 HydrophobicContact CG2-CB 4.34Å; H20-D64 IonicContact CD2-OD1 2.72Å; H20-D64 IonicContact CE1-OD1 3.98Å; H20-D64 IonicContact NE2-OD1 3.97Å; H20-D64 PolarHBondContact NE2-OD1 2.77Å; H20-D64 IonicContact NE2-OD2 2.6Å; D64-G66 VanDerWaalsContact C-N 3.27Å; D64-G66 WeakPolarHBondContact OD1-CA 3.35Å; D64-G66 PolarHBondContact OD1-N 3.17Å; D64-L72 HydrophobicContact CB-CB 4.12Å; D64-L72 PolarHBondContact N-O 3.5Å; D64-L72 PolarHBondContact O-N 3.25Å
65	E	97.6	Very high	97.5	Very high	81 Å²	81	36.8 Å²	36.8	38%	0.379	19%	0.186	S	C	.	.			trans	-91.4	10.1	177.5	-72.6	-177.4	157.4	0	0	112.5	L62 F70 K185 Y186	L62-E65 HydrophobicContact CD1-CG 4.24Å; L62-E65 HydrophobicContact CD2-CG 3.57Å; L62-E65 WeakPolarHBondContact CD2-OE1 3.21Å; L62-E65 HydrophobicContact CG-CG 4.23Å; E65-F70 CarbonylContact C-O 3.55Å; E65-K185 IonicContact OE1-NZ 3.76Å; E65-K185 PolarHBondContact OE1-NZ 3.37Å; E65-Y186 VanDerWaalsContact CG-OH 3.27Å; E65-Y186 WeakPolarHBondContact CG-OH 3.3Å; E65-Y186 PolarHBondContact OE1-OH 2.9Å; E65-Y186 PolarHBondContact OE2-OH 3.21Å
66	G	96.7	Very high	97.7	Very high	18 Å²	18	29.9 Å²	29.9	19%	0.186	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-154.1	-177.6	0	0	0	0	0	112.4	H20 D64 G68 F70	H20-G66 PolarHBondContact CE1-O 2.92Å; D64-G66 VanDerWaalsContact C-N 3.27Å; D64-G66 WeakPolarHBondContact OD1-CA 3.35Å; D64-G66 PolarHBondContact OD1-N 3.17Å; G66-G68 VanDerWaalsContact C-N 3.29Å; G66-F70 VanDerWaalsContact CA-CZ 3.43Å; G66-F70 WeakPolarHBondContact CA-O 3.34Å; G66-F70 PolarHBondContact N-O 2.68Å
67	N	95.4	Very high	97.9	Very high	65 Å²	65	21.4 Å²	21.4	35%	0.348	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	29.7	172.1	58.2	5.1	0	0	0	111.1	H20 F23 K69	H20-N67 PolarHBondContact O-ND2 2.91Å; F23-N67 PolarHBondContact O-ND2 2.92Å; N67-K69 VanDerWaalsContact C-N 3.27Å; N67-K69 PolarHBondContact O-N 2.82Å; N67-K69 VanDerWaalsContact OD1-CB 3.28Å; N67-K69 WeakPolarHBondContact OD1-CB 3.25Å; N67-K69 PolarHBondContact OD1-N 2.9Å
68	G	95.8	Very high	98.1	Very high	60 Å²	60	18.9 Å²	18.9	62%	0.619	11%	0.113	S	C	*	.	S	Bend	trans	82.3	-4.9	-171.7	0	0	0	0	0	114.6	G66	G66-G68 VanDerWaalsContact C-N 3.29Å
69	K	97.2	Very high	98.1	Very high	61 Å²	61	23.2 Å²	23.2	27%	0.265	13%	0.134	S	C	.	.	S	Bend	trans	-102.8	-12.7	-179.8	-63.4	173.1	160.3	-165.5	0	114.4	F23 E24 S25 D26 N67 S159	F23-K69 WeakPolarHBondContact O-CD 3.47Å; F23-K69 PolarHBondContact O-NZ 2.97Å; E24-K69 PolarHBondContact O-NZ 2.8Å; S25-K69 VanDerWaalsContact C-NZ 3.33Å; S25-K69 PolarHBondContact O-NZ 2.75Å; D26-K69 WeakPolarHBondContact OD1-CE 3.16Å; D26-K69 IonicContact OD1-NZ 2.69Å; D26-K69 PolarHBondContact OD1-NZ 3.31Å; N67-K69 VanDerWaalsContact C-N 3.27Å; N67-K69 PolarHBondContact O-N 2.82Å; N67-K69 VanDerWaalsContact OD1-CB 3.28Å; N67-K69 WeakPolarHBondContact OD1-CB 3.25Å; N67-K69 PolarHBondContact OD1-N 2.9Å; K69-S159 WeakPolarHBondContact O-CA 3.31Å; K69-S159 VanDerWaalsContact O-CB 3.31Å; K69-S159 WeakPolarHBondContact O-CB 3.14Å; K69-S159 PolarHBondContact O-OG 2.63Å
70	F	98.3	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.155	C	C	.	.			trans	-149.8	156.4	174.1	70.7	-87.2	0	0	0	111.9	L19 H20 F23 E65 G66 L72 L157 Y158	L19-F70 HydrophobicContact CB-CZ 4.15Å; H20-F70 AromaticContact CD2-CZ 3.74Å; H20-F70 AromaticContact NE2-CZ 3.9Å; F23-F70 HydrophobicContact CB-CD1 3.66Å; F23-F70 HydrophobicContact CB-CE1 3.98Å; F23-F70 HydrophobicContact CD1-CB 4.41Å; F23-F70 HydrophobicContact CD1-CD1 4.29Å; F23-F70 AromaticContact CD2-CD1 3.72Å; F23-F70 HydrophobicContact CD2-CD1 3.72Å; F23-F70 HydrophobicContact CD2-CE1 4.1Å; F23-F70 HydrophobicContact CD2-CG 4.23Å; F23-F70 HydrophobicContact CE1-CB 4.48Å; F23-F70 HydrophobicContact CE2-CD1 4.5Å; F23-F70 HydrophobicContact CG-CB 4.5Å; F23-F70 AromaticContact CG-CD1 3.62Å; F23-F70 HydrophobicContact CG-CD1 3.62Å; F23-F70 HydrophobicContact CG-CE1 4.22Å; F23-F70 HydrophobicContact CG-CG 4.32Å; E65-F70 CarbonylContact C-O 3.55Å; G66-F70 VanDerWaalsContact CA-CZ 3.43Å; G66-F70 WeakPolarHBondContact CA-O 3.34Å; G66-F70 PolarHBondContact N-O 2.68Å; F70-L72 HydrophobicContact CD2-CB 4.31Å; F70-L72 HydrophobicContact CE2-CB 4.09Å; F70-L157 HydrophobicContact CB-CD2 4.02Å; F70-L157 HydrophobicContact CB-CG 4.21Å; F70-L157 HydrophobicContact CD2-CD1 3.89Å; F70-L157 HydrophobicContact CD2-CG 4Å; F70-L157 HydrophobicContact CE2-CD1 4.35Å; F70-L157 HydrophobicContact CG-CD1 4.32Å; F70-L157 HydrophobicContact CG-CG 4.37Å; F70-Y158 CarbonylContact C-O 3.5Å; F70-Y158 WeakPolarHBondContact CA-O 3.49Å; F70-Y158 WeakPolarHBondContact CB-O 3.5Å
71	N	98.3	Very high	98	Very high	20 Å²	20	25.3 Å²	25.3	11%	0.107	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.7	164.6	-89.6	-16.5	0	0	0	109	L62 M73 L157 Y158 P161	L62-N71 HydrophobicContact CD1-CB 4.37Å; N71-M73 HydrophobicContact CB-CE 3.74Å; N71-L157 WeakPolarHBondContact O-CA 3.26Å; N71-Y158 PolarHBondContact N-O 2.92Å; N71-Y158 PolarHBondContact O-N 3.41Å; N71-P161 HydrophobicContact CB-CB 4.44Å
72	L	98.8	Very high	98	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.7	170.8	-169.9	72.4	0	0	0	109.4	I16 L19 V63 D64 F70 L155 H156 L157	I16-L72 HydrophobicContact CD1-CD2 4.2Å; I16-L72 HydrophobicContact CG1-CD2 3.57Å; L19-L72 HydrophobicContact CD1-CD1 4.3Å; L19-L72 HydrophobicContact CD1-CD2 4.4Å; V63-L72 WeakPolarHBondContact CA-O 3.24Å; V63-L72 HydrophobicContact CB-CD2 4.47Å; V63-L72 HydrophobicContact CB-CG 4.43Å; V63-L72 WeakPolarHBondContact CB-O 3.27Å; V63-L72 HydrophobicContact CG1-CD2 4.14Å; V63-L72 PolarHBondContact N-O 3.41Å; D64-L72 HydrophobicContact CB-CB 4.12Å; D64-L72 PolarHBondContact N-O 3.5Å; D64-L72 PolarHBondContact O-N 3.25Å; F70-L72 HydrophobicContact CD2-CB 4.31Å; F70-L72 HydrophobicContact CE2-CB 4.09Å; L72-L155 HydrophobicContact CD1-CD1 3.73Å; L72-L155 HydrophobicContact CD1-CD2 4.12Å; L72-L155 HydrophobicContact CD1-CG 3.78Å; L72-L155 HydrophobicContact CD2-CD1 4.14Å; L72-L155 HydrophobicContact CG-CD1 3.76Å; L72-L155 HydrophobicContact CG-CG 4.37Å; L72-H156 WeakPolarHBondContact CA-O 3.48Å; L72-L157 HydrophobicContact CD1-CB 3.96Å; L72-L157 HydrophobicContact CD1-CD1 4.27Å; L72-L157 HydrophobicContact CD1-CG 4.44Å
73	M	98.6	Very high	98	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.034	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.7	-177.2	64.3	-169.2	73.1	0	0	112.1	N61 N71 L75 H156 Y158 F182	N61-M73 CarbonylContact O-C 3.59Å; N61-M73 VanDerWaalsContact O-CA 3.25Å; N61-M73 WeakPolarHBondContact O-CA 2.95Å; N61-M73 WeakPolarHBondContact O-CB 3.2Å; N71-M73 HydrophobicContact CB-CE 3.74Å; M73-L75 HydrophobicContact CG-CD1 3.69Å; M73-L75 HydrophobicContact SD-CD1 3.99Å; M73-H156 HydrophobicContact CG-CB 3.93Å; M73-H156 PolarHBondContact N-O 3.36Å; M73-H156 PolarHBondContact O-N 2.83Å; M73-Y158 HydrophobicContact CE-CD2 3.67Å; M73-Y158 HydrophobicContact CE-CE2 4.01Å; M73-Y158 HydrophobicContact CG-CE2 4.38Å; M73-Y158 HydrophobicContact SD-CD2 4.08Å; M73-Y158 HydrophobicContact SD-CE2 3.78Å; M73-F182 HydrophobicContact CE-CE1 3.57Å; M73-F182 HydrophobicContact CE-CZ 3.89Å; M73-F182 HydrophobicContact SD-CE1 3.83Å
74	I	98.9	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.5	171.7	-74.2	167.4	0	0	0	109.3	W47 Y50 N61 V63 L98 S154 L155	W47-I74 HydrophobicContact CB-CD1 3.58Å; W47-I74 HydrophobicContact CG-CD1 4.35Å; Y50-I74 HydrophobicContact CD2-CD1 3.97Å; Y50-I74 HydrophobicContact CG-CD1 4.38Å; N61-I74 VanDerWaalsContact CB-O 3.31Å; N61-I74 WeakPolarHBondContact CB-O 3.24Å; N61-I74 PolarHBondContact N-O 3.47Å; N61-I74 PolarHBondContact ND2-O 3.42Å; N61-I74 VanDerWaalsContact ND2-O 3.17Å; N61-I74 PolarHBondContact O-N 3.03Å; V63-I74 HydrophobicContact CG2-CB 4.33Å; V63-I74 HydrophobicContact CG2-CD1 3.89Å; V63-I74 HydrophobicContact CG2-CG1 3.86Å; I74-L98 HydrophobicContact CD1-CD1 3.83Å; I74-L98 HydrophobicContact CG1-CD1 3.88Å; I74-S154 CarbonylContact C-O 3.59Å; I74-S154 VanDerWaalsContact CA-O 3.27Å; I74-S154 WeakPolarHBondContact CA-O 3.2Å; I74-L155 HydrophobicContact CD1-CD1 4.41Å; I74-L155 HydrophobicContact CG1-CD1 3.74Å
75	L	98.8	Very high	97.9	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.9	168.4	-83.9	63.4	0	0	0	109.5	Y58 T59 R60 M73 W77 A153 S154 H156	Y58-L75 HydrophobicContact CD2-CD2 3.79Å; Y58-L75 HydrophobicContact CD2-CG 4.09Å; Y58-L75 HydrophobicContact CE2-CD2 3.6Å; Y58-L75 HydrophobicContact CE2-CG 4.22Å; T59-L75 WeakPolarHBondContact O-CA 3.17Å; R60-L75 HydrophobicContact CB-CD1 4.31Å; R60-L75 HydrophobicContact CG-CD1 4Å; R60-L75 HydrophobicContact CG-CD2 4.29Å; R60-L75 HydrophobicContact CG-CG 3.94Å; M73-L75 HydrophobicContact CG-CD1 3.69Å; M73-L75 HydrophobicContact SD-CD1 3.99Å; L75-W77 HydrophobicContact CB-CZ2 3.87Å; L75-W77 HydrophobicContact CD2-CH2 3.99Å; L75-W77 HydrophobicContact CD2-CZ2 3.54Å; L75-W77 HydrophobicContact CG-CZ2 4.34Å; L75-W77 PolarHBondContact O-NE1 2.91Å; L75-A153 WeakPolarHBondContact O-CA 3.47Å; L75-S154 PolarHBondContact N-O 2.7Å; L75-S154 PolarHBondContact O-N 2.68Å; L75-H156 HydrophobicContact CD1-CB 4.28Å
76	C	98.8	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.5	178	-62.4	0	0	0	0	109.1	A51 F53 Y58 T59	A51-C76 WeakPolarHBondContact CA-SG 3.45Å; F53-C76 HydrophobicContact CD1-CB 3.62Å; F53-C76 HydrophobicContact CD2-CB 4.08Å; F53-C76 HydrophobicContact CE1-CB 3.55Å; F53-C76 HydrophobicContact CE2-CB 4.02Å; F53-C76 HydrophobicContact CG-CB 3.88Å; F53-C76 HydrophobicContact CZ-CB 3.76Å; Y58-C76 CarbonylContact C-O 3.59Å; Y58-C76 WeakPolarHBondContact CA-O 3.43Å; Y58-C76 VanDerWaalsContact CB-O 3.29Å; Y58-C76 WeakPolarHBondContact CB-O 3.45Å; T59-C76 PolarHBondContact N-O 3.05Å; T59-C76 PolarHBondContact O-N 3.16Å; T59-C76 VanDerWaalsContact O-N 3.07Å; T59-C76 WeakPolarHBondContact OG1-CB 3.15Å
77	W	98.8	Very high	97.9	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.011	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	109.5	-173.9	-46.1	80.7	0	0	0	108.4	Y58 L75 H81 L102 V143 N145 C151 A152 S154	Y58-W77 HydrophobicContact CD1-CE3 4.29Å; Y58-W77 AromaticContact CD1-CZ3 3.93Å; Y58-W77 HydrophobicContact CD1-CZ3 3.93Å; Y58-W77 HydrophobicContact CD2-CE3 4.37Å; Y58-W77 HydrophobicContact CD2-CH2 4.14Å; Y58-W77 HydrophobicContact CD2-CZ2 4.5Å; Y58-W77 HydrophobicContact CD2-CZ3 4.07Å; Y58-W77 HydrophobicContact CE1-CZ3 4.46Å; Y58-W77 HydrophobicContact CE2-CH2 4.39Å; Y58-W77 HydrophobicContact CG-CD2 4.44Å; Y58-W77 AromaticContact CG-CE3 3.84Å; Y58-W77 HydrophobicContact CG-CE3 3.84Å; Y58-W77 HydrophobicContact CG-CH2 4.28Å; Y58-W77 AromaticContact CG-CZ3 3.73Å; Y58-W77 HydrophobicContact CG-CZ3 3.73Å; L75-W77 HydrophobicContact CB-CZ2 3.87Å; L75-W77 HydrophobicContact CD2-CH2 3.99Å; L75-W77 HydrophobicContact CD2-CZ2 3.54Å; L75-W77 HydrophobicContact CG-CZ2 4.34Å; L75-W77 PolarHBondContact O-NE1 2.91Å; W77-H81 HydrophobicContact CB-CB 4.45Å; W77-L102 HydrophobicContact CB-CD2 4.3Å; W77-L102 HydrophobicContact CD2-CD2 3.98Å; W77-L102 HydrophobicContact CG-CD2 3.85Å; W77-L102 HydrophobicContact CZ2-CD1 4.37Å; W77-V143 HydrophobicContact CH2-CB 3.87Å; W77-V143 HydrophobicContact CH2-CG1 3.87Å; W77-V143 HydrophobicContact CZ2-CB 4.4Å; W77-V143 HydrophobicContact CZ2-CG1 3.96Å; W77-V143 HydrophobicContact CZ3-CB 4.4Å; W77-V143 HydrophobicContact CZ3-CG1 4.4Å; W77-V143 WeakPolarHBondContact CZ3-O 3.36Å; W77-N145 HydrophobicContact CB-CB 3.77Å; W77-N145 PolarHBondContact O-ND2 2.86Å; W77-C151 WeakPolarHBondContact O-CA 3.24Å; W77-A152 HydrophobicContact CB-CB 4.21Å; W77-A152 PolarHBondContact N-O 3.43Å; W77-A152 PolarHBondContact O-N 3.1Å; W77-S154 PolarHBondContact NE1-OG 3.03Å
78	G	98.4	Very high	97.9	Very high	7 Å²	7	19.8 Å²	19.8	7%	0.072	13%	0.134	C	C	.	.			trans	-65.6	177.8	168.6	0	0	0	0	0	111.8	G80 H81 N145	G78-G80 PolarHBondContact O-N 2.89Å; G78-H81 WeakPolarHBondContact CA-ND1 3.29Å; G78-H81 PolarHBondContact N-ND1 3.24Å; G78-H81 WeakPolarHBondContact O-CB 3.5Å; G78-H81 PolarHBondContact O-N 3.31Å; G78-N145 PolarHBondContact O-ND2 3.39Å
79	E	98.3	Very high	97.9	Very high	103 Å²	103	19.3 Å²	19.3	48%	0.481	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	127.8	177.4	-66	162.4	-167.2	0	0	111	H81 S147	E79-H81 PolarHBondContact O-CD2 2.84Å; E79-H81 PolarHBondContact O-N 2.69Å; E79-H81 VanDerWaalsContact O-N 3.13Å; E79-S147 CarbonylContact C-O 3.56Å; E79-S147 WeakPolarHBondContact CA-O 3.3Å
80	G	97.3	Very high	97.7	Very high	45 Å²	45	23.3 Å²	23.3	46%	0.464	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	4.2	-179.1	0	0	0	0	0	115.3	G78 N145 S147	G78-G80 PolarHBondContact O-N 2.89Å; G80-N145 CarbonylContact C-O 3.1Å; G80-N145 WeakPolarHBondContact CA-O 3.36Å; G80-N145 PolarHBondContact N-O 2.75Å; G80-S147 PolarHBondContact N-O 3.29Å
81	H	98.4	Very high	97.6	Very high	21 Å²	21	23.5 Å²	23.5	10%	0.097	14%	0.144	C	C	.	.			trans	-69.9	144	178.8	-70.8	-170.1	0	0	0	110.8	D54 Q55 R57 Y58 W77 G78 E79 N145	D54-H81 PolarHBondContact O-CE1 2.73Å; Q55-H81 PolarHBondContact O-NE2 2.57Å; Q55-H81 VanDerWaalsContact O-NE2 3.17Å; R57-H81 PolarHBondContact N-CE1 2.6Å; R57-H81 VanDerWaalsContact N-CE1 3.31Å; R57-H81 PolarHBondContact O-CE1 2.87Å; R57-H81 VanDerWaalsContact O-CE1 3.23Å; R57-H81 PolarHBondContact O-ND1 3.02Å; Y58-H81 PolarHBondContact N-ND1 2.81Å; W77-H81 HydrophobicContact CB-CB 4.45Å; G78-H81 WeakPolarHBondContact CA-ND1 3.29Å; G78-H81 PolarHBondContact N-ND1 3.24Å; G78-H81 WeakPolarHBondContact O-CB 3.5Å; G78-H81 PolarHBondContact O-N 3.31Å; E79-H81 PolarHBondContact O-CD2 2.84Å; E79-H81 PolarHBondContact O-N 2.69Å; E79-H81 VanDerWaalsContact O-N 3.13Å; H81-N145 PolarHBondContact O-N 3.22Å
82	G	97.6	Very high	97.6	Very high	24 Å²	24	24.7 Å²	24.7	25%	0.247	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-152	166.4	174.3	0	0	0	0	0	111.4	V143	G82-V143 CarbonylContact C-O 3.52Å; G82-V143 VanDerWaalsContact CA-O 3.32Å; G82-V143 WeakPolarHBondContact CA-O 3.42Å
83	S	97.8	Very high	97.6	Very high	6 Å²	6	24.8 Å²	24.8	4%	0.042	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-89.7	163.6	172.5	75.5	0	0	0	0	111.5	H86 R142 V143 N200	S83-H86 PolarHBondContact OG-CE1 2.76Å; S83-R142 WeakPolarHBondContact O-CD 3.21Å; S83-R142 WeakPolarHBondContact O-CG 3.1Å; S83-V143 PolarHBondContact N-O 3.24Å; S83-V143 PolarHBondContact OG-N 2.65Å; S83-V143 VanDerWaalsContact OG-N 3.07Å; S83-N200 WeakPolarHBondContact CA-OXT 3.43Å
84	S	97.2	Very high	97.6	Very high	36 Å²	36	24.4 Å²	24.4	25%	0.252	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-62.1	165.9	156.6	-83	0	0	0	0	110.7	H86 N199 N200	S84-H86 PolarHBondContact O-N 2.58Å; S84-H86 PolarHBondContact O-ND1 2.86Å; S84-N199 WeakPolarHBondContact CB-OD1 3.21Å; S84-N200 WeakPolarHBondContact CB-O 3.37Å; S84-N200 PolarHBondContact N-OXT 3.44Å; S84-N200 PolarHBondContact OG-O 2.86Å
85	I	98.1	Very high	97.6	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.9	162.9	-57.2	171.6	0	0	0	106.9	F107 M118 L140 H141 R142 T167 F168 Q170	I85-F107 HydrophobicContact CD1-CD1 4.04Å; I85-F107 HydrophobicContact CD1-CD2 3.95Å; I85-F107 HydrophobicContact CD1-CE1 3.86Å; I85-F107 HydrophobicContact CD1-CE2 3.77Å; I85-F107 HydrophobicContact CD1-CG 4.09Å; I85-F107 HydrophobicContact CD1-CZ 3.73Å; I85-F107 HydrophobicContact CG1-CD2 3.97Å; I85-F107 HydrophobicContact CG1-CE2 3.77Å; I85-F107 HydrophobicContact CG1-CZ 4.19Å; I85-F107 HydrophobicContact CG2-CB 4.34Å; I85-F107 HydrophobicContact CG2-CD2 3.92Å; I85-F107 HydrophobicContact CG2-CG 4.23Å; I85-M118 HydrophobicContact CB-SD 4.35Å; I85-M118 HydrophobicContact CD1-SD 3.59Å; I85-M118 VanDerWaalsContact CD1-SD 3.59Å; I85-M118 HydrophobicContact CG2-CE 3.92Å; I85-M118 HydrophobicContact CG2-SD 3.99Å; I85-L140 HydrophobicContact CG2-CB 3.83Å; I85-L140 HydrophobicContact CG2-CD1 4.37Å; I85-H141 WeakPolarHBondContact CA-O 3.29Å; I85-R142 HydrophobicContact CG1-CB 4.1Å; I85-T167 CarbonylContact O-C 3.54Å; I85-T167 VanDerWaalsContact O-CA 3.26Å; I85-T167 WeakPolarHBondContact O-CA 3.12Å; I85-F168 HydrophobicContact CB-CB 4.21Å; I85-F168 HydrophobicContact CG2-CB 4.21Å; I85-F168 PolarHBondContact O-N 3.37Å; I85-Q170 HydrophobicContact CD1-CB 3.66Å; I85-Q170 HydrophobicContact CD1-CG 3.79Å
86	H	98.1	Very high	97.6	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.037	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	161.3	-175.1	60.9	-77.4	0	0	0	113.9	S83 S84 H141 Q166 T167	S83-H86 PolarHBondContact OG-CE1 2.76Å; S84-H86 PolarHBondContact O-N 2.58Å; S84-H86 PolarHBondContact O-ND1 2.86Å; H86-H141 AromaticContact CE1-CD2 3.6Å; H86-H141 AromaticContact CE1-NE2 3.6Å; H86-H141 PolarHBondContact N-O 3.21Å; H86-H141 PolarHBondContact ND1-O 2.86Å; H86-H141 AromaticContact NE2-CD2 3.76Å; H86-H141 AromaticContact NE2-NE2 3.45Å; H86-H141 PolarHBondContact NE2-NE2 3.35Å; H86-H141 PolarHBondContact O-N 2.83Å; H86-Q166 WeakPolarHBondContact CA-O 3.41Å; H86-Q166 VanDerWaalsContact CB-O 3.25Å; H86-Q166 WeakPolarHBondContact CB-O 3.38Å; H86-T167 HydrophobicContact CB-CG2 4.35Å
87	D	97.4	Very high	97.6	Very high	11 Å²	11	24.5 Å²	24.5	6%	0.059	15%	0.148	C	C	.	.			trans	-95.7	-178.5	170.6	73.8	5.6	0	0	0	111.9	W109 L140 C165 Q166 F168	D87-W109 HydrophobicContact CB-CH2 3.62Å; D87-W109 HydrophobicContact CB-CZ2 4.06Å; D87-L140 HydrophobicContact CB-CD2 3.55Å; D87-C165 WeakPolarHBondContact OD1-CB 3.47Å; D87-Q166 PolarHBondContact N-O 2.86Å; D87-Q166 VanDerWaalsContact N-O 3.15Å; D87-Q166 PolarHBondContact OD1-N 3.18Å; D87-Q166 VanDerWaalsContact OD2-CB 3.28Å; D87-Q166 WeakPolarHBondContact OD2-CB 3.12Å; D87-Q166 WeakPolarHBondContact OD2-CG 3.35Å; D87-F168 HydrophobicContact CB-CE2 4.21Å
88	H	95.6	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.149	C	C	.	.			trans	-123.4	10.8	-177.4	-62.1	90.1	0	0	0	113.5	D90 S91 C93 I134 D136 H141 Y158	H88-D90 PolarHBondContact O-N 3.17Å; H88-S91 WeakPolarHBondContact O-CB 3.3Å; H88-S91 PolarHBondContact O-N 2.83Å; H88-S91 PolarHBondContact O-OG 3.01Å; H88-C93 WeakPolarHBondContact CD2-CB 3.48Å; H88-C93 PolarHBondContact NE2-SG 3.1Å; H88-I134 WeakPolarHBondContact CE1-CG2 3.49Å; H88-D136 PolarHBondContact N-OD1 3.36Å; H88-D136 IonicContact ND1-OD1 2.68Å; H88-H141 AromaticContact CE1-CD2 3.51Å; H88-H141 AromaticContact CE1-CE1 3.78Å; H88-H141 AromaticContact CE1-NE2 3.27Å; H88-H141 PolarHBondContact CE1-NE2 3.49Å; H88-H141 VanDerWaalsContact CE1-NE2 3.27Å; H88-H141 AromaticContact NE2-CD2 3.9Å; H88-H141 AromaticContact NE2-CE1 3.76Å; H88-H141 AromaticContact NE2-NE2 3.21Å; H88-H141 PolarHBondContact NE2-NE2 3.07Å; H88-Y158 AromaticContact CD2-CE1 3.73Å
89	T	94.3	Very high	97.6	Very high	50 Å²	50	27.5 Å²	27.5	31%	0.307	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	55.3	172.5	-50.9	0	0	0	0	111.8	S91 D136 F162 T164 C165	T89-S91 PolarHBondContact O-N 3.42Å; T89-S91 PolarHBondContact O-OG 3.02Å; T89-D136 PolarHBondContact N-OD2 2.87Å; T89-D136 VanDerWaalsContact N-OD2 3.07Å; T89-F162 HydrophobicContact CG2-CB 4.42Å; T89-T164 PolarHBondContact OG1-O 2.71Å; T89-C165 WeakPolarHBondContact OG1-CA 3.41Å
90	D	94.3	Very high	97.6	Very high	145 Å²	145	24 Å²	24	78%	0.775	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	21.7	-179	-62.4	-50	0	0	0	114.4	H88 D136	H88-D90 PolarHBondContact O-N 3.17Å; D90-D136 PolarHBondContact N-OD2 2.72Å
91	S	96	Very high	97.6	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.021	15%	0.146	C	C	.	.			trans	-105.6	151	179.7	-52.7	0	0	0	0	112.4	H88 T89 S159 P160	H88-S91 WeakPolarHBondContact O-CB 3.3Å; H88-S91 PolarHBondContact O-N 2.83Å; H88-S91 PolarHBondContact O-OG 3.01Å; T89-S91 PolarHBondContact O-N 3.42Å; T89-S91 PolarHBondContact O-OG 3.02Å; S91-S159 CarbonylContact C-O 3.11Å; S91-S159 WeakPolarHBondContact CA-O 3.32Å; S91-P160 WeakPolarHBondContact CB-O 3.27Å; S91-P160 PolarHBondContact OG-O 2.58Å; S91-P160 VanDerWaalsContact OG-O 3.05Å
92	H	97.9	Very high	97.6	Very high	46 Å²	46	24.4 Å²	24.4	21%	0.213	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.9	166	-64.1	-82	0	0	0	109.7	I28 F94 Y133 Y158 S159	I28-H92 WeakPolarHBondContact CD1-CD2 3.21Å; H92-F94 HydrophobicContact CB-CD2 4.47Å; H92-F94 HydrophobicContact CB-CE2 3.73Å; H92-F94 HydrophobicContact CB-CZ 4.37Å; H92-Y133 HydrophobicContact CB-CE2 4.06Å; H92-Y133 PolarHBondContact CE1-OH 2.79Å; H92-Y133 AromaticContact ND1-CE2 3.63Å; H92-Y133 AromaticContact ND1-CZ 3.64Å; H92-Y133 PolarHBondContact ND1-OH 2.81Å; H92-Y158 VanDerWaalsContact O-CA 3.26Å; H92-Y158 WeakPolarHBondContact O-CA 3.41Å; H92-S159 WeakPolarHBondContact CB-O 3.29Å; H92-S159 PolarHBondContact CD2-O 3.39Å; H92-S159 PolarHBondContact N-O 2.88Å; H92-S159 PolarHBondContact O-N 2.71Å
93	C	98.4	Very high	97.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.6	174.4	171.4	0	0	0	0	109.4	H88 Y133 I134 L157 Y158	H88-C93 WeakPolarHBondContact CD2-CB 3.48Å; H88-C93 PolarHBondContact NE2-SG 3.1Å; C93-Y133 WeakPolarHBondContact O-CA 3.45Å; C93-Y133 WeakPolarHBondContact O-CD2 3.47Å; C93-I134 HydrophobicContact CB-CG2 3.65Å; C93-I134 WeakPolarHBondContact CB-O 3.31Å; C93-I134 PolarHBondContact N-O 3.15Å; C93-I134 PolarHBondContact O-N 2.67Å; C93-L157 WeakPolarHBondContact CA-O 3.36Å; C93-Y158 HydrophobicContact CB-CD1 3.81Å; C93-Y158 HydrophobicContact CB-CE1 3.63Å; C93-Y158 WeakPolarHBondContact SG-CE1 3.09Å
94	F	98.8	Very high	97.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.5	170.3	-53.7	-99.5	0	0	0	108.2	I28 V30 V33 Q34 M37 H92 A132 Y133 H156 L157	I28-F94 HydrophobicContact CG2-CZ 4.36Å; V30-F94 HydrophobicContact CG1-CE1 3.92Å; V30-F94 HydrophobicContact CG1-CZ 4.3Å; V33-F94 HydrophobicContact CB-CD1 4.2Å; V33-F94 HydrophobicContact CB-CE1 3.58Å; V33-F94 HydrophobicContact CB-CE2 4.35Å; V33-F94 HydrophobicContact CB-CZ 3.67Å; V33-F94 HydrophobicContact CG1-CD1 3.71Å; V33-F94 HydrophobicContact CG1-CD2 3.97Å; V33-F94 HydrophobicContact CG1-CE1 3.54Å; V33-F94 HydrophobicContact CG1-CE2 3.81Å; V33-F94 HydrophobicContact CG1-CG 3.93Å; V33-F94 HydrophobicContact CG1-CZ 3.6Å; V33-F94 HydrophobicContact CG2-CZ 4.25Å; Q34-F94 HydrophobicContact CG-CD1 3.7Å; Q34-F94 HydrophobicContact CG-CE1 3.8Å; M37-F94 HydrophobicContact CE-CB 4.05Å; M37-F94 HydrophobicContact SD-CB 3.52Å; M37-F94 VanDerWaalsContact SD-CB 3.52Å; M37-F94 HydrophobicContact SD-CD1 4.49Å; M37-F94 HydrophobicContact SD-CG 4.07Å; H92-F94 HydrophobicContact CB-CD2 4.47Å; H92-F94 HydrophobicContact CB-CE2 3.73Å; H92-F94 HydrophobicContact CB-CZ 4.37Å; F94-A132 WeakPolarHBondContact CA-O 3.32Å; F94-Y133 AromaticContact CD1-CD2 3.8Å; F94-Y133 HydrophobicContact CD1-CD2 3.8Å; F94-Y133 AromaticContact CE1-CD2 3.6Å; F94-Y133 HydrophobicContact CE1-CD2 3.6Å; F94-Y133 HydrophobicContact CE1-CE2 4.08Å; F94-Y133 HydrophobicContact CE1-CG 4.5Å; F94-Y133 HydrophobicContact CE2-CD2 4.37Å; F94-Y133 HydrophobicContact CE2-CE2 4.32Å; F94-Y133 HydrophobicContact CG-CD2 4.26Å; F94-Y133 AromaticContact CZ-CD2 3.91Å; F94-Y133 HydrophobicContact CZ-CD2 3.91Å; F94-Y133 AromaticContact CZ-CE2 3.92Å; F94-Y133 HydrophobicContact CZ-CE2 3.92Å; F94-H156 CarbonylContact O-C 3.57Å; F94-H156 VanDerWaalsContact O-CA 3.24Å; F94-H156 WeakPolarHBondContact O-CA 3.35Å; F94-L157 HydrophobicContact CB-CB 4.22Å; F94-L157 HydrophobicContact CD2-CB 4.25Å; F94-L157 HydrophobicContact CD2-CD2 3.64Å; F94-L157 HydrophobicContact CE2-CD2 3.97Å; F94-L157 PolarHBondContact N-O 3.19Å; F94-L157 PolarHBondContact O-N 3.33Å
95	L	98.6	Very high	97.8	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	108	179.2	-173.5	174.7	0	0	0	108.1	L102 L126 V131 A132 V143 L155 H156	L95-L102 HydrophobicContact CD2-CD1 4.47Å; L95-L126 HydrophobicContact CD2-CD2 3.34Å; L95-V131 CarbonylContact O-C 3.59Å; L95-V131 VanDerWaalsContact O-CA 3.32Å; L95-V131 WeakPolarHBondContact O-CA 3.47Å; L95-A132 HydrophobicContact CB-CB 4.33Å; L95-A132 PolarHBondContact N-O 2.95Å; L95-A132 PolarHBondContact O-N 2.79Å; L95-V143 HydrophobicContact CD1-CG1 4.12Å; L95-V143 HydrophobicContact CD1-CG2 4.05Å; L95-L155 CarbonylContact C-O 3.51Å; L95-L155 WeakPolarHBondContact CA-O 3.1Å; L95-H156 WeakPolarHBondContact CD1-CE1 3.36Å; L95-H156 VanDerWaalsContact CG-CE1 3.46Å; L95-H156 WeakPolarHBondContact CG-CE1 3.41Å; L95-H156 WeakPolarHBondContact CG-NE2 3.25Å
96	K	98.8	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.4	169.4	-175.9	-165.5	179.3	67.9	0	109.8	M37 E38 Y40 L98 N129 K130 V131 S154 L155	M37-K96 HydrophobicContact CE-CB 4.15Å; M37-K96 WeakPolarHBondContact O-CD 3.39Å; M37-K96 VanDerWaalsContact O-CE 3.3Å; M37-K96 WeakPolarHBondContact O-CE 3.35Å; M37-K96 PolarHBondContact O-NZ 3.3Å; E38-K96 PolarHBondContact O-NZ 2.78Å; E38-K96 VanDerWaalsContact O-NZ 3.09Å; Y40-K96 HydrophobicContact CD1-CD 4.11Å; Y40-K96 WeakPolarHBondContact O-CE 3.35Å; Y40-K96 PolarHBondContact O-NZ 3.24Å; K96-L98 HydrophobicContact CD-CD2 4.06Å; K96-N129 PolarHBondContact NZ-O 2.82Å; K96-K130 WeakPolarHBondContact CA-O 3.41Å; K96-V131 HydrophobicContact CB-CG2 3.85Å; K96-V131 HydrophobicContact CG-CG2 3.87Å; K96-S154 CarbonylContact O-C 3.57Å; K96-S154 VanDerWaalsContact O-CA 3.25Å; K96-S154 WeakPolarHBondContact O-CA 3.25Å; K96-S154 WeakPolarHBondContact O-CB 3.28Å; K96-L155 HydrophobicContact CB-CB 4.24Å; K96-L155 PolarHBondContact N-O 2.83Å; K96-L155 PolarHBondContact O-N 3.1Å
97	L	98.8	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.5	170.8	-161.5	71.4	0	0	0	111.8	G100 L102 L126 Q127 N129 K130 A153	L97-G100 WeakPolarHBondContact CD2-O 3.21Å; L97-L102 HydrophobicContact CD1-CB 4.17Å; L97-L102 HydrophobicContact CD1-CD1 3.49Å; L97-L102 VanDerWaalsContact CD1-CD1 3.49Å; L97-L102 HydrophobicContact CD1-CG 3.57Å; L97-L126 HydrophobicContact CB-CD2 4.03Å; L97-L126 HydrophobicContact CB-CG 4.2Å; L97-L126 VanDerWaalsContact CD2-O 3.32Å; L97-L126 WeakPolarHBondContact CD2-O 3.39Å; L97-Q127 WeakPolarHBondContact CB-O 3.37Å; L97-Q127 VanDerWaalsContact CD2-C 3.42Å; L97-N129 WeakPolarHBondContact O-CA 3.46Å; L97-N129 PolarHBondContact O-N 3.11Å; L97-K130 PolarHBondContact N-O 2.86Å; L97-A153 WeakPolarHBondContact CD1-O 3.25Å
98	L	98.8	Very high	97.8	Very high	3 Å²	3	27 Å²	27	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-33.6	178.7	-62.5	-179.5	0	0	0	113	Y40 S42 W47 I74 K96 A153 L155	Y40-L98 HydrophobicContact CE1-CD2 4.05Å; S42-L98 VanDerWaalsContact CB-O 3.29Å; S42-L98 WeakPolarHBondContact CB-O 3.28Å; S42-L98 WeakPolarHBondContact OG-CA 3.48Å; S42-L98 PolarHBondContact OG-O 3.17Å; W47-L98 HydrophobicContact CD2-CD1 4.05Å; W47-L98 HydrophobicContact CG-CD1 4.01Å; W47-L98 HydrophobicContact CZ2-CB 4.11Å; I74-L98 HydrophobicContact CD1-CD1 3.83Å; I74-L98 HydrophobicContact CG1-CD1 3.88Å; K96-L98 HydrophobicContact CD-CD2 4.06Å; L98-A153 WeakPolarHBondContact CA-O 3.31Å; L98-A153 HydrophobicContact CB-CB 4.32Å; L98-A153 WeakPolarHBondContact CB-O 3.12Å; L98-A153 PolarHBondContact N-O 2.89Å; L98-L155 HydrophobicContact CD1-CB 3.98Å; L98-L155 HydrophobicContact CD2-CB 4.06Å; L98-L155 HydrophobicContact CG-CB 3.97Å
99	Q	98.7	Very high	97.8	Very high	69 Å²	69	32 Å²	32	32%	0.322	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	143.6	179.4	-173.7	-177.4	-72.7	0	0	110.2	W47 A152 A153	W47-Q99 HydrophobicContact CH2-CB 4.03Å; W47-Q99 HydrophobicContact CZ2-CB 4.14Å; Q99-A152 VanDerWaalsContact O-CA 3.27Å; Q99-A152 WeakPolarHBondContact O-CA 3.29Å; Q99-A152 WeakPolarHBondContact O-CB 3.11Å; Q99-A153 HydrophobicContact CB-CB 4.24Å; Q99-A153 PolarHBondContact N-O 2.8Å; Q99-A153 VanDerWaalsContact N-O 3.1Å; Q99-A153 PolarHBondContact O-N 2.82Å
100	G	98.1	Very high	97.6	Very high	29 Å²	29	31.7 Å²	31.7	30%	0.299	16%	0.163	S	C	.	.	S	Bend	trans	83.2	-141.9	173	0	0	0	0	0	112.7	L97	L97-G100 WeakPolarHBondContact CD2-O 3.21Å
101	Q	98.1	Very high	97.1	Very high	73 Å²	73	29.4 Å²	29.4	34%	0.341	15%	0.15	S	C	.	.			trans	-144.5	146.3	175.2	62.7	-179.7	19.6	0	0	110.2	I125 L126	Q101-I125 HydrophobicContact CB-CG2 3.98Å; Q101-L126 WeakPolarHBondContact CA-O 3.31Å
102	L	98.8	Very high	95.9	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135	173.2	-70.5	174.3	0	0	0	110.2	W77 L95 L97 I125 L126 V143 E144 N145 A152	W77-L102 HydrophobicContact CB-CD2 4.3Å; W77-L102 HydrophobicContact CD2-CD2 3.98Å; W77-L102 HydrophobicContact CG-CD2 3.85Å; W77-L102 HydrophobicContact CZ2-CD1 4.37Å; L95-L102 HydrophobicContact CD2-CD1 4.47Å; L97-L102 HydrophobicContact CD1-CB 4.17Å; L97-L102 HydrophobicContact CD1-CD1 3.49Å; L97-L102 VanDerWaalsContact CD1-CD1 3.49Å; L97-L102 HydrophobicContact CD1-CG 3.57Å; L102-I125 CarbonylContact O-C 3.55Å; L102-I125 WeakPolarHBondContact O-CA 3.37Å; L102-L126 PolarHBondContact N-O 2.6Å; L102-L126 VanDerWaalsContact N-O 3.15Å; L102-L126 PolarHBondContact O-N 3.03Å; L102-V143 HydrophobicContact CB-CG1 4Å; L102-V143 HydrophobicContact CD1-CG1 3.79Å; L102-V143 HydrophobicContact CD2-CG1 4.28Å; L102-V143 HydrophobicContact CG-CG1 4.24Å; L102-E144 WeakPolarHBondContact CA-O 3.48Å; L102-N145 HydrophobicContact CD2-CB 3.88Å; L102-A152 HydrophobicContact CD2-CB 3.9Å; L102-A152 HydrophobicContact CG-CB 4.21Å
103	K	98.8	Very high	94.5	Very high	43 Å²	43	47.3 Å²	47.3	19%	0.187	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.5	168.6	-178.5	-171.5	66.3	-176.2	0	108.1	R124 I125 V143 E144 V146	K103-R124 WeakPolarHBondContact CA-O 3.5Å; K103-I125 HydrophobicContact CB-CD1 3.7Å; K103-I125 HydrophobicContact CG-CD1 3.9Å; K103-V143 WeakPolarHBondContact O-CA 3.39Å; K103-E144 WeakPolarHBondContact CE-OE2 3.15Å; K103-E144 PolarHBondContact N-O 3.45Å; K103-E144 IonicContact NZ-OE1 2.89Å; K103-E144 PolarHBondContact NZ-OE1 3.37Å; K103-E144 IonicContact NZ-OE2 3.02Å; K103-E144 PolarHBondContact NZ-OE2 2.89Å; K103-E144 PolarHBondContact O-N 3.47Å; K103-V146 HydrophobicContact CB-CG1 3.83Å; K103-V146 HydrophobicContact CB-CG2 4.42Å; K103-V146 HydrophobicContact CD-CG1 3.87Å; K103-V146 HydrophobicContact CG-CG1 4.48Å
104	E	98.8	Very high	92.7	Very high	7 Å²	7	50.3 Å²	50.3	3%	0.033	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.5	168.1	-176.3	-176.6	-134.9	0	0	108.9	L106 Q123 R124 H141 R142 V143	E104-L106 HydrophobicContact CG-CD2 4.22Å; E104-Q123 CarbonylContact O-C 3.52Å; E104-Q123 VanDerWaalsContact O-CA 3.22Å; E104-Q123 WeakPolarHBondContact O-CA 3.44Å; E104-R124 HydrophobicContact CB-CG 4.2Å; E104-R124 PolarHBondContact N-O 2.82Å; E104-R124 PolarHBondContact O-N 2.62Å; E104-R124 IonicContact OE1-NH2 2.73Å; E104-R124 IonicContact OE2-CZ 3.1Å; E104-R124 IonicContact OE2-NE 2.7Å; E104-R124 PolarHBondContact OE2-NE 3.48Å; E104-R124 IonicContact OE2-NH2 2.91Å; E104-R124 PolarHBondContact OE2-NH2 3.14Å; E104-H141 HydrophobicContact CG-CB 4.25Å; E104-H141 IonicContact OE1-CE1 2.79Å; E104-H141 IonicContact OE1-CG 2.69Å; E104-H141 IonicContact OE1-ND1 3.67Å; E104-H141 PolarHBondContact OE1-ND1 3.01Å; E104-R142 WeakPolarHBondContact CA-O 3.05Å; E104-V143 HydrophobicContact CG-CG2 4.47Å
105	T	98.7	Very high	91	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.7	173.7	-56.8	0	0	0	0	109.1	F107 Q120 Q123 H141 R142	T105-F107 HydrophobicContact CG2-CD2 4.31Å; T105-F107 HydrophobicContact CG2-CE1 4.4Å; T105-F107 HydrophobicContact CG2-CE2 3.49Å; T105-F107 VanDerWaalsContact CG2-CE2 3.49Å; T105-F107 HydrophobicContact CG2-CZ 3.54Å; T105-F107 WeakPolarHBondContact O-CD2 3.47Å; T105-F107 WeakPolarHBondContact O-CE2 3.36Å; T105-Q120 HydrophobicContact CG2-CB 4.48Å; T105-Q120 HydrophobicContact CG2-CG 3.56Å; T105-Q123 HydrophobicContact CG2-CB 4.47Å; T105-H141 CarbonylContact O-C 3.44Å; T105-H141 VanDerWaalsContact O-CA 3.25Å; T105-H141 WeakPolarHBondContact O-CA 3.32Å; T105-H141 WeakPolarHBondContact O-CB 3.38Å; T105-R142 PolarHBondContact N-O 3.37Å; T105-R142 PolarHBondContact O-N 2.99Å
106	L	98.5	Very high	89.8	Confident	24 Å²	24	60.2 Å²	60.2	13%	0.126	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	141.3	179.2	-63.7	-173.2	0	0	0	110.5	E104 Q120 K121 S122 I134 I138 L140 H141	E104-L106 HydrophobicContact CG-CD2 4.22Å; L106-Q120 CarbonylContact O-C 3.55Å; L106-Q120 WeakPolarHBondContact O-CA 3.19Å; L106-K121 HydrophobicContact CB-CB 4.15Å; L106-K121 HydrophobicContact CB-CD 4.5Å; L106-K121 PolarHBondContact O-N 3.3Å; L106-S122 PolarHBondContact N-O 3.21Å; L106-I134 HydrophobicContact CD2-CD1 3.67Å; L106-I138 HydrophobicContact CD1-CG2 4.47Å; L106-L140 CarbonylContact C-O 3.5Å; L106-L140 WeakPolarHBondContact CA-O 3.35Å; L106-H141 HydrophobicContact CD2-CB 3.65Å
107	F	98.1	Very high	89.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.8	177.9	-64.4	-92.5	0	0	0	110.7	I85 T105 M118 V119 Q120 L140 R142	I85-F107 HydrophobicContact CD1-CD1 4.04Å; I85-F107 HydrophobicContact CD1-CD2 3.95Å; I85-F107 HydrophobicContact CD1-CE1 3.86Å; I85-F107 HydrophobicContact CD1-CE2 3.77Å; I85-F107 HydrophobicContact CD1-CG 4.09Å; I85-F107 HydrophobicContact CD1-CZ 3.73Å; I85-F107 HydrophobicContact CG1-CD2 3.97Å; I85-F107 HydrophobicContact CG1-CE2 3.77Å; I85-F107 HydrophobicContact CG1-CZ 4.19Å; I85-F107 HydrophobicContact CG2-CB 4.34Å; I85-F107 HydrophobicContact CG2-CD2 3.92Å; I85-F107 HydrophobicContact CG2-CG 4.23Å; T105-F107 HydrophobicContact CG2-CD2 4.31Å; T105-F107 HydrophobicContact CG2-CE1 4.4Å; T105-F107 HydrophobicContact CG2-CE2 3.49Å; T105-F107 VanDerWaalsContact CG2-CE2 3.49Å; T105-F107 HydrophobicContact CG2-CZ 3.54Å; T105-F107 WeakPolarHBondContact O-CD2 3.47Å; T105-F107 WeakPolarHBondContact O-CE2 3.36Å; F107-M118 HydrophobicContact CB-CE 4.19Å; F107-M118 HydrophobicContact CD1-CB 3.93Å; F107-V119 VanDerWaalsContact CA-O 3.29Å; F107-V119 WeakPolarHBondContact CA-O 3.49Å; F107-Q120 HydrophobicContact CD1-CB 4.22Å; F107-Q120 HydrophobicContact CE1-CB 3.95Å; F107-L140 HydrophobicContact CB-CB 4.23Å; F107-L140 PolarHBondContact N-O 2.58Å; F107-L140 PolarHBondContact O-N 2.79Å; F107-R142 HydrophobicContact CE2-CB 4.11Å
108	D	96.5	Very high	89	Confident	65 Å²	65	66.5 Å²	66.5	35%	0.348	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-73.4	157.1	166.7	-78.2	-46.5	0	0	0	110.6	V119 K121	D108-V119 PolarHBondContact N-O 3.5Å; D108-K121 HydrophobicContact CB-CD 4.38Å; D108-K121 HydrophobicContact CB-CG 4.3Å; D108-K121 VanDerWaalsContact CG-CG 3.46Å; D108-K121 WeakPolarHBondContact OD1-CD 3.31Å; D108-K121 WeakPolarHBondContact OD1-CE 3.38Å; D108-K121 WeakPolarHBondContact OD1-CG 3.27Å; D108-K121 IonicContact OD1-NZ 3.95Å; D108-K121 PolarHBondContact OD1-NZ 2.96Å; D108-K121 WeakPolarHBondContact OD2-CG 3.31Å
109	W	95.3	Very high	88.8	Confident	106 Å²	106	70.7 Å²	70.7	40%	0.402	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-63.5	138.2	170.1	-74.5	89.3	0	0	0	110.2	D87 D111 D136 L140 F168	D87-W109 HydrophobicContact CB-CH2 3.62Å; D87-W109 HydrophobicContact CB-CZ2 4.06Å; W109-D111 PolarHBondContact O-N 2.81Å; W109-D136 HydrophobicContact CZ2-CB 3.79Å; W109-D136 PolarHBondContact NE1-O 3.27Å; W109-L140 HydrophobicContact CD2-CD1 4.3Å; W109-L140 HydrophobicContact CD2-CD2 4.04Å; W109-L140 HydrophobicContact CD2-CG 4.12Å; W109-L140 HydrophobicContact CE3-CD1 4.27Å; W109-L140 HydrophobicContact CE3-CD2 4.14Å; W109-L140 HydrophobicContact CE3-CG 4.44Å; W109-L140 HydrophobicContact CG-CG 4.49Å; W109-L140 HydrophobicContact CH2-CD2 3.71Å; W109-L140 HydrophobicContact CZ2-CD2 3.56Å; W109-L140 HydrophobicContact CZ2-CG 4.42Å; W109-L140 HydrophobicContact CZ3-CD2 4Å; W109-F168 HydrophobicContact CE3-CE1 4.41Å; W109-F168 HydrophobicContact CE3-CZ 4.1Å; W109-F168 HydrophobicContact CH2-CZ 4.34Å; W109-F168 HydrophobicContact CZ3-CE1 4.29Å; W109-F168 HydrophobicContact CZ3-CE2 4.49Å; W109-F168 AromaticContact CZ3-CZ 3.61Å; W109-F168 HydrophobicContact CZ3-CZ 3.61Å
110	P	91.4	Very high	88.7	Confident	44 Å²	44	71.7 Å²	71.7	29%	0.286	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-66.4	133.4	179.5	27.3	-33.3	0	0	0	110.6	F168	P110-F168 HydrophobicContact CG-CD1 3.94Å; P110-F168 HydrophobicContact CG-CE1 3.93Å
111	D	83.8	Confident	88.7	Confident	96 Å²	96	74.9 Å²	74.9	51%	0.513	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-71.5	133.9	172.2	-176.1	-6	0	0	0	109.3	W109 K113 S114	W109-D111 PolarHBondContact O-N 2.81Å; D111-K113 PolarHBondContact O-N 2.76Å; D111-K113 PolarHBondContact OD1-N 3.41Å; D111-S114 PolarHBondContact O-N 2.98Å
112	R	70.2	Confident	88.7	Confident	242 Å²	242	74.2 Å²	74.2	91%	0.913	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-21	175.6	-68	-174.5	174.7	-162	-0.5	113.1
113	K	68.5	Low	88.6	Confident	183 Å²	183	80 Å²	80	80%	0.796	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-18.3	-178.7	-63.2	-178.9	-177.4	176.5	0	113.9	D111	D111-K113 PolarHBondContact O-N 2.76Å; D111-K113 PolarHBondContact OD1-N 3.41Å
114	S	59.9	Low	88.6	Confident	64 Å²	64	83.1 Å²	83.1	45%	0.448	41%	0.406	S	S	.	.			trans	-96.1	106.7	179.2	76.2	0	0	0	0	109.7	D111 G116	D111-S114 PolarHBondContact O-N 2.98Å; S114-G116 PolarHBondContact O-N 3.27Å
115	H	64.1	Low	88.5	Confident	180 Å²	180	86.5 Å²	86.5	83%	0.833	42%	0.424	S	S	*	.			trans	-81.3	112.5	161	-64.6	-60.5	0	0	0	107.6
116	G	73.4	Confident	88.5	Confident	33 Å²	33	87 Å²	87	34%	0.34	43%	0.426	S	S	.	.	S	Bend	trans	171	179.3	-178.4	0	0	0	0	0	112.9	S114 R171	S114-G116 PolarHBondContact O-N 3.27Å; G116-R171 CarbonylContact C-O 3.59Å; G116-R171 CarbonylContact O-C 3.53Å; G116-R171 VanDerWaalsContact O-O 3.13Å
117	D	87.8	Confident	88.5	Confident	116 Å²	116	90.5 Å²	90.5	62%	0.62	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-60.5	140	-179.1	-61.1	-41.8	0	0	0	111	Q170 R171	D117-Q170 CarbonylContact C-O 3.47Å; D117-Q170 WeakPolarHBondContact CA-O 3.46Å; D117-R171 PolarHBondContact N-O 2.89Å; D117-R171 VanDerWaalsContact OD1-CA 3.29Å; D117-R171 WeakPolarHBondContact OD1-CA 3.32Å
118	M	93.4	Very high	88.5	Confident	15 Å²	15	94.9 Å²	94.9	7%	0.074	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-62.1	136.6	173.8	-66.4	-168.4	77.3	0	0	110.6	I85 F107 Q120 L140 F168 Q170	I85-M118 HydrophobicContact CB-SD 4.35Å; I85-M118 HydrophobicContact CD1-SD 3.59Å; I85-M118 VanDerWaalsContact CD1-SD 3.59Å; I85-M118 HydrophobicContact CG2-CE 3.92Å; I85-M118 HydrophobicContact CG2-SD 3.99Å; F107-M118 HydrophobicContact CB-CE 4.19Å; F107-M118 HydrophobicContact CD1-CB 3.93Å; M118-Q120 PolarHBondContact O-N 2.68Å; M118-L140 HydrophobicContact CE-CD1 3.39Å; M118-F168 HydrophobicContact CE-CB 3.97Å; M118-F168 HydrophobicContact CE-CD1 4.35Å; M118-F168 HydrophobicContact CE-CG 4.2Å; M118-F168 HydrophobicContact SD-CB 3.52Å; M118-F168 VanDerWaalsContact SD-CB 3.52Å; M118-F168 HydrophobicContact SD-CG 4.37Å; M118-Q170 HydrophobicContact CB-CG 4.43Å; M118-Q170 PolarHBondContact N-O 3.17Å
119	V	94.7	Very high	88.6	Confident	92 Å²	92	93.7 Å²	93.7	56%	0.558	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-82.7	116.8	-177.9	-177.9	0	0	0	0	109.9	F107 D108	F107-V119 VanDerWaalsContact CA-O 3.29Å; F107-V119 WeakPolarHBondContact CA-O 3.49Å; D108-V119 PolarHBondContact N-O 3.5Å
120	Q	96.6	Very high	88.7	Confident	90 Å²	90	93.5 Å²	93.5	42%	0.421	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	123.5	170.5	176	175.5	-21.4	0	0	109.9	T105 L106 F107 M118	T105-Q120 HydrophobicContact CG2-CB 4.48Å; T105-Q120 HydrophobicContact CG2-CG 3.56Å; L106-Q120 CarbonylContact O-C 3.55Å; L106-Q120 WeakPolarHBondContact O-CA 3.19Å; F107-Q120 HydrophobicContact CD1-CB 4.22Å; F107-Q120 HydrophobicContact CE1-CB 3.95Å; M118-Q120 PolarHBondContact O-N 2.68Å
121	K	96.6	Very high	89.1	Confident	96 Å²	96	92 Å²	92	42%	0.417	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-47.5	177.6	-60.4	175.5	79.8	143.3	0	111.9	L106 D108 I138	L106-K121 HydrophobicContact CB-CB 4.15Å; L106-K121 HydrophobicContact CB-CD 4.5Å; L106-K121 PolarHBondContact O-N 3.3Å; D108-K121 HydrophobicContact CB-CD 4.38Å; D108-K121 HydrophobicContact CB-CG 4.3Å; D108-K121 VanDerWaalsContact CG-CG 3.46Å; D108-K121 WeakPolarHBondContact OD1-CD 3.31Å; D108-K121 WeakPolarHBondContact OD1-CE 3.38Å; D108-K121 WeakPolarHBondContact OD1-CG 3.27Å; D108-K121 IonicContact OD1-NZ 3.95Å; D108-K121 PolarHBondContact OD1-NZ 2.96Å; D108-K121 WeakPolarHBondContact OD2-CG 3.31Å; K121-I138 PolarHBondContact NZ-O 2.88Å
122	S	97.9	Very high	89.8	Confident	58 Å²	58	87.6 Å²	87.6	41%	0.406	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	169	-175.5	64.7	0	0	0	0	110.4	L106	L106-S122 PolarHBondContact N-O 3.21Å
123	Q	98	Very high	91.1	Very high	125 Å²	125	77.8 Å²	77.8	58%	0.584	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.1	170.3	62.3	179.4	7.1	0	0	110	E104 T105	E104-Q123 CarbonylContact O-C 3.52Å; E104-Q123 VanDerWaalsContact O-CA 3.22Å; E104-Q123 WeakPolarHBondContact O-CA 3.44Å; T105-Q123 HydrophobicContact CG2-CB 4.47Å
124	R	97.6	Very high	92.6	Very high	107 Å²	107	69.1 Å²	69.1	40%	0.404	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	156.5	173.5	61.2	177.4	173.3	-168.5	-8.8	111.2	K103 E104	K103-R124 WeakPolarHBondContact CA-O 3.5Å; E104-R124 HydrophobicContact CB-CG 4.2Å; E104-R124 PolarHBondContact N-O 2.82Å; E104-R124 PolarHBondContact O-N 2.62Å; E104-R124 IonicContact OE1-NH2 2.73Å; E104-R124 IonicContact OE2-CZ 3.1Å; E104-R124 IonicContact OE2-NE 2.7Å; E104-R124 PolarHBondContact OE2-NE 3.48Å; E104-R124 IonicContact OE2-NH2 2.91Å; E104-R124 PolarHBondContact OE2-NH2 3.14Å
125	I	98.5	Very high	94.4	Very high	78 Å²	78	67.5 Å²	67.5	40%	0.4	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117	166.1	-53.8	-57.7	0	0	0	107.6	Q101 L102 K103 Q127	Q101-I125 HydrophobicContact CB-CG2 3.98Å; L102-I125 CarbonylContact O-C 3.55Å; L102-I125 WeakPolarHBondContact O-CA 3.37Å; K103-I125 HydrophobicContact CB-CD1 3.7Å; K103-I125 HydrophobicContact CG-CD1 3.9Å; I125-Q127 VanDerWaalsContact CG2-NE2 3.31Å
126	L	98.2	Very high	95.9	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.068	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.5	169.8	-165.1	69.1	0	0	0	108.7	L95 L97 Q101 L102 K130 A132	L95-L126 HydrophobicContact CD2-CD2 3.34Å; L97-L126 HydrophobicContact CB-CD2 4.03Å; L97-L126 HydrophobicContact CB-CG 4.2Å; L97-L126 VanDerWaalsContact CD2-O 3.32Å; L97-L126 WeakPolarHBondContact CD2-O 3.39Å; Q101-L126 WeakPolarHBondContact CA-O 3.31Å; L102-L126 PolarHBondContact N-O 2.6Å; L102-L126 VanDerWaalsContact N-O 3.15Å; L102-L126 PolarHBondContact O-N 3.03Å; L126-K130 HydrophobicContact CD1-CB 3.49Å; L126-K130 VanDerWaalsContact CD1-CB 3.49Å; L126-K130 HydrophobicContact CG-CB 4.1Å; L126-A132 HydrophobicContact CD1-CB 4.28Å; L126-A132 HydrophobicContact CD2-CB 4.16Å
127	Q	98.2	Very high	97.1	Very high	97 Å²	97	63.2 Å²	63.2	45%	0.453	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-99.7	165.7	180	-65.2	-65.6	-32	0	0	110.4	L97 I125 K130	L97-Q127 WeakPolarHBondContact CB-O 3.37Å; L97-Q127 VanDerWaalsContact CD2-C 3.42Å; I125-Q127 VanDerWaalsContact CG2-NE2 3.31Å; Q127-K130 HydrophobicContact CB-CG 4.21Å; Q127-K130 VanDerWaalsContact O-CB 3.27Å; Q127-K130 WeakPolarHBondContact O-CB 3.4Å; Q127-K130 PolarHBondContact O-N 2.96Å; Q127-K130 VanDerWaalsContact O-N 3.1Å
128	E	98.3	Very high	97.5	Very high	93 Å²	93	60.5 Å²	60.5	44%	0.435	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	142.1	-178.4	-161.8	179.7	130	0	0	111.8	K130	E128-K130 PolarHBondContact O-N 2.86Å
129	N	98.3	Very high	97.7	Very high	40 Å²	40	59.9 Å²	59.9	21%	0.214	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	-8.8	-175.5	-64.4	-58.3	0	0	0	116.4	S42 K96 L97	S42-N129 VanDerWaalsContact CB-OD1 3.29Å; S42-N129 WeakPolarHBondContact CB-OD1 3.25Å; S42-N129 PolarHBondContact N-OD1 3.39Å; K96-N129 PolarHBondContact NZ-O 2.82Å; L97-N129 WeakPolarHBondContact O-CA 3.46Å; L97-N129 PolarHBondContact O-N 3.11Å
130	K	98.4	Very high	97.8	Very high	102 Å²	102	55.5 Å²	55.5	44%	0.443	28%	0.276	S	S	.	.			trans	-74.4	148.8	176.6	-60.8	-52.2	-171.1	-175.6	0	112.5	E38 K96 L97 L126 Q127 E128	E38-K130 WeakPolarHBondContact OE1-CD 3.41Å; E38-K130 IonicContact OE1-NZ 3.96Å; E38-K130 PolarHBondContact OE1-NZ 2.95Å; K96-K130 WeakPolarHBondContact CA-O 3.41Å; L97-K130 PolarHBondContact N-O 2.86Å; L126-K130 HydrophobicContact CD1-CB 3.49Å; L126-K130 VanDerWaalsContact CD1-CB 3.49Å; L126-K130 HydrophobicContact CG-CB 4.1Å; Q127-K130 HydrophobicContact CB-CG 4.21Å; Q127-K130 VanDerWaalsContact O-CB 3.27Å; Q127-K130 WeakPolarHBondContact O-CB 3.4Å; Q127-K130 PolarHBondContact O-N 2.96Å; Q127-K130 VanDerWaalsContact O-N 3.1Å; E128-K130 PolarHBondContact O-N 2.86Å
131	V	98.6	Very high	97.9	Very high	13 Å²	13	51.2 Å²	51.2	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.8	179.3	-178.4	0	0	0	0	110.6	Q34 M37 E38 L95 K96	Q34-V131 HydrophobicContact CB-CG1 4.39Å; Q34-V131 HydrophobicContact CG-CG1 4.13Å; M37-V131 HydrophobicContact CB-CG2 3.94Å; E38-V131 HydrophobicContact CB-CB 4.32Å; E38-V131 HydrophobicContact CB-CG2 3.65Å; E38-V131 HydrophobicContact CG-CG2 4.39Å; L95-V131 CarbonylContact O-C 3.59Å; L95-V131 VanDerWaalsContact O-CA 3.32Å; L95-V131 WeakPolarHBondContact O-CA 3.47Å; K96-V131 HydrophobicContact CB-CG2 3.85Å; K96-V131 HydrophobicContact CG-CG2 3.87Å
132	A	98.3	Very high	98	Very high	2 Å²	2	48.6 Å²	48.6	2%	0.017	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	149	165.2	0	0	0	0	0	109.6	F94 L95 L126	F94-A132 WeakPolarHBondContact CA-O 3.32Å; L95-A132 HydrophobicContact CB-CB 4.33Å; L95-A132 PolarHBondContact N-O 2.95Å; L95-A132 PolarHBondContact O-N 2.79Å; L126-A132 HydrophobicContact CD1-CB 4.28Å; L126-A132 HydrophobicContact CD2-CB 4.16Å
133	Y	98.6	Very high	98.1	Very high	36 Å²	36	46 Å²	46	14%	0.141	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.6	171.9	168.9	-99	0	0	0	109.8	V30 H92 C93 F94 N135 I138	V30-Y133 HydrophobicContact CB-CE2 4.49Å; V30-Y133 HydrophobicContact CG1-CD1 3.75Å; V30-Y133 HydrophobicContact CG1-CD2 3.65Å; V30-Y133 HydrophobicContact CG1-CE1 3.76Å; V30-Y133 HydrophobicContact CG1-CE2 3.65Å; V30-Y133 HydrophobicContact CG1-CG 3.69Å; V30-Y133 HydrophobicContact CG2-CE1 4.43Å; V30-Y133 HydrophobicContact CG2-CE2 3.99Å; H92-Y133 HydrophobicContact CB-CE2 4.06Å; H92-Y133 PolarHBondContact CE1-OH 2.79Å; H92-Y133 AromaticContact ND1-CE2 3.63Å; H92-Y133 AromaticContact ND1-CZ 3.64Å; H92-Y133 PolarHBondContact ND1-OH 2.81Å; C93-Y133 WeakPolarHBondContact O-CA 3.45Å; C93-Y133 WeakPolarHBondContact O-CD2 3.47Å; F94-Y133 AromaticContact CD1-CD2 3.8Å; F94-Y133 HydrophobicContact CD1-CD2 3.8Å; F94-Y133 AromaticContact CE1-CD2 3.6Å; F94-Y133 HydrophobicContact CE1-CD2 3.6Å; F94-Y133 HydrophobicContact CE1-CE2 4.08Å; F94-Y133 HydrophobicContact CE1-CG 4.5Å; F94-Y133 HydrophobicContact CE2-CD2 4.37Å; F94-Y133 HydrophobicContact CE2-CE2 4.32Å; F94-Y133 HydrophobicContact CG-CD2 4.26Å; F94-Y133 AromaticContact CZ-CD2 3.91Å; F94-Y133 HydrophobicContact CZ-CD2 3.91Å; F94-Y133 AromaticContact CZ-CE2 3.92Å; F94-Y133 HydrophobicContact CZ-CE2 3.92Å; Y133-N135 PolarHBondContact OH-ND2 3.09Å; Y133-I138 HydrophobicContact CD1-CD1 3.83Å; Y133-I138 HydrophobicContact CE1-CD1 3.62Å
134	I	98.4	Very high	98.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.2	172.9	-167.3	170.6	0	0	0	110.3	H88 C93 L106 I138 H141	H88-I134 WeakPolarHBondContact CE1-CG2 3.49Å; C93-I134 HydrophobicContact CB-CG2 3.65Å; C93-I134 WeakPolarHBondContact CB-O 3.31Å; C93-I134 PolarHBondContact N-O 3.15Å; C93-I134 PolarHBondContact O-N 2.67Å; L106-I134 HydrophobicContact CD2-CD1 3.67Å; I134-I138 HydrophobicContact CG1-CB 4.22Å; I134-I138 HydrophobicContact CG1-CG2 4.25Å; I134-H141 HydrophobicContact CD1-CB 3.68Å
135	N	97.8	Very high	98.2	Very high	30 Å²	30	36.9 Å²	36.9	16%	0.16	19%	0.187	C	C	.	.			trans	-145	174.7	160.8	69.3	12.9	0	0	0	108.4	Y133 S137 I138 G139	Y133-N135 PolarHBondContact OH-ND2 3.09Å; N135-S137 PolarHBondContact O-N 2.96Å; N135-S137 VanDerWaalsContact O-N 3.11Å; N135-S137 WeakPolarHBondContact OD1-CB 3.48Å; N135-S137 PolarHBondContact OD1-N 3.23Å; N135-S137 VanDerWaalsContact OD1-N 3.14Å; N135-S137 PolarHBondContact OD1-OG 3.25Å; N135-I138 WeakPolarHBondContact O-CB 3.46Å; N135-I138 PolarHBondContact O-N 3.35Å; N135-I138 PolarHBondContact OD1-N 2.86Å; N135-G139 PolarHBondContact O-N 2.91Å
136	D	97	Very high	98.1	Very high	17 Å²	17	35.6 Å²	35.6	9%	0.091	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23	-174.2	-70.9	-9.6	0	0	0	113.9	H88 T89 D90 W109 I138	H88-D136 PolarHBondContact N-OD1 3.36Å; H88-D136 IonicContact ND1-OD1 2.68Å; T89-D136 PolarHBondContact N-OD2 2.87Å; T89-D136 VanDerWaalsContact N-OD2 3.07Å; D90-D136 PolarHBondContact N-OD2 2.72Å; W109-D136 HydrophobicContact CZ2-CB 3.79Å; W109-D136 PolarHBondContact NE1-O 3.27Å; D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 3.48Å
137	S	97	Very high	98.1	Very high	106 Å²	106	35.8 Å²	35.8	74%	0.741	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.5	174.5	77.2	0	0	0	0	113.7	N135	N135-S137 PolarHBondContact O-N 2.96Å; N135-S137 VanDerWaalsContact O-N 3.11Å; N135-S137 WeakPolarHBondContact OD1-CB 3.48Å; N135-S137 PolarHBondContact OD1-N 3.23Å; N135-S137 VanDerWaalsContact OD1-N 3.14Å; N135-S137 PolarHBondContact OD1-OG 3.25Å
138	I	97.3	Very high	98	Very high	59 Å²	59	38.5 Å²	38.5	30%	0.303	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-43	177	-67.5	166.6	0	0	0	110.2	L106 K121 Y133 I134 N135 D136	L106-I138 HydrophobicContact CD1-CG2 4.47Å; K121-I138 PolarHBondContact NZ-O 2.88Å; Y133-I138 HydrophobicContact CD1-CD1 3.83Å; Y133-I138 HydrophobicContact CE1-CD1 3.62Å; I134-I138 HydrophobicContact CG1-CB 4.22Å; I134-I138 HydrophobicContact CG1-CG2 4.25Å; N135-I138 WeakPolarHBondContact O-CB 3.46Å; N135-I138 PolarHBondContact O-N 3.35Å; N135-I138 PolarHBondContact OD1-N 2.86Å; D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 3.48Å
139	G	97.2	Very high	98	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	21%	0.205	C	C	.	.			trans	149.4	-163.1	177.8	0	0	0	0	0	112.6	N135	N135-G139 PolarHBondContact O-N 2.91Å
140	L	98.2	Very high	97.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	160	175.6	-56.3	173.4	0	0	0	109.1	I85 D87 L106 F107 W109 M118 F168	I85-L140 HydrophobicContact CG2-CB 3.83Å; I85-L140 HydrophobicContact CG2-CD1 4.37Å; D87-L140 HydrophobicContact CB-CD2 3.55Å; L106-L140 CarbonylContact C-O 3.5Å; L106-L140 WeakPolarHBondContact CA-O 3.35Å; F107-L140 HydrophobicContact CB-CB 4.23Å; F107-L140 PolarHBondContact N-O 2.58Å; F107-L140 PolarHBondContact O-N 2.79Å; W109-L140 HydrophobicContact CD2-CD1 4.3Å; W109-L140 HydrophobicContact CD2-CD2 4.04Å; W109-L140 HydrophobicContact CD2-CG 4.12Å; W109-L140 HydrophobicContact CE3-CD1 4.27Å; W109-L140 HydrophobicContact CE3-CD2 4.14Å; W109-L140 HydrophobicContact CE3-CG 4.44Å; W109-L140 HydrophobicContact CG-CG 4.49Å; W109-L140 HydrophobicContact CH2-CD2 3.71Å; W109-L140 HydrophobicContact CZ2-CD2 3.56Å; W109-L140 HydrophobicContact CZ2-CG 4.42Å; W109-L140 HydrophobicContact CZ3-CD2 4Å; M118-L140 HydrophobicContact CE-CD1 3.39Å; L140-F168 HydrophobicContact CD1-CD1 4.07Å; L140-F168 HydrophobicContact CD1-CD2 3.77Å; L140-F168 HydrophobicContact CD1-CE1 4.01Å; L140-F168 HydrophobicContact CD1-CE2 3.73Å; L140-F168 HydrophobicContact CD1-CG 3.96Å; L140-F168 HydrophobicContact CD1-CZ 3.86Å; L140-F168 HydrophobicContact CD2-CD2 4.25Å; L140-F168 HydrophobicContact CD2-CE2 3.62Å; L140-F168 HydrophobicContact CD2-CZ 4.02Å; L140-F168 HydrophobicContact CG-CE2 4.31Å
141	H	98.6	Very high	97.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	162.2	172.3	76.4	176	0	0	0	114.5	I85 H86 H88 E104 T105 L106 I134	I85-H141 WeakPolarHBondContact CA-O 3.29Å; H86-H141 AromaticContact CE1-CD2 3.6Å; H86-H141 AromaticContact CE1-NE2 3.6Å; H86-H141 PolarHBondContact N-O 3.21Å; H86-H141 PolarHBondContact ND1-O 2.86Å; H86-H141 AromaticContact NE2-CD2 3.76Å; H86-H141 AromaticContact NE2-NE2 3.45Å; H86-H141 PolarHBondContact NE2-NE2 3.35Å; H86-H141 PolarHBondContact O-N 2.83Å; H88-H141 AromaticContact CE1-CD2 3.51Å; H88-H141 AromaticContact CE1-CE1 3.78Å; H88-H141 AromaticContact CE1-NE2 3.27Å; H88-H141 PolarHBondContact CE1-NE2 3.49Å; H88-H141 VanDerWaalsContact CE1-NE2 3.27Å; H88-H141 AromaticContact NE2-CD2 3.9Å; H88-H141 AromaticContact NE2-CE1 3.76Å; H88-H141 AromaticContact NE2-NE2 3.21Å; H88-H141 PolarHBondContact NE2-NE2 3.07Å; E104-H141 HydrophobicContact CG-CB 4.25Å; E104-H141 IonicContact OE1-CE1 2.79Å; E104-H141 IonicContact OE1-CG 2.69Å; E104-H141 IonicContact OE1-ND1 3.67Å; E104-H141 PolarHBondContact OE1-ND1 3.01Å; T105-H141 CarbonylContact O-C 3.44Å; T105-H141 VanDerWaalsContact O-CA 3.25Å; T105-H141 WeakPolarHBondContact O-CA 3.32Å; T105-H141 WeakPolarHBondContact O-CB 3.38Å; L106-H141 HydrophobicContact CD2-CB 3.65Å; I134-H141 HydrophobicContact CD1-CB 3.68Å
142	R	98.6	Very high	97.9	Very high	41 Å²	41	39 Å²	39	16%	0.155	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.6	163.8	169.1	167.2	67	-125.3	2	108.8	S83 I85 E104 T105 F107 E144 Q170	S83-R142 WeakPolarHBondContact O-CD 3.21Å; S83-R142 WeakPolarHBondContact O-CG 3.1Å; I85-R142 HydrophobicContact CG1-CB 4.1Å; E104-R142 WeakPolarHBondContact CA-O 3.05Å; T105-R142 PolarHBondContact N-O 3.37Å; T105-R142 PolarHBondContact O-N 2.99Å; F107-R142 HydrophobicContact CE2-CB 4.11Å; R142-E144 WeakPolarHBondContact CD-OE2 3.43Å; R142-E144 HydrophobicContact CG-CG 3.71Å; R142-E144 IonicContact CZ-OE2 3.85Å; R142-E144 IonicContact NE-OE2 2.83Å; R142-E144 PolarHBondContact NE-OE2 3.07Å; R142-Q170 VanDerWaalsContact NH2-OE1 3.08Å
143	V	98.6	Very high	98	Very high	2 Å²	2	39 Å²	39	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.8	178.9	-176.4	0	0	0	0	108.7	W77 G82 S83 L95 L102 K103 E104	W77-V143 HydrophobicContact CH2-CB 3.87Å; W77-V143 HydrophobicContact CH2-CG1 3.87Å; W77-V143 HydrophobicContact CZ2-CB 4.4Å; W77-V143 HydrophobicContact CZ2-CG1 3.96Å; W77-V143 HydrophobicContact CZ3-CB 4.4Å; W77-V143 HydrophobicContact CZ3-CG1 4.4Å; W77-V143 WeakPolarHBondContact CZ3-O 3.36Å; G82-V143 CarbonylContact C-O 3.52Å; G82-V143 VanDerWaalsContact CA-O 3.32Å; G82-V143 WeakPolarHBondContact CA-O 3.42Å; S83-V143 PolarHBondContact N-O 3.24Å; S83-V143 PolarHBondContact OG-N 2.65Å; S83-V143 VanDerWaalsContact OG-N 3.07Å; L95-V143 HydrophobicContact CD1-CG1 4.12Å; L95-V143 HydrophobicContact CD1-CG2 4.05Å; L102-V143 HydrophobicContact CB-CG1 4Å; L102-V143 HydrophobicContact CD1-CG1 3.79Å; L102-V143 HydrophobicContact CD2-CG1 4.28Å; L102-V143 HydrophobicContact CG-CG1 4.24Å; K103-V143 WeakPolarHBondContact O-CA 3.39Å; E104-V143 HydrophobicContact CG-CG2 4.47Å
144	E	98.7	Very high	98	Very high	39 Å²	39	37.2 Å²	37.2	18%	0.182	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.3	-172.1	-61	165.5	65.7	0	0	111.1	L102 K103 R142 V146	L102-E144 WeakPolarHBondContact CA-O 3.48Å; K103-E144 WeakPolarHBondContact CE-OE2 3.15Å; K103-E144 PolarHBondContact N-O 3.45Å; K103-E144 IonicContact NZ-OE1 2.89Å; K103-E144 PolarHBondContact NZ-OE1 3.37Å; K103-E144 IonicContact NZ-OE2 3.02Å; K103-E144 PolarHBondContact NZ-OE2 2.89Å; K103-E144 PolarHBondContact O-N 3.47Å; R142-E144 WeakPolarHBondContact CD-OE2 3.43Å; R142-E144 HydrophobicContact CG-CG 3.71Å; R142-E144 IonicContact CZ-OE2 3.85Å; R142-E144 IonicContact NE-OE2 2.83Å; R142-E144 PolarHBondContact NE-OE2 3.07Å; E144-V146 HydrophobicContact CB-CG1 4.07Å; E144-V146 PolarHBondContact O-N 3.49Å
145	N	98.6	Very high	98	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.011	20%	0.203	C	C	.	.			trans	-81.3	98	158.2	-179	11.9	0	0	0	108.7	W77 G78 G80 H81 L102 S147 E150 A152	W77-N145 HydrophobicContact CB-CB 3.77Å; W77-N145 PolarHBondContact O-ND2 2.86Å; G78-N145 PolarHBondContact O-ND2 3.39Å; G80-N145 CarbonylContact C-O 3.1Å; G80-N145 WeakPolarHBondContact CA-O 3.36Å; G80-N145 PolarHBondContact N-O 2.75Å; H81-N145 PolarHBondContact O-N 3.22Å; L102-N145 HydrophobicContact CD2-CB 3.88Å; N145-S147 PolarHBondContact O-N 3.02Å; N145-S147 WeakPolarHBondContact OD1-CB 3.09Å; N145-S147 PolarHBondContact OD1-N 2.81Å; N145-E150 PolarHBondContact ND2-O 2.96Å; N145-A152 HydrophobicContact CB-CB 4.36Å
146	V	97.4	Very high	98.1	Very high	51 Å²	51	35.9 Å²	35.9	31%	0.309	20%	0.196	S	C	.	.			trans	-79.8	-0.1	179	-62	0	0	0	0	113.4	K103 E144	K103-V146 HydrophobicContact CB-CG1 3.83Å; K103-V146 HydrophobicContact CB-CG2 4.42Å; K103-V146 HydrophobicContact CD-CG1 3.87Å; K103-V146 HydrophobicContact CG-CG1 4.48Å; E144-V146 HydrophobicContact CB-CG1 4.07Å; E144-V146 PolarHBondContact O-N 3.49Å
147	S	97.9	Very high	98.1	Very high	18 Å²	18	35 Å²	35	13%	0.126	19%	0.191	C	C	.	.			trans	-73.9	140.7	174.3	-173	0	0	0	0	111	E79 G80 N145 T149 E150	E79-S147 CarbonylContact C-O 3.56Å; E79-S147 WeakPolarHBondContact CA-O 3.3Å; G80-S147 PolarHBondContact N-O 3.29Å; N145-S147 PolarHBondContact O-N 3.02Å; N145-S147 WeakPolarHBondContact OD1-CB 3.09Å; N145-S147 PolarHBondContact OD1-N 2.81Å; S147-T149 PolarHBondContact OG-N 2.94Å; S147-E150 WeakPolarHBondContact CB-O 3.42Å; S147-E150 WeakPolarHBondContact OG-CB 3.26Å; S147-E150 PolarHBondContact OG-N 2.79Å
148	H	96.8	Very high	98.2	Very high	153 Å²	153	30.2 Å²	30.2	71%	0.708	16%	0.157	S	C	*	.	S	Bend	trans	-102.9	4.5	174	-63.8	-69.3	0	0	0	113
149	T	97.3	Very high	98.2	Very high	97 Å²	97	27.7 Å²	27.7	60%	0.595	14%	0.144	S	C	*	.	S	Bend	trans	-138.4	-11.3	-176.6	60.5	0	0	0	0	113.6	S147	S147-T149 PolarHBondContact OG-N 2.94Å
150	E	97.6	Very high	98.3	Very high	121 Å²	121	31 Å²	31	57%	0.565	17%	0.166	S	C	*	.			trans	-129.9	135.5	-174.8	-59.4	-60.7	151.1	0	0	109.8	N145 S147	N145-E150 PolarHBondContact ND2-O 2.96Å; S147-E150 WeakPolarHBondContact CB-O 3.42Å; S147-E150 WeakPolarHBondContact OG-CB 3.26Å; S147-E150 PolarHBondContact OG-N 2.79Å
151	C	98.3	Very high	98.1	Very high	42 Å²	42	33.2 Å²	33.2	28%	0.284	18%	0.18	S	C	.	.			trans	-80.6	155.1	170	-68.7	0	0	0	0	111	F53 W77	F53-C151 HydrophobicContact CE1-CB 3.7Å; F53-C151 HydrophobicContact CZ-CB 4Å; W77-C151 WeakPolarHBondContact O-CA 3.24Å
152	A	98.8	Very high	98	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.4	172.7	0	0	0	0	0	111.6	W77 Q99 L102 N145	W77-A152 HydrophobicContact CB-CB 4.21Å; W77-A152 PolarHBondContact N-O 3.43Å; W77-A152 PolarHBondContact O-N 3.1Å; Q99-A152 VanDerWaalsContact O-CA 3.27Å; Q99-A152 WeakPolarHBondContact O-CA 3.29Å; Q99-A152 WeakPolarHBondContact O-CB 3.11Å; L102-A152 HydrophobicContact CD2-CB 3.9Å; L102-A152 HydrophobicContact CG-CB 4.21Å; N145-A152 HydrophobicContact CB-CB 4.36Å
153	A	98.8	Very high	97.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.5	172.2	0	0	0	0	0	109.6	W47 L75 L97 L98 Q99	W47-A153 HydrophobicContact CH2-CB 4.08Å; W47-A153 HydrophobicContact CZ3-CB 4.04Å; L75-A153 WeakPolarHBondContact O-CA 3.47Å; L97-A153 WeakPolarHBondContact CD1-O 3.25Å; L98-A153 WeakPolarHBondContact CA-O 3.31Å; L98-A153 HydrophobicContact CB-CB 4.32Å; L98-A153 WeakPolarHBondContact CB-O 3.12Å; L98-A153 PolarHBondContact N-O 2.89Å; Q99-A153 HydrophobicContact CB-CB 4.24Å; Q99-A153 PolarHBondContact N-O 2.8Å; Q99-A153 VanDerWaalsContact N-O 3.1Å; Q99-A153 PolarHBondContact O-N 2.82Å
154	S	98.9	Very high	97.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.7	177.7	53.8	0	0	0	0	111.2	I74 L75 W77 K96 H156	I74-S154 CarbonylContact C-O 3.59Å; I74-S154 VanDerWaalsContact CA-O 3.27Å; I74-S154 WeakPolarHBondContact CA-O 3.2Å; L75-S154 PolarHBondContact N-O 2.7Å; L75-S154 PolarHBondContact O-N 2.68Å; W77-S154 PolarHBondContact NE1-OG 3.03Å; K96-S154 CarbonylContact O-C 3.57Å; K96-S154 VanDerWaalsContact O-CA 3.25Å; K96-S154 WeakPolarHBondContact O-CA 3.25Å; K96-S154 WeakPolarHBondContact O-CB 3.28Å; S154-H156 PolarHBondContact OG-CD2 3.17Å; S154-H156 VanDerWaalsContact OG-CD2 3.24Å; S154-H156 PolarHBondContact OG-NE2 3.31Å
155	L	98.9	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.9	172	-175.5	68.2	0	0	0	108.8	L12 L15 M37 L72 I74 L95 K96 L98	L12-L155 HydrophobicContact CD1-CD2 4.31Å; L15-L155 HydrophobicContact CD2-CD2 3.83Å; M37-L155 HydrophobicContact CE-CD2 4.22Å; M37-L155 HydrophobicContact CE-CG 4.33Å; L72-L155 HydrophobicContact CD1-CD1 3.73Å; L72-L155 HydrophobicContact CD1-CD2 4.12Å; L72-L155 HydrophobicContact CD1-CG 3.78Å; L72-L155 HydrophobicContact CD2-CD1 4.14Å; L72-L155 HydrophobicContact CG-CD1 3.76Å; L72-L155 HydrophobicContact CG-CG 4.37Å; I74-L155 HydrophobicContact CD1-CD1 4.41Å; I74-L155 HydrophobicContact CG1-CD1 3.74Å; L95-L155 CarbonylContact C-O 3.51Å; L95-L155 WeakPolarHBondContact CA-O 3.1Å; K96-L155 HydrophobicContact CB-CB 4.24Å; K96-L155 PolarHBondContact N-O 2.83Å; K96-L155 PolarHBondContact O-N 3.1Å; L98-L155 HydrophobicContact CD1-CB 3.98Å; L98-L155 HydrophobicContact CD2-CB 4.06Å; L98-L155 HydrophobicContact CG-CB 3.97Å
156	H	98.8	Very high	97.3	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.2	-179.7	-71.2	-118.5	0	0	0	110.4	L72 M73 L75 F94 L95 S154 Y158	L72-H156 WeakPolarHBondContact CA-O 3.48Å; M73-H156 HydrophobicContact CG-CB 3.93Å; M73-H156 PolarHBondContact N-O 3.36Å; M73-H156 PolarHBondContact O-N 2.83Å; L75-H156 HydrophobicContact CD1-CB 4.28Å; F94-H156 CarbonylContact O-C 3.57Å; F94-H156 VanDerWaalsContact O-CA 3.24Å; F94-H156 WeakPolarHBondContact O-CA 3.35Å; L95-H156 WeakPolarHBondContact CD1-CE1 3.36Å; L95-H156 VanDerWaalsContact CG-CE1 3.46Å; L95-H156 WeakPolarHBondContact CG-CE1 3.41Å; L95-H156 WeakPolarHBondContact CG-NE2 3.25Å; S154-H156 PolarHBondContact OG-CD2 3.17Å; S154-H156 VanDerWaalsContact OG-CD2 3.24Å; S154-H156 PolarHBondContact OG-NE2 3.31Å; H156-Y158 HydrophobicContact CB-CD2 4.41Å; H156-Y158 HydrophobicContact CB-CE2 3.74Å; H156-Y158 AromaticContact ND1-CZ 3.78Å; H156-Y158 PolarHBondContact ND1-OH 3.21Å; H156-Y158 VanDerWaalsContact ND1-OH 3.1Å
157	L	98.8	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.8	168.2	-173	153.3	0	0	0	109.1	L19 F23 M37 F70 N71 L72 C93 F94	L19-L157 HydrophobicContact CD1-CD1 3.82Å; L19-L157 HydrophobicContact CD2-CD1 3.73Å; L19-L157 HydrophobicContact CG-CD1 4.23Å; F23-L157 HydrophobicContact CE1-CD2 4.28Å; F23-L157 HydrophobicContact CE2-CD1 3.72Å; F23-L157 HydrophobicContact CE2-CD2 3.82Å; F23-L157 HydrophobicContact CE2-CG 4.44Å; F23-L157 HydrophobicContact CZ-CD1 4.24Å; F23-L157 HydrophobicContact CZ-CD2 3.46Å; F23-L157 VanDerWaalsContact CZ-CD2 3.46Å; M37-L157 HydrophobicContact CE-CB 4.13Å; M37-L157 HydrophobicContact SD-CB 4.1Å; M37-L157 HydrophobicContact SD-CD1 4.45Å; F70-L157 HydrophobicContact CB-CD2 4.02Å; F70-L157 HydrophobicContact CB-CG 4.21Å; F70-L157 HydrophobicContact CD2-CD1 3.89Å; F70-L157 HydrophobicContact CD2-CG 4Å; F70-L157 HydrophobicContact CE2-CD1 4.35Å; F70-L157 HydrophobicContact CG-CD1 4.32Å; F70-L157 HydrophobicContact CG-CG 4.37Å; N71-L157 WeakPolarHBondContact O-CA 3.26Å; L72-L157 HydrophobicContact CD1-CB 3.96Å; L72-L157 HydrophobicContact CD1-CD1 4.27Å; L72-L157 HydrophobicContact CD1-CG 4.44Å; C93-L157 WeakPolarHBondContact CA-O 3.36Å; F94-L157 HydrophobicContact CB-CB 4.22Å; F94-L157 HydrophobicContact CD2-CB 4.25Å; F94-L157 HydrophobicContact CD2-CD2 3.64Å; F94-L157 HydrophobicContact CE2-CD2 3.97Å; F94-L157 PolarHBondContact N-O 3.19Å; F94-L157 PolarHBondContact O-N 3.33Å
158	Y	98.4	Very high	97.1	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.3	175.1	-63	-70.5	0	0	0	110.8	F70 N71 M73 H88 H92 C93 H156 F162	F70-Y158 CarbonylContact C-O 3.5Å; F70-Y158 WeakPolarHBondContact CA-O 3.49Å; F70-Y158 WeakPolarHBondContact CB-O 3.5Å; N71-Y158 PolarHBondContact N-O 2.92Å; N71-Y158 PolarHBondContact O-N 3.41Å; M73-Y158 HydrophobicContact CE-CD2 3.67Å; M73-Y158 HydrophobicContact CE-CE2 4.01Å; M73-Y158 HydrophobicContact CG-CE2 4.38Å; M73-Y158 HydrophobicContact SD-CD2 4.08Å; M73-Y158 HydrophobicContact SD-CE2 3.78Å; H88-Y158 AromaticContact CD2-CE1 3.73Å; H92-Y158 VanDerWaalsContact O-CA 3.26Å; H92-Y158 WeakPolarHBondContact O-CA 3.41Å; C93-Y158 HydrophobicContact CB-CD1 3.81Å; C93-Y158 HydrophobicContact CB-CE1 3.63Å; C93-Y158 WeakPolarHBondContact SG-CE1 3.09Å; H156-Y158 HydrophobicContact CB-CD2 4.41Å; H156-Y158 HydrophobicContact CB-CE2 3.74Å; H156-Y158 AromaticContact ND1-CZ 3.78Å; H156-Y158 PolarHBondContact ND1-OH 3.21Å; H156-Y158 VanDerWaalsContact ND1-OH 3.1Å; Y158-F162 AromaticContact CD1-CE1 3.48Å; Y158-F162 HydrophobicContact CD1-CE1 3.48Å; Y158-F162 VanDerWaalsContact CD1-CE1 3.48Å; Y158-F162 AromaticContact CD1-CZ 3.87Å; Y158-F162 HydrophobicContact CD1-CZ 3.87Å; Y158-F162 HydrophobicContact CD2-CE1 4.44Å; Y158-F162 HydrophobicContact CE1-CE1 4.07Å; Y158-F162 AromaticContact CE1-CZ 3.99Å; Y158-F162 HydrophobicContact CE1-CZ 3.99Å; Y158-F162 AromaticContact CG-CE1 3.67Å; Y158-F162 HydrophobicContact CG-CE1 3.67Å; Y158-F162 HydrophobicContact CG-CZ 4.15Å
159	S	97.9	Very high	97	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	123.9	177.8	-176.5	0	0	0	0	112	F23 I28 K69 S91 H92	F23-S159 VanDerWaalsContact CE1-CB 3.43Å; F23-S159 VanDerWaalsContact CE1-OG 3.27Å; F23-S159 WeakPolarHBondContact CE1-OG 3.41Å; I28-S159 WeakPolarHBondContact CD1-OG 3.32Å; K69-S159 WeakPolarHBondContact O-CA 3.31Å; K69-S159 VanDerWaalsContact O-CB 3.31Å; K69-S159 WeakPolarHBondContact O-CB 3.14Å; K69-S159 PolarHBondContact O-OG 2.63Å; S91-S159 CarbonylContact C-O 3.11Å; S91-S159 WeakPolarHBondContact CA-O 3.32Å; H92-S159 WeakPolarHBondContact CB-O 3.29Å; H92-S159 PolarHBondContact CD2-O 3.39Å; H92-S159 PolarHBondContact N-O 2.88Å; H92-S159 PolarHBondContact O-N 2.71Å
160	P	97.4	Very high	96.9	Very high	71 Å²	71	34.4 Å²	34.4	46%	0.461	18%	0.182	S	C	.	.	S	Bend	cis	-62.3	166.2	-8.4	27.3	-34.3	0	0	0	112.7	S91	S91-P160 WeakPolarHBondContact CB-O 3.27Å; S91-P160 PolarHBondContact OG-O 2.58Å; S91-P160 VanDerWaalsContact OG-O 3.05Å
161	P	95.9	Very high	96.6	Very high	46 Å²	46	37.6 Å²	37.6	30%	0.299	19%	0.189	S	C	.	.			trans	-65	144.9	170.4	-18.2	32.5	0	0	0	111.1	N71	N71-P161 HydrophobicContact CB-CB 4.44Å
162	F	94.9	Very high	96.3	Very high	32 Å²	32	39 Å²	39	14%	0.14	20%	0.197	C	C	.	.			trans	-135.9	153.8	174.5	62	-93.3	0	0	0	111.7	T89 Y158 T164 C165 M180	T89-F162 HydrophobicContact CG2-CB 4.42Å; Y158-F162 AromaticContact CD1-CE1 3.48Å; Y158-F162 HydrophobicContact CD1-CE1 3.48Å; Y158-F162 VanDerWaalsContact CD1-CE1 3.48Å; Y158-F162 AromaticContact CD1-CZ 3.87Å; Y158-F162 HydrophobicContact CD1-CZ 3.87Å; Y158-F162 HydrophobicContact CD2-CE1 4.44Å; Y158-F162 HydrophobicContact CE1-CE1 4.07Å; Y158-F162 AromaticContact CE1-CZ 3.99Å; Y158-F162 HydrophobicContact CE1-CZ 3.99Å; Y158-F162 AromaticContact CG-CE1 3.67Å; Y158-F162 HydrophobicContact CG-CE1 3.67Å; Y158-F162 HydrophobicContact CG-CZ 4.15Å; F162-T164 VanDerWaalsContact CD2-O 3.3Å; F162-T164 WeakPolarHBondContact CD2-O 3.39Å; F162-C165 HydrophobicContact CE2-CB 4.12Å; F162-M180 HydrophobicContact CE2-CG 4.16Å
163	E	92.9	Very high	96	Very high	136 Å²	136	39.5 Å²	39.5	64%	0.636	20%	0.202	S	C	*	.	S	Bend	trans	-105	-15.2	179.4	-64	-166.4	175.7	0	0	113.7	M180	E163-M180 PolarHBondContact O-N 2.89Å
164	T	94.9	Very high	95.7	Very high	59 Å²	59	45.1 Å²	45.1	36%	0.362	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.3	-176.4	58	0	0	0	0	110	T89 F162 V178	T89-T164 PolarHBondContact OG1-O 2.71Å; F162-T164 VanDerWaalsContact CD2-O 3.3Å; F162-T164 WeakPolarHBondContact CD2-O 3.39Å; T164-V178 CarbonylContact C-O 3.58Å; T164-V178 WeakPolarHBondContact CA-O 3.34Å
165	C	95.3	Very high	95.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.007	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	170	167.5	75	0	0	0	0	110.1	D87 T89 F162 V178 M180 N199	D87-C165 WeakPolarHBondContact OD1-CB 3.47Å; T89-C165 WeakPolarHBondContact OG1-CA 3.41Å; F162-C165 HydrophobicContact CE2-CB 4.12Å; C165-V178 PolarHBondContact N-O 2.94Å; C165-V178 PolarHBondContact O-N 2.8Å; C165-M180 VanDerWaalsContact SG-CE 3.51Å; C165-N199 PolarHBondContact SG-ND2 3.36Å
166	Q	96.8	Very high	95.2	Very high	31 Å²	31	54.4 Å²	54.4	15%	0.145	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.6	167.4	-54.8	-67.9	-68.9	0	0	109.7	H86 D87 F168 K175 N176 T177	H86-Q166 WeakPolarHBondContact CA-O 3.41Å; H86-Q166 VanDerWaalsContact CB-O 3.25Å; H86-Q166 WeakPolarHBondContact CB-O 3.38Å; D87-Q166 PolarHBondContact N-O 2.86Å; D87-Q166 VanDerWaalsContact N-O 3.15Å; D87-Q166 PolarHBondContact OD1-N 3.18Å; D87-Q166 VanDerWaalsContact OD2-CB 3.28Å; D87-Q166 WeakPolarHBondContact OD2-CB 3.12Å; D87-Q166 WeakPolarHBondContact OD2-CG 3.35Å; Q166-F168 HydrophobicContact CB-CD2 4.5Å; Q166-F168 HydrophobicContact CB-CE2 3.65Å; Q166-F168 HydrophobicContact CB-CZ 3.82Å; Q166-K175 HydrophobicContact CB-CB 4.46Å; Q166-K175 HydrophobicContact CG-CD 4.23Å; Q166-K175 VanDerWaalsContact OE1-CD 3.26Å; Q166-N176 CarbonylContact C-O 3.55Å; Q166-N176 VanDerWaalsContact CA-O 3.31Å; Q166-N176 WeakPolarHBondContact CA-O 3.4Å; Q166-T177 PolarHBondContact NE2-OG1 2.92Å
167	T	96.6	Very high	95.1	Very high	13 Å²	13	58 Å²	58	8%	0.08	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	149.1	164.5	62.3	0	0	0	0	109.8	I85 H86 K175 N176 V178 N199	I85-T167 CarbonylContact O-C 3.54Å; I85-T167 VanDerWaalsContact O-CA 3.26Å; I85-T167 WeakPolarHBondContact O-CA 3.12Å; H86-T167 HydrophobicContact CB-CG2 4.35Å; T167-K175 CarbonylContact O-C 3.56Å; T167-K175 WeakPolarHBondContact O-CA 3.48Å; T167-N176 PolarHBondContact N-O 2.87Å; T167-N176 PolarHBondContact O-N 3.44Å; T167-V178 HydrophobicContact CG2-CB 4.26Å; T167-V178 HydrophobicContact CG2-CG2 3.61Å; T167-V178 WeakPolarHBondContact OG1-CG2 3.49Å; T167-N199 HydrophobicContact CG2-CB 4.02Å; T167-N199 WeakPolarHBondContact CG2-OD1 3.41Å
168	F	95.8	Very high	94.8	Very high	10 Å²	10	58.5 Å²	58.5	4%	0.044	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.2	-173	-61.1	-100.8	0	0	0	110.7	I85 D87 W109 P110 M118 L140 Q166 Q170 H174 K175	I85-F168 HydrophobicContact CB-CB 4.21Å; I85-F168 HydrophobicContact CG2-CB 4.21Å; I85-F168 PolarHBondContact O-N 3.37Å; D87-F168 HydrophobicContact CB-CE2 4.21Å; W109-F168 HydrophobicContact CE3-CE1 4.41Å; W109-F168 HydrophobicContact CE3-CZ 4.1Å; W109-F168 HydrophobicContact CH2-CZ 4.34Å; W109-F168 HydrophobicContact CZ3-CE1 4.29Å; W109-F168 HydrophobicContact CZ3-CE2 4.49Å; W109-F168 AromaticContact CZ3-CZ 3.61Å; W109-F168 HydrophobicContact CZ3-CZ 3.61Å; P110-F168 HydrophobicContact CG-CD1 3.94Å; P110-F168 HydrophobicContact CG-CE1 3.93Å; M118-F168 HydrophobicContact CE-CB 3.97Å; M118-F168 HydrophobicContact CE-CD1 4.35Å; M118-F168 HydrophobicContact CE-CG 4.2Å; M118-F168 HydrophobicContact SD-CB 3.52Å; M118-F168 VanDerWaalsContact SD-CB 3.52Å; M118-F168 HydrophobicContact SD-CG 4.37Å; L140-F168 HydrophobicContact CD1-CD1 4.07Å; L140-F168 HydrophobicContact CD1-CD2 3.77Å; L140-F168 HydrophobicContact CD1-CE1 4.01Å; L140-F168 HydrophobicContact CD1-CE2 3.73Å; L140-F168 HydrophobicContact CD1-CG 3.96Å; L140-F168 HydrophobicContact CD1-CZ 3.86Å; L140-F168 HydrophobicContact CD2-CD2 4.25Å; L140-F168 HydrophobicContact CD2-CE2 3.62Å; L140-F168 HydrophobicContact CD2-CZ 4.02Å; L140-F168 HydrophobicContact CG-CE2 4.31Å; Q166-F168 HydrophobicContact CB-CD2 4.5Å; Q166-F168 HydrophobicContact CB-CE2 3.65Å; Q166-F168 HydrophobicContact CB-CZ 3.82Å; F168-Q170 PolarHBondContact O-N 2.9Å; F168-H174 WeakPolarHBondContact CA-O 3.43Å; F168-K175 HydrophobicContact CD1-CB 3.7Å; F168-K175 HydrophobicContact CE1-CB 3.6Å; F168-K175 HydrophobicContact CE1-CD 3.97Å; F168-K175 HydrophobicContact CE1-CG 4.41Å; F168-K175 HydrophobicContact CG-CB 4.33Å; F168-K175 HydrophobicContact CZ-CB 4.14Å; F168-K175 HydrophobicContact CZ-CD 4.26Å
169	D	94.3	Very high	94.5	Very high	72 Å²	72	63 Å²	63	39%	0.385	32%	0.317	S	S	.	.			trans	-70.1	120.8	167.6	174.3	-86.2	0	0	0	109.3	R171 T172 G173 H174	D169-R171 PolarHBondContact O-N 3.49Å; D169-R171 WeakPolarHBondContact OD1-CA 3.19Å; D169-R171 WeakPolarHBondContact OD1-CB 3.45Å; D169-R171 PolarHBondContact OD1-N 2.83Å; D169-T172 WeakPolarHBondContact CB-OG1 3.49Å; D169-T172 VanDerWaalsContact CG-OG1 3.3Å; D169-T172 PolarHBondContact O-N 2.87Å; D169-T172 WeakPolarHBondContact OD1-CB 3.27Å; D169-T172 WeakPolarHBondContact OD1-CG2 3.42Å; D169-T172 PolarHBondContact OD1-N 2.78Å; D169-T172 PolarHBondContact OD1-OG1 2.85Å; D169-G173 WeakPolarHBondContact O-CA 3.45Å; D169-G173 PolarHBondContact O-N 3.34Å; D169-H174 PolarHBondContact N-O 3Å
170	Q	94.5	Very high	94.1	Very high	76 Å²	76	63.8 Å²	63.8	36%	0.355	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.8	-174.8	-175.3	173.7	-17.1	0	0	113	I85 D117 M118 R142 F168	I85-Q170 HydrophobicContact CD1-CB 3.66Å; I85-Q170 HydrophobicContact CD1-CG 3.79Å; D117-Q170 CarbonylContact C-O 3.47Å; D117-Q170 WeakPolarHBondContact CA-O 3.46Å; M118-Q170 HydrophobicContact CB-CG 4.43Å; M118-Q170 PolarHBondContact N-O 3.17Å; R142-Q170 VanDerWaalsContact NH2-OE1 3.08Å; F168-Q170 PolarHBondContact O-N 2.9Å
171	R	92.6	Very high	93.8	Very high	188 Å²	188	62 Å²	62	71%	0.709	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-24.2	-173.7	-63.8	-178.2	65.7	173.8	-0.4	113.7	G116 D117 D169	G116-R171 CarbonylContact C-O 3.59Å; G116-R171 CarbonylContact O-C 3.53Å; G116-R171 VanDerWaalsContact O-O 3.13Å; D117-R171 PolarHBondContact N-O 2.89Å; D117-R171 VanDerWaalsContact OD1-CA 3.29Å; D117-R171 WeakPolarHBondContact OD1-CA 3.32Å; D169-R171 PolarHBondContact O-N 3.49Å; D169-R171 WeakPolarHBondContact OD1-CA 3.19Å; D169-R171 WeakPolarHBondContact OD1-CB 3.45Å; D169-R171 PolarHBondContact OD1-N 2.83Å
172	T	91.4	Very high	93.8	Very high	72 Å²	72	62 Å²	62	44%	0.442	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-17.8	-170.1	62	0	0	0	0	113	D169 H174	D169-T172 WeakPolarHBondContact CB-OG1 3.49Å; D169-T172 VanDerWaalsContact CG-OG1 3.3Å; D169-T172 PolarHBondContact O-N 2.87Å; D169-T172 WeakPolarHBondContact OD1-CB 3.27Å; D169-T172 WeakPolarHBondContact OD1-CG2 3.42Å; D169-T172 PolarHBondContact OD1-N 2.78Å; D169-T172 PolarHBondContact OD1-OG1 2.85Å; T172-H174 PolarHBondContact O-N 2.89Å; T172-H174 WeakPolarHBondContact OG1-CB 3.29Å; T172-H174 PolarHBondContact OG1-N 3.17Å
173	G	92.4	Very high	93.9	Very high	10 Å²	10	62.6 Å²	62.6	10%	0.103	31%	0.305	C	S	.	.			trans	66.9	6.6	-168.8	0	0	0	0	0	113.3	D169 K175	D169-G173 WeakPolarHBondContact O-CA 3.45Å; D169-G173 PolarHBondContact O-N 3.34Å; G173-K175 PolarHBondContact O-N 3.05Å
174	H	92.5	Very high	94.1	Very high	117 Å²	117	56.1 Å²	56.1	54%	0.542	28%	0.275	S	S	.	.			trans	-64.4	136.5	177.1	-172.5	74.1	0	0	0	109.7	F168 D169 T172	F168-H174 WeakPolarHBondContact CA-O 3.43Å; D169-H174 PolarHBondContact N-O 3Å; T172-H174 PolarHBondContact O-N 2.89Å; T172-H174 WeakPolarHBondContact OG1-CB 3.29Å; T172-H174 PolarHBondContact OG1-N 3.17Å
175	K	93.4	Very high	94.3	Very high	109 Å²	109	56.6 Å²	56.6	47%	0.474	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.1	-175.6	71.9	-178.7	-169.5	166.9	0	112.8	Q166 T167 F168 G173	Q166-K175 HydrophobicContact CB-CB 4.46Å; Q166-K175 HydrophobicContact CG-CD 4.23Å; Q166-K175 VanDerWaalsContact OE1-CD 3.26Å; T167-K175 CarbonylContact O-C 3.56Å; T167-K175 WeakPolarHBondContact O-CA 3.48Å; F168-K175 HydrophobicContact CD1-CB 3.7Å; F168-K175 HydrophobicContact CE1-CB 3.6Å; F168-K175 HydrophobicContact CE1-CD 3.97Å; F168-K175 HydrophobicContact CE1-CG 4.41Å; F168-K175 HydrophobicContact CG-CB 4.33Å; F168-K175 HydrophobicContact CZ-CB 4.14Å; F168-K175 HydrophobicContact CZ-CD 4.26Å; G173-K175 PolarHBondContact O-N 3.05Å
176	N	94.4	Very high	94.4	Very high	86 Å²	86	62 Å²	62	46%	0.46	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.3	173	-69.3	-61.2	0	0	0	109.6	Q166 T167	Q166-N176 CarbonylContact C-O 3.55Å; Q166-N176 VanDerWaalsContact CA-O 3.31Å; Q166-N176 WeakPolarHBondContact CA-O 3.4Å; T167-N176 PolarHBondContact N-O 2.87Å; T167-N176 PolarHBondContact O-N 3.44Å
177	T	95.7	Very high	94.4	Very high	79 Å²	79	60.8 Å²	60.8	49%	0.485	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.5	170.8	-53.9	0	0	0	0	108.6	Q166	Q166-T177 PolarHBondContact NE2-OG1 2.92Å
178	V	92.5	Very high	94.5	Very high	11 Å²	11	67.1 Å²	67.1	7%	0.067	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.5	-178	-169.9	0	0	0	0	109.3	T164 C165 T167 M180 Q197 E198 N199	T164-V178 CarbonylContact C-O 3.58Å; T164-V178 WeakPolarHBondContact CA-O 3.34Å; C165-V178 PolarHBondContact N-O 2.94Å; C165-V178 PolarHBondContact O-N 2.8Å; T167-V178 HydrophobicContact CG2-CB 4.26Å; T167-V178 HydrophobicContact CG2-CG2 3.61Å; T167-V178 WeakPolarHBondContact OG1-CG2 3.49Å; V178-M180 HydrophobicContact CB-CE 3.75Å; V178-M180 HydrophobicContact CG1-CE 3.67Å; V178-M180 VanDerWaalsContact O-CE 3.31Å; V178-M180 WeakPolarHBondContact O-CE 3.42Å; V178-Q197 WeakPolarHBondContact CG1-O 3.38Å; V178-E198 VanDerWaalsContact CG1-C 3.45Å; V178-N199 HydrophobicContact CB-CB 4.29Å; V178-N199 HydrophobicContact CG1-CB 3.82Å; V178-N199 VanDerWaalsContact CG1-N 3.29Å
179	K	93	Very high	94.5	Very high	99 Å²	99	71.3 Å²	71.3	43%	0.43	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.2	173.9	-172.7	172.1	-174.9	169.9	0	109.3
180	M	88.9	Confident	94.5	Very high	22 Å²	22	69.5 Å²	69.5	11%	0.108	32%	0.324	C	S	.	.			trans	-78.1	132.6	174.2	-61.1	-52.7	92	0	0	108.9	F162 E163 C165 V178 N199	F162-M180 HydrophobicContact CE2-CG 4.16Å; E163-M180 PolarHBondContact O-N 2.89Å; C165-M180 VanDerWaalsContact SG-CE 3.51Å; V178-M180 HydrophobicContact CB-CE 3.75Å; V178-M180 HydrophobicContact CG1-CE 3.67Å; V178-M180 VanDerWaalsContact O-CE 3.31Å; V178-M180 WeakPolarHBondContact O-CE 3.42Å; M180-N199 HydrophobicContact CE-CB 3.35Å; M180-N199 HydrophobicContact SD-CB 3.8Å
181	T	91.5	Very high	94.1	Very high	32 Å²	32	71.2 Å²	71.2	20%	0.196	34%	0.342	C	S	.	.			trans	-118	153.5	175.1	61.2	0	0	0	0	109.7	E198	T181-E198 WeakPolarHBondContact CB-OE1 3.34Å; T181-E198 HydrophobicContact CG2-CG 4.07Å; T181-E198 WeakPolarHBondContact CG2-OE1 3.29Å; T181-E198 PolarHBondContact OG1-OE1 3.05Å
182	F	95.5	Very high	93	Very high	46 Å²	46	70.7 Å²	70.7	20%	0.202	34%	0.341	C	S	.	.			trans	-97.9	127.9	171.8	-67.1	-61.4	0	0	0	109.5	R60 L62 M73 K185 T190	R60-F182 HydrophobicContact CB-CD1 4.29Å; R60-F182 CarbonylContact O-C 3.48Å; R60-F182 WeakPolarHBondContact O-CA 3.45Å; L62-F182 HydrophobicContact CB-CD1 3.8Å; L62-F182 HydrophobicContact CB-CD2 4.44Å; L62-F182 HydrophobicContact CB-CE1 3.93Å; L62-F182 HydrophobicContact CB-CG 4.06Å; L62-F182 HydrophobicContact CB-CZ 4.3Å; L62-F182 HydrophobicContact CD1-CE1 3.98Å; L62-F182 HydrophobicContact CD1-CE2 4.36Å; L62-F182 HydrophobicContact CD1-CZ 3.79Å; L62-F182 HydrophobicContact CD2-CD2 4.24Å; L62-F182 HydrophobicContact CD2-CE2 4.04Å; L62-F182 HydrophobicContact CD2-CZ 4.29Å; L62-F182 HydrophobicContact CG-CE1 4.44Å; L62-F182 HydrophobicContact CG-CZ 4.37Å; M73-F182 HydrophobicContact CE-CE1 3.57Å; M73-F182 HydrophobicContact CE-CZ 3.89Å; M73-F182 HydrophobicContact SD-CE1 3.83Å; F182-K185 HydrophobicContact CB-CG 4.11Å; F182-K185 VanDerWaalsContact CD2-CE 3.45Å; F182-K185 HydrophobicContact CD2-CG 4.45Å; F182-K185 HydrophobicContact CG-CG 4.43Å; F182-T190 HydrophobicContact CB-CG2 4.29Å; F182-T190 WeakPolarHBondContact O-CB 3.14Å; F182-T190 WeakPolarHBondContact O-CG2 3.07Å; F182-T190 PolarHBondContact O-OG1 3.22Å
183	W	96.3	Very high	91.4	Very high	46 Å²	46	71.5 Å²	71.5	17%	0.174	35%	0.346	C	S	.	.	S	Bend	trans	-71.1	-40.4	169.9	-177	-101	0	0	0	110.9	D54 T59 R60 R189 T190	D54-W183 HydrophobicContact CB-CH2 4.03Å; D54-W183 HydrophobicContact CB-CZ2 4.09Å; D54-W183 HydrophobicContact CB-CZ3 4.34Å; D54-W183 WeakPolarHBondContact OD2-CH2 3.06Å; T59-W183 HydrophobicContact CG2-CB 4.11Å; T59-W183 HydrophobicContact CG2-CD2 3.71Å; T59-W183 HydrophobicContact CG2-CE3 4.2Å; T59-W183 HydrophobicContact CG2-CG 3.64Å; R60-W183 PolarHBondContact O-N 2.77Å; W183-R189 VanDerWaalsContact CH2-NH2 3.26Å; W183-R189 VanDerWaalsContact CZ2-NE 3.29Å; W183-R189 VanDerWaalsContact O-CD 3.25Å; W183-R189 WeakPolarHBondContact O-CD 3.44Å; W183-R189 PolarHBondContact O-NH1 2.94Å; W183-T190 PolarHBondContact O-N 3.13Å; W183-T190 PolarHBondContact O-OG1 3.33Å; W183-T190 VanDerWaalsContact O-OG1 3.06Å
184	S	98.1	Very high	89.3	Confident	0 Å²	0	77 Å²	77	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.1	170.2	68.9	0	0	0	0	110.7	N61 L62 E188	N61-S184 CarbonylContact C-O 3.45Å; N61-S184 WeakPolarHBondContact CA-O 3.48Å; N61-S184 VanDerWaalsContact CB-OG 3.24Å; N61-S184 WeakPolarHBondContact CB-OG 3.46Å; N61-S184 VanDerWaalsContact CG-OG 3.3Å; N61-S184 PolarHBondContact OD1-OG 3.01Å; L62-S184 PolarHBondContact N-O 3.15Å; S184-E188 CarbonylContact C-O 3.54Å; S184-E188 WeakPolarHBondContact CA-O 3.45Å; S184-E188 WeakPolarHBondContact CB-O 3.46Å
185	K	98.2	Very high	87.3	Confident	68 Å²	68	74.9 Å²	74.9	30%	0.296	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.4	168.6	-67.6	-164.3	165.8	-153.3	0	108.8	L62 E65 F182 G187 E188 T190	L62-K185 HydrophobicContact CB-CB 4.38Å; L62-K185 HydrophobicContact CB-CG 4.01Å; L62-K185 HydrophobicContact CD2-CB 4.35Å; L62-K185 HydrophobicContact CD2-CD 3.69Å; L62-K185 HydrophobicContact CD2-CG 3.76Å; E65-K185 IonicContact OE1-NZ 3.76Å; E65-K185 PolarHBondContact OE1-NZ 3.37Å; F182-K185 HydrophobicContact CB-CG 4.11Å; F182-K185 VanDerWaalsContact CD2-CE 3.45Å; F182-K185 HydrophobicContact CD2-CG 4.45Å; F182-K185 HydrophobicContact CG-CG 4.43Å; K185-G187 PolarHBondContact O-N 2.9Å; K185-G187 VanDerWaalsContact O-N 3.12Å; K185-E188 PolarHBondContact N-O 2.77Å; K185-E188 PolarHBondContact O-N 2.9Å; K185-T190 HydrophobicContact CB-CG2 4.49Å; K185-T190 HydrophobicContact CG-CG2 3.91Å
186	Y	98	Very high	85.1	Confident	116 Å²	116	75.5 Å²	75.5	46%	0.455	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	28.4	176.3	-40	-65.7	0	0	0	114.2	L62 V63 E65	L62-Y186 PolarHBondContact O-N 3.05Å; V63-Y186 WeakPolarHBondContact O-CD1 3.22Å; E65-Y186 VanDerWaalsContact CG-OH 3.27Å; E65-Y186 WeakPolarHBondContact CG-OH 3.3Å; E65-Y186 PolarHBondContact OE1-OH 2.9Å; E65-Y186 PolarHBondContact OE2-OH 3.21Å
187	G	97.3	Very high	83	Confident	5 Å²	5	77.5 Å²	77.5	5%	0.052	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-5.4	-177.8	0	0	0	0	0	114.8	K49 K52 K185	K49-G187 WeakPolarHBondContact O-CA 3.44Å; K52-G187 WeakPolarHBondContact CE-O 3.41Å; K52-G187 PolarHBondContact NZ-O 2.84Å; K185-G187 PolarHBondContact O-N 2.9Å; K185-G187 VanDerWaalsContact O-N 3.12Å
188	E	97.8	Very high	81.1	Confident	146 Å²	146	76 Å²	76	68%	0.682	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.9	-179.6	-62.6	-57.7	149.3	0	0	111.7	S184 K185 T190	S184-E188 CarbonylContact C-O 3.54Å; S184-E188 WeakPolarHBondContact CA-O 3.45Å; S184-E188 WeakPolarHBondContact CB-O 3.46Å; K185-E188 PolarHBondContact N-O 2.77Å; K185-E188 PolarHBondContact O-N 2.9Å; E188-T190 PolarHBondContact O-N 2.87Å
189	R	95.9	Very high	78.8	Confident	98 Å²	98	75.8 Å²	75.8	37%	0.37	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	129	-178.2	-175.8	71.2	-175.4	81.6	6.1	109.8	W183	W183-R189 VanDerWaalsContact CH2-NH2 3.26Å; W183-R189 VanDerWaalsContact CZ2-NE 3.29Å; W183-R189 VanDerWaalsContact O-CD 3.25Å; W183-R189 WeakPolarHBondContact O-CD 3.44Å; W183-R189 PolarHBondContact O-NH1 2.94Å
190	T	93.8	Very high	76.7	Confident	33 Å²	33	75.1 Å²	75.1	20%	0.202	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-69.1	146.5	172.7	56.7	0	0	0	0	110.6	F182 W183 K185 E188 Y192	F182-T190 HydrophobicContact CB-CG2 4.29Å; F182-T190 WeakPolarHBondContact O-CB 3.14Å; F182-T190 WeakPolarHBondContact O-CG2 3.07Å; F182-T190 PolarHBondContact O-OG1 3.22Å; W183-T190 PolarHBondContact O-N 3.13Å; W183-T190 PolarHBondContact O-OG1 3.33Å; W183-T190 VanDerWaalsContact O-OG1 3.06Å; K185-T190 HydrophobicContact CB-CG2 4.49Å; K185-T190 HydrophobicContact CG-CG2 3.91Å; E188-T190 PolarHBondContact O-N 2.87Å; T190-Y192 PolarHBondContact O-N 2.77Å
191	P	87.5	Confident	76.1	Confident	112 Å²	112	77.8 Å²	77.8	73%	0.727	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-54.5	141.7	175.3	-25.1	34.1	0	0	0	111.5	T193	P191-T193 PolarHBondContact O-N 2.83Å
192	Y	68	Low	75.3	Confident	178 Å²	178	80.2 Å²	80.2	70%	0.698	41%	0.406	S	S	*	.			trans	-67.2	106.3	176.7	-166.6	-90.9	0	0	0	109.7	T190 T194	T190-Y192 PolarHBondContact O-N 2.77Å; Y192-T194 HydrophobicContact CD1-CG2 4.41Å; Y192-T194 HydrophobicContact CE1-CG2 3.77Å
193	T	59.6	Low	74.2	Confident	89 Å²	89	82.1 Å²	82.1	55%	0.546	42%	0.417	S	S	.	.			trans	-104.3	121.6	167	43.8	0	0	0	0	108.6	P191 I195	P191-T193 PolarHBondContact O-N 2.83Å; T193-I195 VanDerWaalsContact C-N 3.29Å; T193-I195 PolarHBondContact O-N 3.02Å
194	T	47.3	Very low	72.9	Confident	126 Å²	126	84.2 Å²	84.2	77%	0.773	43%	0.431	S	S	*	.			trans	-64.7	83.2	173.4	28.8	0	0	0	0	110.3	Y192	Y192-T194 HydrophobicContact CD1-CG2 4.41Å; Y192-T194 HydrophobicContact CE1-CG2 3.77Å
195	I	50.4	Low	71.3	Confident	71 Å²	71	89.5 Å²	89.5	36%	0.364	46%	0.458	S	S	.	.			trans	-113.5	113.5	171.2	-56.3	178.6	0	0	0	107.5	T193 Q197	T193-I195 VanDerWaalsContact C-N 3.29Å; T193-I195 PolarHBondContact O-N 3.02Å; I195-Q197 VanDerWaalsContact C-N 3.25Å; I195-Q197 PolarHBondContact O-N 2.89Å
196	S	47.4	Very low	69.5	Low	122 Å²	122	90.9 Å²	90.9	85%	0.853	47%	0.469	S	S	*	.	S	Bend	trans	-82.2	12.5	-168.2	59.7	0	0	0	0	115
197	Q	50.2	Low	67.5	Low	128 Å²	128	89.1 Å²	89.1	60%	0.598	47%	0.47	S	S	*	.			trans	-139.9	77.1	-175.7	-67.7	-177.6	-9.5	0	0	108.9	V178 I195	V178-Q197 WeakPolarHBondContact CG1-O 3.38Å; I195-Q197 VanDerWaalsContact C-N 3.25Å; I195-Q197 PolarHBondContact O-N 2.89Å
198	E	55.3	Low	65.2	Low	48 Å²	48	95.6 Å²	95.6	22%	0.224	50%	0.502	C	S	.	.			trans	-106.5	148.5	171	-68	-178.6	163.3	0	0	108.9	R57 V178 T181 N200	R57-E198 IonicContact CZ-OE2 3.62Å; R57-E198 IonicContact NE-OE2 2.8Å; R57-E198 IonicContact NH1-OE2 3.86Å; R57-E198 PolarHBondContact NH1-OE2 3.36Å; R57-E198 IonicContact NH2-OE2 2.79Å; R57-E198 PolarHBondContact NH2-OE2 3.33Å; V178-E198 VanDerWaalsContact CG1-C 3.45Å; T181-E198 WeakPolarHBondContact CB-OE1 3.34Å; T181-E198 HydrophobicContact CG2-CG 4.07Å; T181-E198 WeakPolarHBondContact CG2-OE1 3.29Å; T181-E198 PolarHBondContact OG1-OE1 3.05Å; E198-N200 PolarHBondContact O-N 3.29Å
199	N	45.8	Very low	62.5	Low	7 Å²	7	91.4 Å²	91.4	4%	0.037	49%	0.487	C	S	.	.			trans	-78	88.4	-174.8	176.8	8.7	0	0	0	108.4	Y58 S84 C165 T167 V178 M180	Y58-N199 VanDerWaalsContact CE1-O 3.24Å; Y58-N199 WeakPolarHBondContact CE1-O 3Å; Y58-N199 VanDerWaalsContact CZ-O 3.23Å; Y58-N199 PolarHBondContact OH-O 3.01Å; S84-N199 WeakPolarHBondContact CB-OD1 3.21Å; C165-N199 PolarHBondContact SG-ND2 3.36Å; T167-N199 HydrophobicContact CG2-CB 4.02Å; T167-N199 WeakPolarHBondContact CG2-OD1 3.41Å; V178-N199 HydrophobicContact CB-CB 4.29Å; V178-N199 HydrophobicContact CG1-CB 3.82Å; V178-N199 VanDerWaalsContact CG1-N 3.29Å; M180-N199 HydrophobicContact CE-CB 3.35Å; M180-N199 HydrophobicContact SD-CB 3.8Å
200	N	48.5	Very low	59.4	Low	85 Å²	85	90.8 Å²	90.8	46%	0.455	50%	0.498	S	S	.	.			trans	-95.6	0	167.1	-76	-0.9	0	0	0	109.5	R57 S83 S84 E198	R57-N200 WeakPolarHBondContact CD-ND2 3.36Å; R57-N200 WeakPolarHBondContact CD-OD1 3.39Å; S83-N200 WeakPolarHBondContact CA-OXT 3.43Å; S84-N200 WeakPolarHBondContact CB-O 3.37Å; S84-N200 PolarHBondContact N-OXT 3.44Å; S84-N200 PolarHBondContact OG-O 2.86Å; E198-N200 PolarHBondContact O-N 3.29Å

Retrieved 200 of 200 residues in 372.5 ms (Link to these results)

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