A0A087XKB5_POEFO Loading...

Nucleoside diphosphate kinase

Major role in the synthesis of nucleoside triphosphates other than ATP.

AlphaFold DB , UniProt , Accession A0A087XKB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 168 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.8	Very low	45.6	Very low	199 Å²	199	118.6 Å²	118.6	98%	0.98	62%	0.623	S	S	*	*				0	-27.8	0	-79.3	-178.8	70.9	0	0	114.2	L4	M1-L4 PolarHBondContact O-N 3.3Å
2	I	47.1	Very low	45.9	Very low	142 Å²	142	116.7 Å²	116.7	73%	0.728	62%	0.619	S	S	*	*	H	α-helix	trans	-71.7	-35.7	178.7	-66.8	163.5	0	0	0	113	L4 F5	I2-L4 PolarHBondContact O-N 3.24Å; I2-F5 PolarHBondContact O-N 3.15Å
3	C	42.9	Very low	46	Very low	112 Å²	112	115.8 Å²	115.8	76%	0.757	61%	0.607	S	S	*	*	H	α-helix	trans	-65.8	-20.9	175.8	-72.6	0	0	0	0	114.7
4	L	43.5	Very low	46.1	Very low	124 Å²	124	115.1 Å²	115.1	65%	0.649	60%	0.599	S	S	*	*	H	α-helix	trans	-81.3	-27.7	179.2	-131.4	86.4	0	0	0	112.2	M1 I2 S7 I8	M1-L4 PolarHBondContact O-N 3.3Å; I2-L4 PolarHBondContact O-N 3.24Å; L4-S7 PolarHBondContact O-OG 3.06Å; L4-S7 VanDerWaalsContact O-OG 3.08Å; L4-I8 WeakPolarHBondContact O-CD1 3.11Å; L4-I8 WeakPolarHBondContact O-CG1 3.34Å; L4-I8 PolarHBondContact O-N 2.93Å
5	F	44.3	Very low	46.5	Very low	142 Å²	142	113.2 Å²	113.2	62%	0.623	60%	0.6	S	S	*	*	H	α-helix	trans	-78.2	-32.3	178.8	-90.5	-86.1	0	0	0	112.7	I2 F9	I2-F5 PolarHBondContact O-N 3.15Å; F5-F9 PolarHBondContact O-N 3.2Å
6	L	44.3	Very low	47.7	Very low	124 Å²	124	108.6 Å²	108.6	65%	0.649	59%	0.587	S	S	*	*	H	α-helix	trans	-70.9	-33	174.6	-77.1	163.3	0	0	0	112.5	A10	L6-A10 PolarHBondContact O-N 3.04Å; L6-A10 VanDerWaalsContact O-N 3.12Å
7	S	47.3	Very low	49.7	Very low	52 Å²	52	104.1 Å²	104.1	36%	0.364	56%	0.56	S	S	.	*	H	α-helix	trans	-71.5	-35.3	177.7	72	0	0	0	0	112.6	L4 A10 H11	L4-S7 PolarHBondContact O-OG 3.06Å; L4-S7 VanDerWaalsContact O-OG 3.08Å; S7-A10 PolarHBondContact O-N 2.86Å; S7-H11 PolarHBondContact O-N 2.59Å; S7-H11 PolarHBondContact O-ND1 2.81Å
8	I	45.9	Very low	51.9	Low	92 Å²	92	103.3 Å²	103.3	47%	0.472	56%	0.559	S	S	.	*	H	α-helix	trans	-66.2	-41.9	176.4	-65.9	167.1	0	0	0	110.7	L4 H11 V12	L4-I8 WeakPolarHBondContact O-CD1 3.11Å; L4-I8 WeakPolarHBondContact O-CG1 3.34Å; L4-I8 PolarHBondContact O-N 2.93Å; I8-H11 PolarHBondContact O-N 3.48Å; I8-V12 VanDerWaalsContact O-CG2 3.28Å; I8-V12 WeakPolarHBondContact O-CG2 3.45Å; I8-V12 PolarHBondContact O-N 2.84Å
9	F	48.7	Very low	54.1	Low	142 Å²	142	99.8 Å²	99.8	62%	0.623	55%	0.55	S	S	*	.	H	α-helix	trans	-65.1	-40	174.5	-102.2	-90.5	0	0	0	112.4	F5 H11 V12 F13	F5-F9 PolarHBondContact O-N 3.2Å; F9-H11 VanDerWaalsContact C-N 3.35Å; F9-H11 PolarHBondContact O-N 3.18Å; F9-V12 PolarHBondContact O-N 2.79Å; F9-F13 HydrophobicContact CD1-CE2 4.38Å; F9-F13 WeakPolarHBondContact O-CD2 3.37Å; F9-F13 PolarHBondContact O-N 3.29Å
10	A	46.7	Very low	56.2	Low	54 Å²	54	97.8 Å²	97.8	45%	0.446	54%	0.541	S	S	.	.	H	α-helix	trans	-63.8	-37.7	175.5	0	0	0	0	0	112.8	L6 S7 F13 Q14	L6-A10 PolarHBondContact O-N 3.04Å; L6-A10 VanDerWaalsContact O-N 3.12Å; S7-A10 PolarHBondContact O-N 2.86Å; A10-F13 PolarHBondContact O-N 3.21Å; A10-Q14 PolarHBondContact O-N 2.91Å; A10-Q14 VanDerWaalsContact O-N 3.1Å
11	H	42.5	Very low	58.1	Low	122 Å²	122	96.8 Å²	96.8	57%	0.565	53%	0.534	S	S	*	.	H	α-helix	trans	-74.3	-30.7	178.3	-78	52.8	0	0	0	113.2	S7 I8 F9 F13 Q14 S15	S7-H11 PolarHBondContact O-N 2.59Å; S7-H11 PolarHBondContact O-ND1 2.81Å; I8-H11 PolarHBondContact O-N 3.48Å; F9-H11 VanDerWaalsContact C-N 3.35Å; F9-H11 PolarHBondContact O-N 3.18Å; H11-F13 VanDerWaalsContact C-N 3.31Å; H11-Q14 PolarHBondContact O-N 3.41Å; H11-S15 PolarHBondContact O-N 3.25Å
12	V	48.4	Very low	60.4	Low	95 Å²	95	88.3 Å²	88.3	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-70.7	-27.8	173.6	172.7	0	0	0	0	111.8	I8 F9 S15	I8-V12 VanDerWaalsContact O-CG2 3.28Å; I8-V12 WeakPolarHBondContact O-CG2 3.45Å; I8-V12 PolarHBondContact O-N 2.84Å; F9-V12 PolarHBondContact O-N 2.79Å; V12-S15 PolarHBondContact O-OG 2.71Å; V12-S15 VanDerWaalsContact O-OG 3.05Å
13	F	47.8	Very low	62.9	Low	105 Å²	105	82.4 Å²	82.4	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-80.3	-31.5	172.4	-90.2	-89.8	0	0	0	113.2	F9 A10 H11 S15	F9-F13 HydrophobicContact CD1-CE2 4.38Å; F9-F13 WeakPolarHBondContact O-CD2 3.37Å; F9-F13 PolarHBondContact O-N 3.29Å; A10-F13 PolarHBondContact O-N 3.21Å; H11-F13 VanDerWaalsContact C-N 3.31Å; F13-S15 VanDerWaalsContact C-N 3.26Å; F13-S15 PolarHBondContact O-N 3.27Å
14	Q	46.7	Very low	65.5	Low	107 Å²	107	77 Å²	77	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-65.3	-25.6	175	-86	-178.1	-34.1	0	0	113.6	A10 H11 G16	A10-Q14 PolarHBondContact O-N 2.91Å; A10-Q14 VanDerWaalsContact O-N 3.1Å; H11-Q14 PolarHBondContact O-N 3.41Å; Q14-G16 VanDerWaalsContact C-N 3.35Å; Q14-G16 PolarHBondContact O-N 2.89Å
15	S	52.4	Low	68.2	Low	86 Å²	86	71.1 Å²	71.1	60%	0.601	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-7.6	-172	64.5	0	0	0	0	115.2	H11 V12 F13	H11-S15 PolarHBondContact O-N 3.25Å; V12-S15 PolarHBondContact O-OG 2.71Å; V12-S15 VanDerWaalsContact O-OG 3.05Å; F13-S15 VanDerWaalsContact C-N 3.26Å; F13-S15 PolarHBondContact O-N 3.27Å
16	G	65.6	Low	70.8	Confident	39 Å²	39	64.4 Å²	64.4	40%	0.402	36%	0.364	S	S	.	.	S	Bend	trans	-93.7	-26.6	-171.9	0	0	0	0	0	116.4	Q14 N21	Q14-G16 VanDerWaalsContact C-N 3.35Å; Q14-G16 PolarHBondContact O-N 2.89Å; G16-N21 WeakPolarHBondContact O-CB 3.26Å
17	W	82.6	Confident	73.4	Confident	33 Å²	33	58.5 Å²	58.5	13%	0.125	33%	0.333	C	S	.	.	S	Bend	trans	-118.7	58.9	-169.3	-58	-14.1	0	0	0	112.5	N21 E22 R23 Q144 I147 L156	W17-N21 VanDerWaalsContact CA-O 3.3Å; W17-N21 WeakPolarHBondContact CA-O 3.13Å; W17-E22 WeakPolarHBondContact O-CA 3.35Å; W17-R23 HydrophobicContact CD2-CB 4.02Å; W17-R23 HydrophobicContact CD2-CG 4.11Å; W17-R23 HydrophobicContact CE3-CB 3.96Å; W17-R23 HydrophobicContact CG-CB 4.33Å; W17-R23 HydrophobicContact CG-CG 4.09Å; W17-R23 HydrophobicContact CZ3-CB 4.45Å; W17-Q144 HydrophobicContact CE3-CG 3.8Å; W17-Q144 HydrophobicContact CZ3-CB 4.38Å; W17-Q144 HydrophobicContact CZ3-CG 3.88Å; W17-I147 HydrophobicContact CE3-CD1 4.11Å; W17-I147 HydrophobicContact CH2-CB 3.77Å; W17-I147 HydrophobicContact CH2-CD1 3.82Å; W17-I147 HydrophobicContact CH2-CG1 4.38Å; W17-I147 HydrophobicContact CH2-CG2 3.47Å; W17-I147 VanDerWaalsContact CH2-CG2 3.47Å; W17-I147 HydrophobicContact CZ2-CG2 4.26Å; W17-I147 HydrophobicContact CZ3-CB 3.97Å; W17-I147 HydrophobicContact CZ3-CD1 3.4Å; W17-I147 HydrophobicContact CZ3-CG1 4.24Å; W17-I147 HydrophobicContact CZ3-CG2 4.16Å; W17-L156 HydrophobicContact CZ2-CD1 4.1Å
18	T	88.8	Confident	75.8	Confident	89 Å²	89	56 Å²	56	55%	0.546	32%	0.316	S	S	.	.	S	Bend	trans	-120.4	156.8	177	60.1	0	0	0	0	110.8	V20 N21	T18-V20 PolarHBondContact O-N 3.41Å; T18-N21 WeakPolarHBondContact O-CB 3.15Å; T18-N21 PolarHBondContact O-N 3.31Å
19	G	93.8	Very high	78.3	Confident	37 Å²	37	52.4 Å²	52.4	38%	0.381	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	55.1	-131	-178.7	0	0	0	0	0	111.8	N21 E22	G19-N21 PolarHBondContact O-N 2.93Å; G19-N21 VanDerWaalsContact O-N 3.08Å; G19-E22 WeakPolarHBondContact O-CB 3.29Å; G19-E22 PolarHBondContact O-N 3.18Å
20	V	95.5	Very high	80.7	Confident	60 Å²	60	45.8 Å²	45.8	36%	0.364	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-63.9	-12.3	178.3	-58.5	0	0	0	0	114.3	T18 G97 L98 Y168	T18-V20 PolarHBondContact O-N 3.41Å; V20-G97 WeakPolarHBondContact O-CA 3.32Å; V20-L98 HydrophobicContact CG1-CB 4.34Å; V20-Y168 HydrophobicContact CB-CD2 4.49Å; V20-Y168 HydrophobicContact CB-CE1 4.48Å; V20-Y168 HydrophobicContact CB-CE2 4.26Å; V20-Y168 HydrophobicContact CG1-CD1 3.72Å; V20-Y168 HydrophobicContact CG1-CD2 4.1Å; V20-Y168 HydrophobicContact CG1-CE1 3.83Å; V20-Y168 HydrophobicContact CG1-CE2 4.2Å; V20-Y168 HydrophobicContact CG1-CG 3.85Å
21	N	95.6	Very high	83.2	Confident	76 Å²	76	44 Å²	44	41%	0.406	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-97.5	-0.1	176.2	-65.6	-51.1	0	0	0	113.3	G16 W17 T18 G19 Q96	G16-N21 WeakPolarHBondContact O-CB 3.26Å; W17-N21 VanDerWaalsContact CA-O 3.3Å; W17-N21 WeakPolarHBondContact CA-O 3.13Å; T18-N21 WeakPolarHBondContact O-CB 3.15Å; T18-N21 PolarHBondContact O-N 3.31Å; G19-N21 PolarHBondContact O-N 2.93Å; G19-N21 VanDerWaalsContact O-N 3.08Å; N21-Q96 PolarHBondContact OD1-NE2 3.12Å; N21-Q96 VanDerWaalsContact OD1-NE2 3.07Å
22	E	98.3	Very high	85.9	Confident	21 Å²	21	38.2 Å²	38.2	10%	0.098	22%	0.224	C	C	.	.			trans	-53	143.6	172.3	-176.4	-176.4	108	0	0	110.5	W17 G19 Q96 G97 D99 V100 V101 V140	W17-E22 WeakPolarHBondContact O-CA 3.35Å; G19-E22 WeakPolarHBondContact O-CB 3.29Å; G19-E22 PolarHBondContact O-N 3.18Å; E22-Q96 CarbonylContact O-C 3.58Å; E22-Q96 VanDerWaalsContact O-CA 3.24Å; E22-Q96 WeakPolarHBondContact O-CA 3.4Å; E22-Q96 WeakPolarHBondContact O-CG 3.46Å; E22-G97 WeakPolarHBondContact CB-O 3.4Å; E22-G97 PolarHBondContact O-N 3.19Å; E22-D99 WeakPolarHBondContact OE1-CA 3.32Å; E22-V100 HydrophobicContact CB-CG1 4.28Å; E22-V100 HydrophobicContact CG-CG1 4.02Å; E22-V100 VanDerWaalsContact O-CG1 3.3Å; E22-V100 WeakPolarHBondContact O-CG1 3.45Å; E22-V100 PolarHBondContact OE1-N 2.87Å; E22-V101 HydrophobicContact CG-CG2 4.17Å; E22-V101 WeakPolarHBondContact OE1-CB 3.31Å; E22-V101 WeakPolarHBondContact OE1-CG2 3.4Å; E22-V101 PolarHBondContact OE1-N 3.49Å; E22-V140 HydrophobicContact CG-CG2 4.47Å
23	R	98.6	Very high	88.3	Confident	18 Å²	18	35 Å²	35	7%	0.068	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.8	180	-63.8	-177.2	-177.3	179.7	-9.2	111.5	W17 V94 W95 Q96 V101 A143 I147	W17-R23 HydrophobicContact CD2-CB 4.02Å; W17-R23 HydrophobicContact CD2-CG 4.11Å; W17-R23 HydrophobicContact CE3-CB 3.96Å; W17-R23 HydrophobicContact CG-CB 4.33Å; W17-R23 HydrophobicContact CG-CG 4.09Å; W17-R23 HydrophobicContact CZ3-CB 4.45Å; R23-V94 HydrophobicContact CB-CG1 4.03Å; R23-V94 HydrophobicContact CG-CG1 4.37Å; R23-W95 CarbonylContact C-O 3.59Å; R23-W95 WeakPolarHBondContact CA-O 3.44Å; R23-Q96 HydrophobicContact CG-CB 3.96Å; R23-Q96 HydrophobicContact CG-CG 3.87Å; R23-V101 WeakPolarHBondContact O-CG2 3.31Å; R23-A143 WeakPolarHBondContact O-CB 3.18Å; R23-I147 HydrophobicContact CB-CD1 3.71Å
24	T	98.8	Very high	90.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.7	172.7	-166.8	0	0	0	0	110.8	I26 V94 W95 V100 A104	T24-I26 HydrophobicContact CG2-CD1 4.01Å; T24-I26 HydrophobicContact CG2-CG1 4.02Å; T24-V94 WeakPolarHBondContact O-CA 3.28Å; T24-W95 HydrophobicContact CG2-CB 4.2Å; T24-W95 PolarHBondContact N-O 3.13Å; T24-W95 PolarHBondContact O-N 3.3Å; T24-W95 VanDerWaalsContact O-N 3.1Å; T24-V100 HydrophobicContact CG2-CB 4.48Å; T24-V100 HydrophobicContact CG2-CG1 4.14Å; T24-V100 HydrophobicContact CG2-CG2 3.76Å; T24-A104 HydrophobicContact CG2-CB 4.03Å
25	F	98.9	Very high	93.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.3	169.8	171.7	-99.5	0	0	0	109.7	A27 A92 H135 G136 S137 E146 I147 W150 F151	F25-A27 HydrophobicContact CE1-CB 3.76Å; F25-A27 HydrophobicContact CZ-CB 3.73Å; F25-A92 HydrophobicContact CE2-CB 3.93Å; F25-A92 HydrophobicContact CZ-CB 4.33Å; F25-H135 AromaticContact CD1-CD2 3.64Å; F25-H135 AromaticContact CE1-CD2 3.64Å; F25-G136 VanDerWaalsContact O-CA 3.32Å; F25-G136 WeakPolarHBondContact O-CA 3.45Å; F25-S137 WeakPolarHBondContact CB-OG 3.35Å; F25-S137 PolarHBondContact N-OG 2.82Å; F25-S137 VanDerWaalsContact N-OG 3.13Å; F25-S137 PolarHBondContact O-N 3.08Å; F25-S137 VanDerWaalsContact O-N 3.12Å; F25-S137 PolarHBondContact O-OG 3.31Å; F25-E146 HydrophobicContact CB-CB 3.79Å; F25-E146 HydrophobicContact CD1-CB 3.93Å; F25-E146 HydrophobicContact CD1-CG 4.42Å; F25-E146 VanDerWaalsContact CD1-OE2 3.29Å; F25-E146 WeakPolarHBondContact CD1-OE2 3.31Å; F25-E146 HydrophobicContact CG-CB 3.92Å; F25-I147 HydrophobicContact CB-CG1 3.88Å; F25-W150 HydrophobicContact CD2-CB 4.19Å; F25-W150 HydrophobicContact CD2-CG 4.25Å; F25-W150 HydrophobicContact CE1-CD2 4.32Å; F25-W150 HydrophobicContact CE1-CG 4.39Å; F25-W150 AromaticContact CE1-NE1 3.98Å; F25-W150 HydrophobicContact CE2-CB 3.58Å; F25-W150 AromaticContact CE2-CD1 3.89Å; F25-W150 AromaticContact CE2-CD2 3.66Å; F25-W150 HydrophobicContact CE2-CD2 3.66Å; F25-W150 HydrophobicContact CE2-CE3 4.1Å; F25-W150 AromaticContact CE2-CG 3.42Å; F25-W150 HydrophobicContact CE2-CG 3.42Å; F25-W150 VanDerWaalsContact CE2-CG 3.42Å; F25-W150 HydrophobicContact CZ-CB 4.2Å; F25-W150 AromaticContact CZ-CD1 3.73Å; F25-W150 AromaticContact CZ-CD2 3.34Å; F25-W150 HydrophobicContact CZ-CD2 3.34Å; F25-W150 AromaticContact CZ-CE2 3.51Å; F25-W150 AromaticContact CZ-CE3 3.81Å; F25-W150 HydrophobicContact CZ-CE3 3.81Å; F25-W150 AromaticContact CZ-CG 3.51Å; F25-W150 HydrophobicContact CZ-CG 3.51Å; F25-W150 HydrophobicContact CZ-CZ2 4.12Å; F25-W150 HydrophobicContact CZ-CZ3 4.37Å; F25-W150 AromaticContact CZ-NE1 3.71Å; F25-F151 HydrophobicContact CD2-CE2 4.07Å; F25-F151 AromaticContact CE2-CE2 3.99Å; F25-F151 HydrophobicContact CE2-CE2 3.99Å
26	I	98.9	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	136	175.1	-56.8	-64	0	0	0	108.3	T24 F45 M93 A104 L108 I134 H135	T24-I26 HydrophobicContact CG2-CD1 4.01Å; T24-I26 HydrophobicContact CG2-CG1 4.02Å; I26-F45 HydrophobicContact CD1-CE1 4.02Å; I26-F45 HydrophobicContact CD1-CZ 3.73Å; I26-F45 HydrophobicContact CG1-CE1 3.89Å; I26-F45 HydrophobicContact CG1-CZ 3.8Å; I26-F45 HydrophobicContact CG2-CE2 4.39Å; I26-F45 HydrophobicContact CG2-CZ 4.27Å; I26-M93 HydrophobicContact CB-CB 4.45Å; I26-M93 HydrophobicContact CB-CE 4.12Å; I26-M93 HydrophobicContact CG2-CE 3.62Å; I26-M93 PolarHBondContact N-O 3.27Å; I26-M93 PolarHBondContact O-N 2.83Å; I26-A104 HydrophobicContact CD1-CB 3.9Å; I26-L108 HydrophobicContact CD1-CD1 4.24Å; I26-I134 HydrophobicContact CG2-CD1 3.74Å; I26-I134 HydrophobicContact CG2-CG1 3.91Å; I26-H135 WeakPolarHBondContact CA-O 3.44Å
27	A	98.9	Very high	97	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.5	175.1	0	0	0	0	0	110.7	F25 K29 V90 V91 I134 H135	F25-A27 HydrophobicContact CE1-CB 3.76Å; F25-A27 HydrophobicContact CZ-CB 3.73Å; A27-K29 PolarHBondContact O-N 2.91Å; A27-V90 HydrophobicContact CB-CG1 3.86Å; A27-V91 CarbonylContact C-O 3.56Å; A27-V91 WeakPolarHBondContact CA-O 3.49Å; A27-I134 CarbonylContact O-C 3.58Å; A27-I134 WeakPolarHBondContact O-CA 3.41Å; A27-H135 HydrophobicContact CB-CB 4.12Å; A27-H135 PolarHBondContact N-O 2.94Å; A27-H135 PolarHBondContact O-N 3.36Å
28	V	98.9	Very high	97.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	115.1	165.1	-173.2	0	0	0	0	107.6	V33 V38 I41 V90 V91 M93	V28-V33 HydrophobicContact CB-CG2 4.42Å; V28-V33 HydrophobicContact CG1-CG2 4.08Å; V28-V38 HydrophobicContact CG1-CG2 4.23Å; V28-I41 HydrophobicContact CB-CD1 4.37Å; V28-I41 HydrophobicContact CG1-CD1 3.79Å; V28-I41 HydrophobicContact CG2-CB 4.32Å; V28-I41 HydrophobicContact CG2-CD1 3.74Å; V28-I41 HydrophobicContact CG2-CG2 3.99Å; V28-V90 VanDerWaalsContact O-CA 3.3Å; V28-V90 WeakPolarHBondContact O-CA 3.5Å; V28-V90 VanDerWaalsContact O-CG1 3.31Å; V28-V90 WeakPolarHBondContact O-CG1 3.5Å; V28-V91 HydrophobicContact CB-CB 4.07Å; V28-V91 HydrophobicContact CG2-CB 4.27Å; V28-V91 PolarHBondContact N-O 3.02Å; V28-V91 PolarHBondContact O-N 3.28Å; V28-M93 HydrophobicContact CG2-CE 3.78Å
29	K	98.9	Very high	98.2	Very high	16 Å²	16	39.6 Å²	39.6	7%	0.07	21%	0.212	C	C	.	.			trans	-70.6	168.8	-175.9	-62.3	-174.5	177.1	-177	0	111.3	A27 D31 G32 V33 Y84 M85 N132 V133	A27-K29 PolarHBondContact O-N 2.91Å; K29-D31 VanDerWaalsContact C-N 3.29Å; K29-D31 VanDerWaalsContact CB-OD1 3.23Å; K29-D31 WeakPolarHBondContact CB-OD1 3.44Å; K29-D31 PolarHBondContact O-N 2.91Å; K29-G32 WeakPolarHBondContact O-CA 3.4Å; K29-G32 PolarHBondContact O-N 3.44Å; K29-V33 PolarHBondContact O-N 2.92Å; K29-V33 VanDerWaalsContact O-N 3.09Å; K29-Y84 HydrophobicContact CD-CE1 4.05Å; K29-M85 HydrophobicContact CB-SD 3.99Å; K29-M85 HydrophobicContact CD-SD 3.8Å; K29-M85 HydrophobicContact CG-CE 4.14Å; K29-M85 HydrophobicContact CG-SD 3.65Å; K29-N132 PolarHBondContact NZ-OD1 3.13Å; K29-V133 WeakPolarHBondContact CB-O 3.5Å; K29-V133 PolarHBondContact N-O 3.25Å
30	P	98.9	Very high	98.5	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-55.6	-40.3	-175.6	-29.6	39	0	0	0	114.2	G32 V33 Q34 P89 V90	P30-G32 PolarHBondContact O-N 3.15Å; P30-V33 PolarHBondContact O-N 2.92Å; P30-Q34 WeakPolarHBondContact O-CB 3.47Å; P30-Q34 WeakPolarHBondContact O-CG 3.44Å; P30-Q34 PolarHBondContact O-N 2.92Å; P30-P89 WeakPolarHBondContact CA-O 3.44Å; P30-V90 HydrophobicContact CG-CG2 3.98Å
31	D	98.8	Very high	98.6	Very high	16 Å²	16	37.3 Å²	37.3	9%	0.086	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-40.9	174.7	64	-26.1	0	0	0	112.8	K29 Q34 R35 Y84 R131 V133	K29-D31 VanDerWaalsContact C-N 3.29Å; K29-D31 VanDerWaalsContact CB-OD1 3.23Å; K29-D31 WeakPolarHBondContact CB-OD1 3.44Å; K29-D31 PolarHBondContact O-N 2.91Å; D31-Q34 PolarHBondContact O-N 3.26Å; D31-R35 VanDerWaalsContact O-CB 3.24Å; D31-R35 WeakPolarHBondContact O-CB 3.37Å; D31-R35 WeakPolarHBondContact O-CD 3.29Å; D31-R35 WeakPolarHBondContact O-CG 3.26Å; D31-R35 PolarHBondContact O-N 2.93Å; D31-Y84 HydrophobicContact CB-CE2 4.48Å; D31-Y84 PolarHBondContact OD1-OH 3.49Å; D31-Y84 PolarHBondContact OD2-OH 2.89Å; D31-R131 VanDerWaalsContact OD2-CA 3.26Å; D31-R131 WeakPolarHBondContact OD2-CA 3.39Å; D31-V133 VanDerWaalsContact OD1-CA 3.29Å; D31-V133 WeakPolarHBondContact OD1-CA 3.41Å; D31-V133 WeakPolarHBondContact OD2-CA 3.12Å; D31-V133 PolarHBondContact OD2-N 2.81Å
32	G	98.9	Very high	98.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-40.5	175.7	0	0	0	0	0	113	K29 P30 K36 L37	K29-G32 WeakPolarHBondContact O-CA 3.4Å; K29-G32 PolarHBondContact O-N 3.44Å; P30-G32 PolarHBondContact O-N 3.15Å; G32-K36 PolarHBondContact O-N 3.08Å; G32-L37 WeakPolarHBondContact O-CB 3.36Å; G32-L37 PolarHBondContact O-N 2.74Å
33	V	98.8	Very high	98.8	Very high	28 Å²	28	37.7 Å²	37.7	17%	0.17	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-49.2	175.7	-178.8	0	0	0	0	110.8	V28 K29 P30 R35 K36 V38 L57 P89 V91	V28-V33 HydrophobicContact CB-CG2 4.42Å; V28-V33 HydrophobicContact CG1-CG2 4.08Å; K29-V33 PolarHBondContact O-N 2.92Å; K29-V33 VanDerWaalsContact O-N 3.09Å; P30-V33 PolarHBondContact O-N 2.92Å; V33-R35 PolarHBondContact O-N 3.07Å; V33-K36 PolarHBondContact O-N 2.98Å; V33-V38 HydrophobicContact CB-CG2 4.47Å; V33-V38 HydrophobicContact CG2-CG2 4.03Å; V33-L57 HydrophobicContact CG1-CD1 4.39Å; V33-P89 HydrophobicContact CB-CG 4.48Å; V33-P89 HydrophobicContact CG1-CG 3.88Å; V33-P89 WeakPolarHBondContact CG2-O 3.22Å; V33-V91 HydrophobicContact CG2-CG2 4Å
34	Q	98.8	Very high	98.9	Very high	139 Å²	139	38.9 Å²	38.9	65%	0.65	19%	0.189	S	C	*	.	H	α-helix	trans	-61.2	-32.2	179.9	-68	-68.1	8.6	0	0	112.6	P30 D31 K36	P30-Q34 WeakPolarHBondContact O-CB 3.47Å; P30-Q34 WeakPolarHBondContact O-CG 3.44Å; P30-Q34 PolarHBondContact O-N 2.92Å; D31-Q34 PolarHBondContact O-N 3.26Å; Q34-K36 VanDerWaalsContact C-N 3.26Å; Q34-K36 PolarHBondContact O-N 3.47Å
35	R	98.8	Very high	98.9	Very high	119 Å²	119	38.9 Å²	38.9	45%	0.449	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	8	176.6	-66.3	171.9	63.4	-154.6	-2.2	113.9	D31 V33 L37 F125 V133	D31-R35 VanDerWaalsContact O-CB 3.24Å; D31-R35 WeakPolarHBondContact O-CB 3.37Å; D31-R35 WeakPolarHBondContact O-CD 3.29Å; D31-R35 WeakPolarHBondContact O-CG 3.26Å; D31-R35 PolarHBondContact O-N 2.93Å; V33-R35 PolarHBondContact O-N 3.07Å; R35-L37 HydrophobicContact CB-CD1 4.12Å; R35-L37 HydrophobicContact CB-CG 4.02Å; R35-L37 PolarHBondContact O-N 3.1Å; R35-F125 PolarHBondContact NH1-O 3.48Å; R35-F125 PolarHBondContact NH2-O 2.99Å; R35-V133 VanDerWaalsContact NH1-CG2 3.29Å
36	K	98.7	Very high	98.8	Very high	188 Å²	188	44.1 Å²	44.1	82%	0.817	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	32.1	177.5	-51.5	177.6	-177.9	177.6	0	113.3	G32 V33 Q34	G32-K36 PolarHBondContact O-N 3.08Å; V33-K36 PolarHBondContact O-N 2.98Å; Q34-K36 VanDerWaalsContact C-N 3.26Å; Q34-K36 PolarHBondContact O-N 3.47Å
37	L	98.9	Very high	98.8	Very high	19 Å²	19	51.6 Å²	51.6	10%	0.099	25%	0.246	C	C	.	.			trans	-88.5	-3	-177.7	-63.2	176.3	0	0	0	113.9	G32 R35 G39 E40 I41 F125 V133	G32-L37 WeakPolarHBondContact O-CB 3.36Å; G32-L37 PolarHBondContact O-N 2.74Å; R35-L37 HydrophobicContact CB-CD1 4.12Å; R35-L37 HydrophobicContact CB-CG 4.02Å; R35-L37 PolarHBondContact O-N 3.1Å; L37-G39 PolarHBondContact O-N 3.4Å; L37-E40 PolarHBondContact O-N 3.15Å; L37-I41 HydrophobicContact CB-CD1 4.09Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 3.25Å; L37-F125 HydrophobicContact CD1-CB 3.9Å; L37-F125 HydrophobicContact CD1-CG 4.21Å; L37-F125 HydrophobicContact CD2-CD1 4.15Å; L37-F125 HydrophobicContact CD2-CE1 4.43Å; L37-F125 HydrophobicContact CD2-CG 4.28Å; L37-V133 HydrophobicContact CD1-CG1 3.87Å; L37-V133 HydrophobicContact CD1-CG2 3.88Å
38	V	98.9	Very high	98.8	Very high	39 Å²	39	58.4 Å²	58.4	24%	0.236	27%	0.272	C	S	.	.	H	α-helix	trans	-55.1	-52.4	-177.3	177.9	0	0	0	0	111.6	V28 V33 E40 I41 V42 V91	V28-V38 HydrophobicContact CG1-CG2 4.23Å; V33-V38 HydrophobicContact CB-CG2 4.47Å; V33-V38 HydrophobicContact CG2-CG2 4.03Å; V38-E40 VanDerWaalsContact C-N 3.33Å; V38-E40 PolarHBondContact O-N 3.32Å; V38-I41 PolarHBondContact O-N 2.83Å; V38-V42 HydrophobicContact CG1-CG2 4.37Å; V38-V42 WeakPolarHBondContact O-CB 3.34Å; V38-V42 VanDerWaalsContact O-CG2 3.31Å; V38-V42 WeakPolarHBondContact O-CG2 3.24Å; V38-V42 PolarHBondContact O-N 3.38Å; V38-V91 HydrophobicContact CG1-CB 4.43Å; V38-V91 HydrophobicContact CG1-CG1 4.26Å; V38-V91 HydrophobicContact CG1-CG2 3.96Å; V38-V91 HydrophobicContact CG2-CG2 3.74Å
39	G	98.8	Very high	98.7	Very high	52 Å²	52	59.2 Å²	59.2	54%	0.536	28%	0.28	S	S	.	.	H	α-helix	trans	-62.5	-40	-178.9	0	0	0	0	0	112.6	L37 R43	L37-G39 PolarHBondContact O-N 3.4Å; G39-R43 WeakPolarHBondContact O-CB 3.25Å; G39-R43 PolarHBondContact O-N 2.91Å
40	E	98.8	Very high	98.7	Very high	48 Å²	48	59.4 Å²	59.4	22%	0.224	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-41.6	178	174.3	54.1	-156.8	0	0	112.1	L37 V38 R43 R44 F125	L37-E40 PolarHBondContact O-N 3.15Å; V38-E40 VanDerWaalsContact C-N 3.33Å; V38-E40 PolarHBondContact O-N 3.32Å; E40-R43 IonicContact OE1-CZ 3.21Å; E40-R43 IonicContact OE1-NE 2.79Å; E40-R43 IonicContact OE1-NH2 2.84Å; E40-R43 PolarHBondContact OE1-NH2 2.93Å; E40-R43 IonicContact OE2-CZ 3.19Å; E40-R43 IonicContact OE2-NE 2.99Å; E40-R43 PolarHBondContact OE2-NE 3.13Å; E40-R43 IonicContact OE2-NH2 2.71Å; E40-R43 PolarHBondContact OE2-NH2 2.95Å; E40-R44 WeakPolarHBondContact O-CG 3.47Å; E40-R44 PolarHBondContact O-N 2.87Å; E40-R44 VanDerWaalsContact O-N 3.13Å; E40-R44 IonicContact OE1-CZ 3.64Å; E40-R44 IonicContact OE1-NE 3.94Å; E40-R44 PolarHBondContact OE1-NE 3.32Å; E40-R44 IonicContact OE1-NH2 2.71Å; E40-R44 PolarHBondContact OE1-NH2 3.09Å; E40-F125 HydrophobicContact CG-CE1 4.42Å; E40-F125 HydrophobicContact CG-CE2 3.62Å; E40-F125 HydrophobicContact CG-CZ 3.41Å; E40-F125 VanDerWaalsContact CG-CZ 3.41Å
41	I	98.9	Very high	98.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-51.9	176.1	-71	164	0	0	0	110.2	V28 L37 V38 R43 R44 F45 M93 I121 V133 I134	V28-I41 HydrophobicContact CB-CD1 4.37Å; V28-I41 HydrophobicContact CG1-CD1 3.79Å; V28-I41 HydrophobicContact CG2-CB 4.32Å; V28-I41 HydrophobicContact CG2-CD1 3.74Å; V28-I41 HydrophobicContact CG2-CG2 3.99Å; L37-I41 HydrophobicContact CB-CD1 4.09Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 3.25Å; V38-I41 PolarHBondContact O-N 2.83Å; I41-R43 VanDerWaalsContact C-N 3.29Å; I41-R43 PolarHBondContact O-N 3.38Å; I41-R44 PolarHBondContact O-N 3.34Å; I41-R44 VanDerWaalsContact O-N 3.08Å; I41-F45 HydrophobicContact CG2-CD2 4.35Å; I41-F45 HydrophobicContact CG2-CE2 4.25Å; I41-F45 WeakPolarHBondContact O-CD2 3.42Å; I41-F45 PolarHBondContact O-N 3.43Å; I41-M93 HydrophobicContact CG2-CE 4.27Å; I41-I121 HydrophobicContact CD1-CG2 4.4Å; I41-I121 HydrophobicContact CG1-CD1 4.48Å; I41-I121 HydrophobicContact CG1-CG2 4.09Å; I41-I121 HydrophobicContact CG2-CD1 4.35Å; I41-V133 HydrophobicContact CD1-CG1 3.66Å; I41-I134 HydrophobicContact CD1-CD1 4.2Å; I41-I134 HydrophobicContact CG1-CD1 4.35Å; I41-I134 HydrophobicContact CG2-CD1 3.52Å
42	V	98.9	Very high	98.7	Very high	18 Å²	18	62 Å²	62	11%	0.109	29%	0.293	C	S	.	.	H	α-helix	trans	-54.7	-49.1	177.8	170.1	0	0	0	0	110.1	V38 R44 F45 E46 L55 M93 W95	V38-V42 HydrophobicContact CG1-CG2 4.37Å; V38-V42 WeakPolarHBondContact O-CB 3.34Å; V38-V42 VanDerWaalsContact O-CG2 3.31Å; V38-V42 WeakPolarHBondContact O-CG2 3.24Å; V38-V42 PolarHBondContact O-N 3.38Å; V42-R44 VanDerWaalsContact C-N 3.25Å; V42-R44 PolarHBondContact O-N 2.92Å; V42-F45 PolarHBondContact O-N 3.29Å; V42-E46 HydrophobicContact CG1-CG 4.02Å; V42-E46 WeakPolarHBondContact O-CG 3.38Å; V42-E46 PolarHBondContact O-N 2.95Å; V42-L55 HydrophobicContact CG2-CD1 4.42Å; V42-M93 HydrophobicContact CG2-SD 3.67Å; V42-W95 HydrophobicContact CG1-CH2 4.16Å; V42-W95 HydrophobicContact CG1-CZ2 4.19Å
43	R	98.9	Very high	98.7	Very high	87 Å²	87	62.1 Å²	62.1	33%	0.328	29%	0.293	S	S	.	.	H	α-helix	trans	-54.8	-37.6	178.2	-173.6	-167.6	68.6	72	-11.7	112.8	G39 E40 I41 K47	G39-R43 WeakPolarHBondContact O-CB 3.25Å; G39-R43 PolarHBondContact O-N 2.91Å; E40-R43 IonicContact OE1-CZ 3.21Å; E40-R43 IonicContact OE1-NE 2.79Å; E40-R43 IonicContact OE1-NH2 2.84Å; E40-R43 PolarHBondContact OE1-NH2 2.93Å; E40-R43 IonicContact OE2-CZ 3.19Å; E40-R43 IonicContact OE2-NE 2.99Å; E40-R43 PolarHBondContact OE2-NE 3.13Å; E40-R43 IonicContact OE2-NH2 2.71Å; E40-R43 PolarHBondContact OE2-NH2 2.95Å; I41-R43 VanDerWaalsContact C-N 3.29Å; I41-R43 PolarHBondContact O-N 3.38Å; R43-K47 HydrophobicContact CG-CD 4.41Å; R43-K47 HydrophobicContact CG-CG 4.32Å; R43-K47 VanDerWaalsContact NH1-CD 3.34Å; R43-K47 VanDerWaalsContact O-CB 3.29Å; R43-K47 WeakPolarHBondContact O-CB 3.41Å; R43-K47 WeakPolarHBondContact O-CG 3.47Å; R43-K47 PolarHBondContact O-N 2.96Å
44	R	98.9	Very high	98.7	Very high	43 Å²	43	61 Å²	61	16%	0.162	29%	0.287	C	S	.	.	H	α-helix	trans	-66.7	-38.6	178	-73.7	-179.3	-175.7	-144.1	1	112.2	E40 I41 V42 R48 M107 G119 T120 D124	E40-R44 WeakPolarHBondContact O-CG 3.47Å; E40-R44 PolarHBondContact O-N 2.87Å; E40-R44 VanDerWaalsContact O-N 3.13Å; E40-R44 IonicContact OE1-CZ 3.64Å; E40-R44 IonicContact OE1-NE 3.94Å; E40-R44 PolarHBondContact OE1-NE 3.32Å; E40-R44 IonicContact OE1-NH2 2.71Å; E40-R44 PolarHBondContact OE1-NH2 3.09Å; I41-R44 PolarHBondContact O-N 3.34Å; I41-R44 VanDerWaalsContact O-N 3.08Å; V42-R44 VanDerWaalsContact C-N 3.25Å; V42-R44 PolarHBondContact O-N 2.92Å; R44-R48 WeakPolarHBondContact O-CB 3.46Å; R44-R48 PolarHBondContact O-N 3.3Å; R44-M107 HydrophobicContact CB-CE 4.28Å; R44-M107 WeakPolarHBondContact O-CE 3.29Å; R44-G119 PolarHBondContact NH1-O 2.95Å; R44-T120 PolarHBondContact NH1-O 3.15Å; R44-D124 IonicContact CZ-OD2 3.52Å; R44-D124 IonicContact NH1-OD2 3.93Å; R44-D124 PolarHBondContact NH1-OD2 2.94Å; R44-D124 IonicContact NH2-OD2 3.43Å; R44-D124 PolarHBondContact NH2-OD2 3.25Å
45	F	98.9	Very high	98.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-72.1	-42.7	175.2	-78.4	-98.5	0	0	0	112	I26 I41 V42 R48 G49 F50 W95 A104 M107 L108 I121 I134	I26-F45 HydrophobicContact CD1-CE1 4.02Å; I26-F45 HydrophobicContact CD1-CZ 3.73Å; I26-F45 HydrophobicContact CG1-CE1 3.89Å; I26-F45 HydrophobicContact CG1-CZ 3.8Å; I26-F45 HydrophobicContact CG2-CE2 4.39Å; I26-F45 HydrophobicContact CG2-CZ 4.27Å; I41-F45 HydrophobicContact CG2-CD2 4.35Å; I41-F45 HydrophobicContact CG2-CE2 4.25Å; I41-F45 WeakPolarHBondContact O-CD2 3.42Å; I41-F45 PolarHBondContact O-N 3.43Å; V42-F45 PolarHBondContact O-N 3.29Å; F45-R48 WeakPolarHBondContact O-CB 3.41Å; F45-R48 PolarHBondContact O-N 2.94Å; F45-G49 PolarHBondContact O-N 2.94Å; F45-F50 AromaticContact CD1-CD2 3.91Å; F45-F50 HydrophobicContact CD1-CD2 3.91Å; F45-F50 PolarHBondContact O-N 3.39Å; F45-W95 HydrophobicContact CB-CD2 3.65Å; F45-W95 HydrophobicContact CB-CE3 3.71Å; F45-W95 HydrophobicContact CB-CG 4.45Å; F45-W95 HydrophobicContact CB-CH2 3.58Å; F45-W95 HydrophobicContact CB-CZ2 3.49Å; F45-W95 VanDerWaalsContact CB-CZ2 3.49Å; F45-W95 HydrophobicContact CB-CZ3 3.67Å; F45-W95 HydrophobicContact CD1-CB 4.26Å; F45-W95 AromaticContact CD1-CD1 3.87Å; F45-W95 AromaticContact CD1-CD2 3.81Å; F45-W95 HydrophobicContact CD1-CD2 3.81Å; F45-W95 HydrophobicContact CD1-CE3 4.4Å; F45-W95 AromaticContact CD1-CG 3.7Å; F45-W95 HydrophobicContact CD1-CG 3.7Å; F45-W95 HydrophobicContact CE1-CG 4.28Å; F45-W95 AromaticContact CG-CD2 3.95Å; F45-W95 HydrophobicContact CG-CD2 3.95Å; F45-W95 AromaticContact CG-CE2 3.78Å; F45-W95 HydrophobicContact CG-CE3 4.45Å; F45-W95 HydrophobicContact CG-CG 4.27Å; F45-W95 HydrophobicContact CG-CZ2 4.18Å; F45-W95 AromaticContact CG-NE1 3.98Å; F45-A104 HydrophobicContact CE1-CB 3.69Å; F45-A104 HydrophobicContact CZ-CB 4Å; F45-M107 HydrophobicContact CD1-CE 4.39Å; F45-M107 HydrophobicContact CD2-CE 4.25Å; F45-M107 HydrophobicContact CE2-CE 4.47Å; F45-M107 HydrophobicContact CG-CE 4.21Å; F45-L108 HydrophobicContact CE2-CD1 4.15Å; F45-L108 HydrophobicContact CZ-CD1 3.7Å; F45-I121 HydrophobicContact CE2-CD1 3.98Å; F45-I134 HydrophobicContact CE2-CD1 4.45Å
46	E	98.7	Very high	98.7	Very high	110 Å²	110	55 Å²	55	51%	0.514	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-49	176.1	-66.1	-179.7	138.9	0	0	111.8	V42 R48 G49 W95	V42-E46 HydrophobicContact CG1-CG 4.02Å; V42-E46 WeakPolarHBondContact O-CG 3.38Å; V42-E46 PolarHBondContact O-N 2.95Å; E46-R48 PolarHBondContact O-N 2.8Å; E46-G49 PolarHBondContact O-N 3.05Å; E46-W95 HydrophobicContact CG-CH2 3.65Å; E46-W95 HydrophobicContact CG-CZ3 4.06Å
47	K	98.3	Very high	98.7	Very high	158 Å²	158	51.4 Å²	51.4	69%	0.687	26%	0.255	S	S	*	.	H	α-helix	trans	-64.1	-23.5	178.9	-76.6	-161.9	-175.8	178.6	0	113.4	R43	R43-K47 HydrophobicContact CG-CD 4.41Å; R43-K47 HydrophobicContact CG-CG 4.32Å; R43-K47 VanDerWaalsContact NH1-CD 3.34Å; R43-K47 VanDerWaalsContact O-CB 3.29Å; R43-K47 WeakPolarHBondContact O-CB 3.41Å; R43-K47 WeakPolarHBondContact O-CG 3.47Å; R43-K47 PolarHBondContact O-N 2.96Å
48	R	97.9	Very high	98.7	Very high	143 Å²	143	52.6 Å²	52.6	54%	0.54	26%	0.261	S	S	.	.	H	α-helix	trans	-70.5	-22.5	173	177.9	64.6	93	-178.3	7.6	111.8	R44 F45 E46 F50 M107	R44-R48 WeakPolarHBondContact O-CB 3.46Å; R44-R48 PolarHBondContact O-N 3.3Å; F45-R48 WeakPolarHBondContact O-CB 3.41Å; F45-R48 PolarHBondContact O-N 2.94Å; E46-R48 PolarHBondContact O-N 2.8Å; R48-F50 HydrophobicContact CB-CD2 4.1Å; R48-F50 HydrophobicContact CB-CE2 4.32Å; R48-F50 HydrophobicContact CG-CD2 3.71Å; R48-F50 HydrophobicContact CG-CE2 3.48Å; R48-F50 VanDerWaalsContact CG-CE2 3.48Å; R48-F50 HydrophobicContact CG-CG 4.34Å; R48-F50 HydrophobicContact CG-CZ 3.92Å; R48-M107 HydrophobicContact CB-CE 4.14Å; R48-M107 HydrophobicContact CB-SD 4.22Å; R48-M107 HydrophobicContact CG-SD 3.93Å
49	G	98.2	Very high	98.6	Very high	17 Å²	17	58.3 Å²	58.3	18%	0.175	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	7.6	-174.4	0	0	0	0	0	113.9	F45 E46	F45-G49 PolarHBondContact O-N 2.94Å; E46-G49 PolarHBondContact O-N 3.05Å
50	F	98.6	Very high	98.6	Very high	19 Å²	19	56 Å²	56	8%	0.083	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-74.3	147.2	173.6	-65.3	-44.4	0	0	0	111.2	F45 R48 W95 V100 T103 M107	F45-F50 AromaticContact CD1-CD2 3.91Å; F45-F50 HydrophobicContact CD1-CD2 3.91Å; F45-F50 PolarHBondContact O-N 3.39Å; R48-F50 HydrophobicContact CB-CD2 4.1Å; R48-F50 HydrophobicContact CB-CE2 4.32Å; R48-F50 HydrophobicContact CG-CD2 3.71Å; R48-F50 HydrophobicContact CG-CE2 3.48Å; R48-F50 VanDerWaalsContact CG-CE2 3.48Å; R48-F50 HydrophobicContact CG-CG 4.34Å; R48-F50 HydrophobicContact CG-CZ 3.92Å; F50-W95 HydrophobicContact CB-CE3 3.79Å; F50-W95 HydrophobicContact CB-CZ3 4.47Å; F50-W95 WeakPolarHBondContact O-CZ3 3.23Å; F50-V100 HydrophobicContact CD1-CB 4.13Å; F50-V100 HydrophobicContact CD1-CG2 3.72Å; F50-V100 HydrophobicContact CD2-CG2 3.89Å; F50-V100 HydrophobicContact CE1-CB 3.86Å; F50-V100 HydrophobicContact CE1-CG2 3.78Å; F50-V100 HydrophobicContact CE2-CG2 3.92Å; F50-V100 HydrophobicContact CG-CG2 3.79Å; F50-V100 HydrophobicContact CZ-CB 4.16Å; F50-V100 HydrophobicContact CZ-CG2 3.89Å; F50-T103 HydrophobicContact CE2-CG2 3.91Å; F50-T103 HydrophobicContact CZ-CG2 3.62Å; F50-M107 HydrophobicContact CD2-SD 4.43Å; F50-M107 HydrophobicContact CE2-SD 3.86Å
51	K	98.5	Very high	98.6	Very high	33 Å²	33	56.7 Å²	56.7	14%	0.143	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.5	-175.9	-177.5	-171.2	177	-171.8	0	110.5	V53 Q96 W159	K51-V53 HydrophobicContact CD-CG1 4.17Å; K51-V53 HydrophobicContact CG-CG1 4.19Å; K51-V53 PolarHBondContact O-N 3.04Å; K51-Q96 HydrophobicContact CB-CB 4.36Å; K51-Q96 PolarHBondContact N-O 2.56Å; K51-Q96 PolarHBondContact O-N 2.96Å; K51-W159 HydrophobicContact CD-CZ2 4.26Å; K51-W159 WeakPolarHBondContact CE-O 3.47Å; K51-W159 HydrophobicContact CG-CH2 4.06Å; K51-W159 HydrophobicContact CG-CZ2 3.39Å; K51-W159 PolarHBondContact NZ-O 2.72Å
52	L	98.7	Very high	98.5	Very high	42 Å²	42	61 Å²	61	22%	0.22	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.9	172.9	-175.2	62.1	0	0	0	109.8	A54 L55 M93 W95 W159	L52-A54 VanDerWaalsContact CD1-O 3.26Å; L52-A54 WeakPolarHBondContact CD1-O 3.35Å; L52-L55 HydrophobicContact CD1-CB 4.27Å; L52-L55 HydrophobicContact CD1-CD1 4.49Å; L52-L55 HydrophobicContact CD2-CB 4.11Å; L52-L55 HydrophobicContact CD2-CD1 3.86Å; L52-M93 HydrophobicContact CD1-CB 4.22Å; L52-M93 HydrophobicContact CD1-CG 4.42Å; L52-W95 HydrophobicContact CB-CE3 4.13Å; L52-W95 HydrophobicContact CB-CH2 3.86Å; L52-W95 HydrophobicContact CB-CZ2 4.38Å; L52-W95 HydrophobicContact CB-CZ3 3.74Å; L52-W95 HydrophobicContact CD1-CD2 4.18Å; L52-W95 HydrophobicContact CD1-CH2 4.17Å; L52-W95 HydrophobicContact CD1-CZ2 3.82Å; L52-W95 HydrophobicContact CG-CH2 4.42Å; L52-W159 PolarHBondContact O-NE1 2.86Å
53	V	98.5	Very high	98.5	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-12.9	-179.9	-61.2	0	0	0	0	113.5	K51 V94 Q96 H157	K51-V53 HydrophobicContact CD-CG1 4.17Å; K51-V53 HydrophobicContact CG-CG1 4.19Å; K51-V53 PolarHBondContact O-N 3.04Å; V53-V94 HydrophobicContact CG2-CB 3.76Å; V53-V94 HydrophobicContact CG2-CG1 3.48Å; V53-V94 VanDerWaalsContact CG2-CG1 3.48Å; V53-V94 WeakPolarHBondContact CG2-O 3.19Å; V53-V94 PolarHBondContact N-O 2.94Å; V53-Q96 HydrophobicContact CG1-CB 3.82Å; V53-Q96 HydrophobicContact CG2-CB 4.42Å; V53-H157 PolarHBondContact O-N 3.18Å
54	A	98.8	Very high	98.5	Very high	5 Å²	5	64.9 Å²	64.9	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	147.2	168.2	0	0	0	0	0	110.9	L52 M93 V94 F151 E155 L156	L52-A54 VanDerWaalsContact CD1-O 3.26Å; L52-A54 WeakPolarHBondContact CD1-O 3.35Å; A54-M93 CarbonylContact O-C 3.57Å; A54-M93 VanDerWaalsContact O-CA 3.29Å; A54-M93 WeakPolarHBondContact O-CA 3.4Å; A54-V94 HydrophobicContact CB-CB 4.07Å; A54-V94 HydrophobicContact CB-CG2 4.01Å; A54-V94 PolarHBondContact N-O 3.22Å; A54-V94 PolarHBondContact O-N 2.79Å; A54-F151 HydrophobicContact CB-CD1 3.82Å; A54-F151 HydrophobicContact CB-CE1 3.62Å; A54-F151 HydrophobicContact CB-CG 4.43Å; A54-F151 HydrophobicContact CB-CZ 4.09Å; A54-E155 VanDerWaalsContact CB-O 3.25Å; A54-E155 WeakPolarHBondContact CB-O 3.2Å; A54-L156 HydrophobicContact CB-CD2 3.68Å
55	L	98.8	Very high	98.5	Very high	88 Å²	88	62.8 Å²	62.8	46%	0.461	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	134.8	175.8	-175.8	146.9	0	0	0	109.8	V42 L52 V91 A92 M93	V42-L55 HydrophobicContact CG2-CD1 4.42Å; L52-L55 HydrophobicContact CD1-CB 4.27Å; L52-L55 HydrophobicContact CD1-CD1 4.49Å; L52-L55 HydrophobicContact CD2-CB 4.11Å; L52-L55 HydrophobicContact CD2-CD1 3.86Å; L55-V91 HydrophobicContact CD1-CG1 4.28Å; L55-V91 HydrophobicContact CD2-CG1 4.4Å; L55-V91 HydrophobicContact CG-CG1 4.1Å; L55-A92 CarbonylContact C-O 3.58Å; L55-A92 WeakPolarHBondContact CA-O 3.36Å; L55-M93 HydrophobicContact CB-CG 4.38Å; L55-M93 HydrophobicContact CD1-CG 3.89Å; L55-M93 HydrophobicContact CD1-SD 3.98Å; L55-M93 HydrophobicContact CG-CG 3.98Å
56	K	98.6	Very high	98.4	Very high	42 Å²	42	68.6 Å²	68.6	18%	0.183	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	144.1	168.7	62.4	-175.3	173.5	-170.9	0	112.8	I58 V91 A92 W150 F151 E155	K56-I58 HydrophobicContact CB-CG2 4.26Å; K56-I58 HydrophobicContact CD-CG2 3.8Å; K56-I58 HydrophobicContact CG-CG2 3.87Å; K56-V91 WeakPolarHBondContact O-CA 3.49Å; K56-A92 HydrophobicContact CG-CB 4.19Å; K56-A92 PolarHBondContact N-O 3.1Å; K56-A92 PolarHBondContact O-N 2.95Å; K56-W150 WeakPolarHBondContact CE-O 3.3Å; K56-W150 PolarHBondContact NZ-O 3.02Å; K56-F151 HydrophobicContact CD-CD1 4.28Å; K56-F151 HydrophobicContact CD-CE1 3.86Å; K56-F151 HydrophobicContact CG-CE1 3.76Å; K56-F151 HydrophobicContact CG-CZ 4.09Å; K56-E155 WeakPolarHBondContact CD-OE1 3.41Å; K56-E155 IonicContact NZ-OE1 3.48Å; K56-E155 PolarHBondContact NZ-OE1 3.1Å; K56-E155 IonicContact NZ-OE2 3.14Å; K56-E155 PolarHBondContact NZ-OE2 2.9Å; K56-E155 VanDerWaalsContact NZ-OE2 3.1Å
57	L	98.8	Very high	98.4	Very high	113 Å²	113	68.6 Å²	68.6	59%	0.592	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.5	167.6	-177	73.7	0	0	0	108.4	V33 P89 V90 V91	V33-L57 HydrophobicContact CG1-CD1 4.39Å; L57-P89 HydrophobicContact CD1-CB 3.87Å; L57-P89 HydrophobicContact CG-CB 4.33Å; L57-V90 WeakPolarHBondContact CA-O 3.39Å; L57-V91 HydrophobicContact CD1-CG2 3.52Å
58	I	98.5	Very high	98.4	Very high	44 Å²	44	62.2 Å²	62.2	23%	0.226	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.8	-179	58.9	160.8	0	0	0	111.5	K56 L64 P89 V90 W150	K56-I58 HydrophobicContact CB-CG2 4.26Å; K56-I58 HydrophobicContact CD-CG2 3.8Å; K56-I58 HydrophobicContact CG-CG2 3.87Å; I58-L64 HydrophobicContact CD1-CD2 4.4Å; I58-P89 CarbonylContact O-C 3.6Å; I58-P89 WeakPolarHBondContact O-CA 3.46Å; I58-V90 PolarHBondContact N-O 3.16Å; I58-V90 PolarHBondContact O-N 3Å; I58-W150 HydrophobicContact CD1-CE3 3.83Å; I58-W150 HydrophobicContact CD1-CZ3 3.69Å; I58-W150 HydrophobicContact CG1-CZ3 4.37Å
59	K	98.3	Very high	98.4	Very high	159 Å²	159	56.2 Å²	56.2	69%	0.691	28%	0.275	S	S	*	.			trans	-93	103.9	161.1	-170.2	177	-177.5	179.5	0	107.5	S86	K59-S86 WeakPolarHBondContact CE-O 3.29Å
60	A	98.1	Very high	98.4	Very high	5 Å²	5	61.7 Å²	61.7	4%	0.041	29%	0.29	C	S	.	.			trans	-66.7	136.3	-177.1	0	0	0	0	0	111	L64 L65 W150	A60-L64 HydrophobicContact CB-CD2 4.12Å; A60-L65 HydrophobicContact CB-CD1 4.09Å; A60-L65 HydrophobicContact CB-CD2 3.93Å; A60-L65 HydrophobicContact CB-CG 3.86Å; A60-W150 HydrophobicContact CB-CH2 3.94Å; A60-W150 HydrophobicContact CB-CZ3 4.15Å
61	S	98.3	Very high	98.2	Very high	62 Å²	62	67.8 Å²	67.8	43%	0.434	32%	0.319	S	S	.	.			trans	-70.6	154.6	173.6	64.7	0	0	0	0	110.5	E63 L64 L65	S61-E63 PolarHBondContact O-N 3.36Å; S61-L64 PolarHBondContact O-N 2.7Å; S61-L64 WeakPolarHBondContact OG-CB 3.34Å; S61-L64 PolarHBondContact OG-N 3.44Å; S61-L65 WeakPolarHBondContact O-CG 3.3Å; S61-L65 PolarHBondContact O-N 2.88Å
62	E	98.1	Very high	98.1	Very high	91 Å²	91	68.9 Å²	68.9	43%	0.425	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-35	173.3	-71.5	-162.9	-169.9	0	0	112.3	L65 R66 I82	E62-L65 PolarHBondContact O-N 3.4Å; E62-R66 WeakPolarHBondContact O-CB 3.49Å; E62-R66 WeakPolarHBondContact O-CG 3.42Å; E62-R66 PolarHBondContact O-N 3.41Å; E62-R66 IonicContact OE2-NE 2.72Å; E62-R66 IonicContact OE2-NH2 3.87Å; E62-R66 PolarHBondContact OE2-NH2 3.36Å; E62-I82 HydrophobicContact CB-CG2 4.03Å; E62-I82 HydrophobicContact CG-CG2 3.86Å
63	E	98.3	Very high	98.1	Very high	150 Å²	150	71.6 Å²	71.6	70%	0.701	33%	0.333	S	S	*	.	H	α-helix	trans	-58.5	-51.9	175.7	-175.9	-179.8	-175.3	0	0	111.2	S61 L65 R66 E67	S61-E63 PolarHBondContact O-N 3.36Å; E63-L65 VanDerWaalsContact C-N 3.29Å; E63-L65 PolarHBondContact O-N 3.42Å; E63-R66 PolarHBondContact O-N 3.21Å; E63-E67 PolarHBondContact O-N 3.4Å
64	L	98.5	Very high	98	Very high	35 Å²	35	78.1 Å²	78.1	18%	0.183	37%	0.368	C	S	.	.	H	α-helix	trans	-58.3	-42.2	176.6	177.2	63.4	0	0	0	111.7	I58 A60 S61 E67 H68 L149 W150	I58-L64 HydrophobicContact CD1-CD2 4.4Å; A60-L64 HydrophobicContact CB-CD2 4.12Å; S61-L64 PolarHBondContact O-N 2.7Å; S61-L64 WeakPolarHBondContact OG-CB 3.34Å; S61-L64 PolarHBondContact OG-N 3.44Å; L64-E67 PolarHBondContact O-N 2.77Å; L64-H68 WeakPolarHBondContact O-CB 3.22Å; L64-H68 PolarHBondContact O-N 3.05Å; L64-L149 HydrophobicContact CD1-CD1 3.76Å; L64-L149 HydrophobicContact CD1-CD2 4.22Å; L64-L149 HydrophobicContact CD1-CG 3.64Å; L64-W150 HydrophobicContact CD2-CD2 4.37Å; L64-W150 HydrophobicContact CD2-CE3 4.2Å; L64-W150 HydrophobicContact CD2-CH2 4.48Å; L64-W150 HydrophobicContact CD2-CZ3 4.26Å
65	L	98.6	Very high	98	Very high	0 Å²	0	83 Å²	83	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-70.1	-34.3	-179.7	-68.4	168.4	0	0	0	112.4	A60 S61 E62 E63 H68 Y69 I82 M85 W150	A60-L65 HydrophobicContact CB-CD1 4.09Å; A60-L65 HydrophobicContact CB-CD2 3.93Å; A60-L65 HydrophobicContact CB-CG 3.86Å; S61-L65 WeakPolarHBondContact O-CG 3.3Å; S61-L65 PolarHBondContact O-N 2.88Å; E62-L65 PolarHBondContact O-N 3.4Å; E63-L65 VanDerWaalsContact C-N 3.29Å; E63-L65 PolarHBondContact O-N 3.42Å; L65-H68 PolarHBondContact O-N 3.41Å; L65-Y69 HydrophobicContact CD2-CE2 4.3Å; L65-Y69 WeakPolarHBondContact O-CB 3.35Å; L65-Y69 WeakPolarHBondContact O-CD2 3.08Å; L65-Y69 PolarHBondContact O-N 2.77Å; L65-I82 HydrophobicContact CB-CD1 3.8Å; L65-I82 HydrophobicContact CB-CG2 4.44Å; L65-I82 WeakPolarHBondContact O-CD1 3.14Å; L65-M85 HydrophobicContact CD1-CB 3.67Å; L65-M85 HydrophobicContact CD2-CB 3.68Å; L65-M85 HydrophobicContact CD2-CE 4.22Å; L65-M85 HydrophobicContact CD2-CG 4.5Å; L65-M85 HydrophobicContact CG-CB 4.27Å; L65-W150 HydrophobicContact CD2-CH2 4.07Å; L65-W150 HydrophobicContact CD2-CZ2 4.15Å
66	R	98.4	Very high	97.9	Very high	121 Å²	121	84.8 Å²	84.8	46%	0.457	41%	0.405	S	S	.	.	H	α-helix	trans	-67.9	-40.1	176.2	-75.7	170.1	-175.3	-107.9	1.9	111.5	E62 E63 Y69 W70 Y78 I82	E62-R66 WeakPolarHBondContact O-CB 3.49Å; E62-R66 WeakPolarHBondContact O-CG 3.42Å; E62-R66 PolarHBondContact O-N 3.41Å; E62-R66 IonicContact OE2-NE 2.72Å; E62-R66 IonicContact OE2-NH2 3.87Å; E62-R66 PolarHBondContact OE2-NH2 3.36Å; E63-R66 PolarHBondContact O-N 3.21Å; R66-Y69 CarbonylContact O-C 3.56Å; R66-W70 VanDerWaalsContact O-CA 3.29Å; R66-W70 WeakPolarHBondContact O-CA 3.42Å; R66-W70 PolarHBondContact O-N 3.03Å; R66-Y78 WeakPolarHBondContact CA-OH 3.31Å; R66-Y78 WeakPolarHBondContact CB-OH 3.48Å; R66-Y78 WeakPolarHBondContact CG-OH 3.33Å; R66-Y78 PolarHBondContact O-OH 3.33Å; R66-I82 HydrophobicContact CG-CD1 4.07Å; R66-I82 HydrophobicContact CG-CG1 4.14Å; R66-I82 HydrophobicContact CG-CG2 4.36Å
67	E	98.3	Very high	97.7	Very high	111 Å²	111	87.7 Å²	87.7	52%	0.519	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-46.3	171.4	-68.9	-58.2	150.1	0	0	111	E63 L64 Y69 W70 L149	E63-E67 PolarHBondContact O-N 3.4Å; L64-E67 PolarHBondContact O-N 2.77Å; E67-Y69 VanDerWaalsContact C-N 3.33Å; E67-Y69 PolarHBondContact O-N 2.74Å; E67-W70 WeakPolarHBondContact O-CB 3.46Å; E67-W70 PolarHBondContact O-N 2.71Å; E67-L149 HydrophobicContact CB-CD1 4.09Å; E67-L149 HydrophobicContact CB-CD2 4.14Å
68	H	98.5	Very high	97.7	Very high	23 Å²	23	83.6 Å²	83.6	11%	0.106	40%	0.395	C	S	.	.	H	α-helix	trans	-61.1	-39.5	179.2	178.8	66.8	0	0	0	112.9	L64 L65 H135 E146 L149 W150	L64-H68 WeakPolarHBondContact O-CB 3.22Å; L64-H68 PolarHBondContact O-N 3.05Å; L65-H68 PolarHBondContact O-N 3.41Å; H68-H135 AromaticContact CE1-CD2 3.94Å; H68-H135 AromaticContact CE1-CE1 3.99Å; H68-H135 AromaticContact CE1-NE2 3.51Å; H68-H135 AromaticContact NE2-CD2 3.91Å; H68-H135 AromaticContact NE2-CE1 3.84Å; H68-H135 AromaticContact NE2-NE2 3.7Å; H68-E146 IonicContact CE1-OE1 2.87Å; H68-L149 HydrophobicContact CB-CD2 3.77Å; H68-W150 HydrophobicContact CB-CZ2 4.4Å; H68-W150 AromaticContact CE1-NE1 3.82Å; H68-W150 AromaticContact CG-NE1 3.54Å; H68-W150 AromaticContact ND1-NE1 3.19Å; H68-W150 PolarHBondContact ND1-NE1 2.98Å; H68-W150 VanDerWaalsContact ND1-NE1 3.19Å
69	Y	97.8	Very high	97.6	Very high	17 Å²	17	85.4 Å²	85.4	7%	0.067	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	20.7	179.9	-66.8	-60.1	0	0	0	113.6	L65 R66 E67 E71 L72 Y78 L81 I82 M85	L65-Y69 HydrophobicContact CD2-CE2 4.3Å; L65-Y69 WeakPolarHBondContact O-CB 3.35Å; L65-Y69 WeakPolarHBondContact O-CD2 3.08Å; L65-Y69 PolarHBondContact O-N 2.77Å; R66-Y69 CarbonylContact O-C 3.56Å; E67-Y69 VanDerWaalsContact C-N 3.33Å; E67-Y69 PolarHBondContact O-N 2.74Å; Y69-E71 PolarHBondContact O-N 2.71Å; Y69-E71 VanDerWaalsContact O-N 3.1Å; Y69-L72 HydrophobicContact CD1-CD1 3.89Å; Y69-L72 WeakPolarHBondContact O-CA 3.42Å; Y69-L72 WeakPolarHBondContact O-CB 3.3Å; Y69-L72 PolarHBondContact O-N 3.11Å; Y69-Y78 VanDerWaalsContact O-CE2 3.26Å; Y69-Y78 WeakPolarHBondContact O-CE2 3.4Å; Y69-L81 HydrophobicContact CD1-CD2 3.67Å; Y69-L81 HydrophobicContact CD2-CD2 3.86Å; Y69-L81 HydrophobicContact CD2-CG 3.97Å; Y69-L81 HydrophobicContact CE1-CD2 3.92Å; Y69-L81 HydrophobicContact CE2-CD1 4.1Å; Y69-L81 HydrophobicContact CE2-CD2 4.08Å; Y69-L81 HydrophobicContact CE2-CG 3.94Å; Y69-L81 HydrophobicContact CG-CD2 3.64Å; Y69-L81 HydrophobicContact CG-CG 4.28Å; Y69-I82 HydrophobicContact CD2-CD1 3.93Å; Y69-M85 HydrophobicContact CE2-CB 4.46Å; Y69-M85 HydrophobicContact CE2-CG 3.88Å
70	W	97.3	Very high	97.6	Very high	132 Å²	132	82.4 Å²	82.4	50%	0.5	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-53.4	-37.4	-173.5	174.7	-105	0	0	0	113.7	R66 E67 L72 R73	R66-W70 VanDerWaalsContact O-CA 3.29Å; R66-W70 WeakPolarHBondContact O-CA 3.42Å; R66-W70 PolarHBondContact O-N 3.03Å; E67-W70 WeakPolarHBondContact O-CB 3.46Å; E67-W70 PolarHBondContact O-N 2.71Å; W70-L72 PolarHBondContact O-N 3.49Å; W70-R73 VanDerWaalsContact O-CB 3.3Å; W70-R73 WeakPolarHBondContact O-CB 3.45Å; W70-R73 VanDerWaalsContact O-CD 3.26Å; W70-R73 WeakPolarHBondContact O-CD 3.13Å; W70-R73 WeakPolarHBondContact O-CG 3.41Å; W70-R73 PolarHBondContact O-N 3.47Å; W70-R73 VanDerWaalsContact O-N 3.17Å; W70-R73 PolarHBondContact O-NH1 3.32Å
71	E	95.3	Very high	97.6	Very high	148 Å²	148	83.4 Å²	83.4	69%	0.692	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22.6	178.5	-61.1	-169.4	166.5	0	0	113	Y69	Y69-E71 PolarHBondContact O-N 2.71Å; Y69-E71 VanDerWaalsContact O-N 3.1Å
72	L	96.3	Very high	97.6	Very high	55 Å²	55	80.6 Å²	80.6	29%	0.288	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-94.4	1.6	179.4	-53.1	-178.9	0	0	0	113.1	Y69 W70 N74 K75 F77 Y78 L81	Y69-L72 HydrophobicContact CD1-CD1 3.89Å; Y69-L72 WeakPolarHBondContact O-CA 3.42Å; Y69-L72 WeakPolarHBondContact O-CB 3.3Å; Y69-L72 PolarHBondContact O-N 3.11Å; W70-L72 PolarHBondContact O-N 3.49Å; L72-N74 PolarHBondContact O-N 3.43Å; L72-K75 HydrophobicContact CB-CG 4.21Å; L72-K75 HydrophobicContact CD2-CG 4.3Å; L72-K75 VanDerWaalsContact O-CB 3.24Å; L72-K75 WeakPolarHBondContact O-CB 3.33Å; L72-K75 WeakPolarHBondContact O-CG 3.49Å; L72-K75 PolarHBondContact O-N 2.9Å; L72-F77 HydrophobicContact CD1-CE2 4.29Å; L72-Y78 HydrophobicContact CB-CD2 4.14Å; L72-Y78 WeakPolarHBondContact O-CB 3.42Å; L72-L81 HydrophobicContact CD1-CD2 3.91Å
73	R	97.7	Very high	97.6	Very high	100 Å²	100	79.7 Å²	79.7	38%	0.377	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.3	-172.7	71.7	-167	178	-78.5	1.6	115.6	W70 Y78	W70-R73 VanDerWaalsContact O-CB 3.3Å; W70-R73 WeakPolarHBondContact O-CB 3.45Å; W70-R73 VanDerWaalsContact O-CD 3.26Å; W70-R73 WeakPolarHBondContact O-CD 3.13Å; W70-R73 WeakPolarHBondContact O-CG 3.41Å; W70-R73 PolarHBondContact O-N 3.47Å; W70-R73 VanDerWaalsContact O-N 3.17Å; W70-R73 PolarHBondContact O-NH1 3.32Å; R73-Y78 HydrophobicContact CB-CD1 4.44Å; R73-Y78 HydrophobicContact CB-CE1 4.1Å; R73-Y78 HydrophobicContact CB-CE2 4.28Å
74	N	97.7	Very high	97.6	Very high	139 Å²	139	73.6 Å²	73.6	74%	0.743	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	2.3	179.1	-64	-27.5	0	0	0	113.1	L72	L72-N74 PolarHBondContact O-N 3.43Å
75	K	97.4	Very high	97.6	Very high	109 Å²	109	72 Å²	72	47%	0.474	36%	0.357	S	S	.	.	S	Bend	trans	-84	143.1	179.4	-60.4	-64.4	-176.2	179.3	0	110.1	L72 F77 Y78	L72-K75 HydrophobicContact CB-CG 4.21Å; L72-K75 HydrophobicContact CD2-CG 4.3Å; L72-K75 VanDerWaalsContact O-CB 3.24Å; L72-K75 WeakPolarHBondContact O-CB 3.33Å; L72-K75 WeakPolarHBondContact O-CG 3.49Å; L72-K75 PolarHBondContact O-N 2.9Å; K75-F77 HydrophobicContact CB-CD1 4.1Å; K75-F77 HydrophobicContact CB-CD2 4.28Å; K75-F77 HydrophobicContact CB-CE1 3.7Å; K75-F77 HydrophobicContact CB-CE2 3.88Å; K75-F77 HydrophobicContact CB-CG 4.38Å; K75-F77 HydrophobicContact CB-CZ 3.58Å; K75-F77 HydrophobicContact CD-CE1 4.43Å; K75-F77 HydrophobicContact CD-CZ 4.39Å; K75-F77 HydrophobicContact CG-CE1 4.14Å; K75-F77 HydrophobicContact CG-CE2 4.32Å; K75-F77 HydrophobicContact CG-CZ 3.77Å; K75-F77 PolarHBondContact O-N 3.35Å; K75-F77 VanDerWaalsContact O-N 3.12Å; K75-Y78 VanDerWaalsContact O-CB 3.25Å; K75-Y78 WeakPolarHBondContact O-CB 3.28Å; K75-Y78 PolarHBondContact O-N 3.46Å
76	P	96.8	Very high	97.6	Very high	124 Å²	124	72.9 Å²	72.9	81%	0.805	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.4	-175.9	25.2	-34.9	0	0	0	113.4
77	F	95.7	Very high	97.6	Very high	104 Å²	104	70.9 Å²	70.9	46%	0.456	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.3	179.3	56.5	-103.5	0	0	0	114.1	L72 K75 S79 T80 L81	L72-F77 HydrophobicContact CD1-CE2 4.29Å; K75-F77 HydrophobicContact CB-CD1 4.1Å; K75-F77 HydrophobicContact CB-CD2 4.28Å; K75-F77 HydrophobicContact CB-CE1 3.7Å; K75-F77 HydrophobicContact CB-CE2 3.88Å; K75-F77 HydrophobicContact CB-CG 4.38Å; K75-F77 HydrophobicContact CB-CZ 3.58Å; K75-F77 HydrophobicContact CD-CE1 4.43Å; K75-F77 HydrophobicContact CD-CZ 4.39Å; K75-F77 HydrophobicContact CG-CE1 4.14Å; K75-F77 HydrophobicContact CG-CE2 4.32Å; K75-F77 HydrophobicContact CG-CZ 3.77Å; K75-F77 PolarHBondContact O-N 3.35Å; K75-F77 VanDerWaalsContact O-N 3.12Å; F77-S79 PolarHBondContact O-N 2.93Å; F77-T80 PolarHBondContact O-N 3.02Å; F77-L81 WeakPolarHBondContact O-CB 3.23Å; F77-L81 PolarHBondContact O-N 3.47Å
78	Y	97.6	Very high	97.6	Very high	26 Å²	26	65.9 Å²	65.9	10%	0.102	35%	0.346	C	S	.	.	H	α-helix	trans	-60.2	-47.6	-172	178.8	-111.2	0	0	0	113	R66 Y69 L72 R73 K75 T80 L81 I82	R66-Y78 WeakPolarHBondContact CA-OH 3.31Å; R66-Y78 WeakPolarHBondContact CB-OH 3.48Å; R66-Y78 WeakPolarHBondContact CG-OH 3.33Å; R66-Y78 PolarHBondContact O-OH 3.33Å; Y69-Y78 VanDerWaalsContact O-CE2 3.26Å; Y69-Y78 WeakPolarHBondContact O-CE2 3.4Å; L72-Y78 HydrophobicContact CB-CD2 4.14Å; L72-Y78 WeakPolarHBondContact O-CB 3.42Å; R73-Y78 HydrophobicContact CB-CD1 4.44Å; R73-Y78 HydrophobicContact CB-CE1 4.1Å; R73-Y78 HydrophobicContact CB-CE2 4.28Å; K75-Y78 VanDerWaalsContact O-CB 3.25Å; K75-Y78 WeakPolarHBondContact O-CB 3.28Å; K75-Y78 PolarHBondContact O-N 3.46Å; Y78-T80 VanDerWaalsContact C-N 3.33Å; Y78-T80 PolarHBondContact O-N 2.83Å; Y78-L81 WeakPolarHBondContact O-CB 3.36Å; Y78-L81 PolarHBondContact O-N 2.96Å; Y78-L81 VanDerWaalsContact O-N 3.13Å; Y78-I82 HydrophobicContact CD1-CG1 4.48Å; Y78-I82 HydrophobicContact CD2-CG1 4.41Å; Y78-I82 HydrophobicContact CE1-CG1 4.17Å; Y78-I82 HydrophobicContact CE2-CD1 3.94Å; Y78-I82 HydrophobicContact CE2-CG1 4.08Å; Y78-I82 WeakPolarHBondContact O-CG1 3.37Å; Y78-I82 PolarHBondContact O-N 3.45Å
79	S	97.5	Very high	97.6	Very high	83 Å²	83	66.8 Å²	66.8	58%	0.58	35%	0.354	S	S	*	.	H	α-helix	trans	-60	-43.9	178.7	54.1	0	0	0	0	111.9	F77 L81 I82 S83	F77-S79 PolarHBondContact O-N 2.93Å; S79-L81 VanDerWaalsContact C-N 3.33Å; S79-L81 PolarHBondContact O-N 3.34Å; S79-I82 PolarHBondContact O-N 3.03Å; S79-S83 WeakPolarHBondContact O-CB 3.47Å; S79-S83 PolarHBondContact O-N 2.82Å
80	T	97.3	Very high	97.6	Very high	96 Å²	96	66 Å²	66	59%	0.589	35%	0.351	S	S	*	.	H	α-helix	trans	-64.2	-38	175.7	-50.6	0	0	0	0	111.7	F77 Y78 Y84	F77-T80 PolarHBondContact O-N 3.02Å; Y78-T80 VanDerWaalsContact C-N 3.33Å; Y78-T80 PolarHBondContact O-N 2.83Å; T80-Y84 WeakPolarHBondContact O-CB 3.43Å; T80-Y84 PolarHBondContact O-N 2.92Å
81	L	97.9	Very high	97.7	Very high	25 Å²	25	59.9 Å²	59.9	13%	0.131	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-46	175.9	174.9	61.9	0	0	0	111.8	Y69 L72 F77 Y78 S79 Y84 M85	Y69-L81 HydrophobicContact CD1-CD2 3.67Å; Y69-L81 HydrophobicContact CD2-CD2 3.86Å; Y69-L81 HydrophobicContact CD2-CG 3.97Å; Y69-L81 HydrophobicContact CE1-CD2 3.92Å; Y69-L81 HydrophobicContact CE2-CD1 4.1Å; Y69-L81 HydrophobicContact CE2-CD2 4.08Å; Y69-L81 HydrophobicContact CE2-CG 3.94Å; Y69-L81 HydrophobicContact CG-CD2 3.64Å; Y69-L81 HydrophobicContact CG-CG 4.28Å; L72-L81 HydrophobicContact CD1-CD2 3.91Å; F77-L81 WeakPolarHBondContact O-CB 3.23Å; F77-L81 PolarHBondContact O-N 3.47Å; Y78-L81 WeakPolarHBondContact O-CB 3.36Å; Y78-L81 PolarHBondContact O-N 2.96Å; Y78-L81 VanDerWaalsContact O-N 3.13Å; S79-L81 VanDerWaalsContact C-N 3.33Å; S79-L81 PolarHBondContact O-N 3.34Å; L81-Y84 HydrophobicContact CD1-CD1 4.43Å; L81-Y84 PolarHBondContact O-N 3.25Å; L81-M85 HydrophobicContact CD1-CG 4.04Å; L81-M85 WeakPolarHBondContact O-CB 3.24Å; L81-M85 WeakPolarHBondContact O-CG 3.49Å; L81-M85 PolarHBondContact O-N 3.48Å
82	I	98.5	Very high	97.9	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-50	176.7	-60.6	-55.8	0	0	0	110.5	E62 L65 R66 Y69 Y78 S79 Y84 M85 S86	E62-I82 HydrophobicContact CB-CG2 4.03Å; E62-I82 HydrophobicContact CG-CG2 3.86Å; L65-I82 HydrophobicContact CB-CD1 3.8Å; L65-I82 HydrophobicContact CB-CG2 4.44Å; L65-I82 WeakPolarHBondContact O-CD1 3.14Å; R66-I82 HydrophobicContact CG-CD1 4.07Å; R66-I82 HydrophobicContact CG-CG1 4.14Å; R66-I82 HydrophobicContact CG-CG2 4.36Å; Y69-I82 HydrophobicContact CD2-CD1 3.93Å; Y78-I82 HydrophobicContact CD1-CG1 4.48Å; Y78-I82 HydrophobicContact CD2-CG1 4.41Å; Y78-I82 HydrophobicContact CE1-CG1 4.17Å; Y78-I82 HydrophobicContact CE2-CD1 3.94Å; Y78-I82 HydrophobicContact CE2-CG1 4.08Å; Y78-I82 WeakPolarHBondContact O-CG1 3.37Å; Y78-I82 PolarHBondContact O-N 3.45Å; S79-I82 PolarHBondContact O-N 3.03Å; I82-Y84 VanDerWaalsContact C-N 3.3Å; I82-Y84 PolarHBondContact O-N 3.48Å; I82-M85 PolarHBondContact O-N 2.98Å; I82-S86 WeakPolarHBondContact O-CB 3.39Å; I82-S86 PolarHBondContact O-N 2.7Å; I82-S86 PolarHBondContact O-OG 3.23Å; I82-S86 VanDerWaalsContact O-OG 3.07Å
83	S	98.1	Very high	98	Very high	72 Å²	72	50.2 Å²	50.2	50%	0.503	28%	0.282	S	S	.	.	H	α-helix	trans	-59.3	-41.3	178.5	177.2	0	0	0	0	112.2	S79 S86 S87	S79-S83 WeakPolarHBondContact O-CB 3.47Å; S79-S83 PolarHBondContact O-N 2.82Å; S83-S86 PolarHBondContact O-OG 2.84Å; S83-S87 WeakPolarHBondContact O-CB 3.1Å; S83-S87 PolarHBondContact O-N 3.39Å; S83-S87 VanDerWaalsContact O-N 3.13Å
84	Y	98.4	Very high	98.1	Very high	21 Å²	21	45.5 Å²	45.5	8%	0.082	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-50	175.9	164.1	-121.7	0	0	0	111.8	K29 D31 T80 L81 I82 S86 S87	K29-Y84 HydrophobicContact CD-CE1 4.05Å; D31-Y84 HydrophobicContact CB-CE2 4.48Å; D31-Y84 PolarHBondContact OD1-OH 3.49Å; D31-Y84 PolarHBondContact OD2-OH 2.89Å; T80-Y84 WeakPolarHBondContact O-CB 3.43Å; T80-Y84 PolarHBondContact O-N 2.92Å; L81-Y84 HydrophobicContact CD1-CD1 4.43Å; L81-Y84 PolarHBondContact O-N 3.25Å; I82-Y84 VanDerWaalsContact C-N 3.3Å; I82-Y84 PolarHBondContact O-N 3.48Å; Y84-S86 VanDerWaalsContact C-N 3.32Å; Y84-S86 PolarHBondContact O-N 3.43Å; Y84-S87 WeakPolarHBondContact O-CB 3.35Å; Y84-S87 PolarHBondContact O-N 2.85Å; Y84-S87 PolarHBondContact O-OG 2.86Å
85	M	98.5	Very high	98.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-69.8	-27.9	-177.1	-73.7	-69.1	-62.9	0	0	113.1	K29 L65 Y69 L81 I82 V90	K29-M85 HydrophobicContact CB-SD 3.99Å; K29-M85 HydrophobicContact CD-SD 3.8Å; K29-M85 HydrophobicContact CG-CE 4.14Å; K29-M85 HydrophobicContact CG-SD 3.65Å; L65-M85 HydrophobicContact CD1-CB 3.67Å; L65-M85 HydrophobicContact CD2-CB 3.68Å; L65-M85 HydrophobicContact CD2-CE 4.22Å; L65-M85 HydrophobicContact CD2-CG 4.5Å; L65-M85 HydrophobicContact CG-CB 4.27Å; Y69-M85 HydrophobicContact CE2-CB 4.46Å; Y69-M85 HydrophobicContact CE2-CG 3.88Å; L81-M85 HydrophobicContact CD1-CG 4.04Å; L81-M85 WeakPolarHBondContact O-CB 3.24Å; L81-M85 WeakPolarHBondContact O-CG 3.49Å; L81-M85 PolarHBondContact O-N 3.48Å; I82-M85 PolarHBondContact O-N 2.98Å; M85-V90 HydrophobicContact CE-CG2 4.07Å
86	S	98.2	Very high	98.2	Very high	20 Å²	20	34.4 Å²	34.4	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-84.8	-10.9	175.8	67.5	0	0	0	0	113.7	K59 I82 S83 Y84 G88	K59-S86 WeakPolarHBondContact CE-O 3.29Å; I82-S86 WeakPolarHBondContact O-CB 3.39Å; I82-S86 PolarHBondContact O-N 2.7Å; I82-S86 PolarHBondContact O-OG 3.23Å; I82-S86 VanDerWaalsContact O-OG 3.07Å; S83-S86 PolarHBondContact O-OG 2.84Å; Y84-S86 VanDerWaalsContact C-N 3.32Å; Y84-S86 PolarHBondContact O-N 3.43Å; S86-G88 PolarHBondContact O-N 2.83Å
87	S	98.4	Very high	98.3	Very high	79 Å²	79	28.6 Å²	28.6	55%	0.552	17%	0.171	S	C	*	.	S	Bend	trans	-65.7	-20.5	-175.3	70.7	0	0	0	0	114.5	S83 Y84	S83-S87 WeakPolarHBondContact O-CB 3.1Å; S83-S87 PolarHBondContact O-N 3.39Å; S83-S87 VanDerWaalsContact O-N 3.13Å; Y84-S87 WeakPolarHBondContact O-CB 3.35Å; Y84-S87 PolarHBondContact O-N 2.85Å; Y84-S87 PolarHBondContact O-OG 2.86Å
88	G	98.4	Very high	98.4	Very high	5 Å²	5	27.4 Å²	27.4	5%	0.052	17%	0.17	C	C	.	.	S	Bend	trans	-159.8	-177.9	-175.4	0	0	0	0	0	113.4	S86	S86-G88 PolarHBondContact O-N 2.83Å
89	P	98.8	Very high	98.4	Very high	42 Å²	42	30 Å²	30	27%	0.273	19%	0.185	S	C	.	.			trans	-71	147.7	178.8	30.8	-35.5	0	0	0	111.7	P30 V33 L57 I58	P30-P89 WeakPolarHBondContact CA-O 3.44Å; V33-P89 HydrophobicContact CB-CG 4.48Å; V33-P89 HydrophobicContact CG1-CG 3.88Å; V33-P89 WeakPolarHBondContact CG2-O 3.22Å; L57-P89 HydrophobicContact CD1-CB 3.87Å; L57-P89 HydrophobicContact CG-CB 4.33Å; I58-P89 CarbonylContact O-C 3.6Å; I58-P89 WeakPolarHBondContact O-CA 3.46Å
90	V	98.9	Very high	98.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.6	175.4	169.1	0	0	0	0	108.1	A27 V28 P30 L57 I58 M85 W150	A27-V90 HydrophobicContact CB-CG1 3.86Å; V28-V90 VanDerWaalsContact O-CA 3.3Å; V28-V90 WeakPolarHBondContact O-CA 3.5Å; V28-V90 VanDerWaalsContact O-CG1 3.31Å; V28-V90 WeakPolarHBondContact O-CG1 3.5Å; P30-V90 HydrophobicContact CG-CG2 3.98Å; L57-V90 WeakPolarHBondContact CA-O 3.39Å; I58-V90 PolarHBondContact N-O 3.16Å; I58-V90 PolarHBondContact O-N 3Å; M85-V90 HydrophobicContact CE-CG2 4.07Å; V90-W150 HydrophobicContact CG1-CH2 4.42Å; V90-W150 HydrophobicContact CG1-CZ3 4.24Å
91	V	98.9	Very high	98.5	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.03	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	103.5	167.4	-179.9	0	0	0	0	108.4	A27 V28 V33 V38 L55 K56 L57 M93	A27-V91 CarbonylContact C-O 3.56Å; A27-V91 WeakPolarHBondContact CA-O 3.49Å; V28-V91 HydrophobicContact CB-CB 4.07Å; V28-V91 HydrophobicContact CG2-CB 4.27Å; V28-V91 PolarHBondContact N-O 3.02Å; V28-V91 PolarHBondContact O-N 3.28Å; V33-V91 HydrophobicContact CG2-CG2 4Å; V38-V91 HydrophobicContact CG1-CB 4.43Å; V38-V91 HydrophobicContact CG1-CG1 4.26Å; V38-V91 HydrophobicContact CG1-CG2 3.96Å; V38-V91 HydrophobicContact CG2-CG2 3.74Å; L55-V91 HydrophobicContact CD1-CG1 4.28Å; L55-V91 HydrophobicContact CD2-CG1 4.4Å; L55-V91 HydrophobicContact CG-CG1 4.1Å; K56-V91 WeakPolarHBondContact O-CA 3.49Å; L57-V91 HydrophobicContact CD1-CG2 3.52Å; V91-M93 HydrophobicContact CG1-CG 3.93Å; V91-M93 HydrophobicContact CG1-SD 4.16Å
92	A	98.9	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.5	174	0	0	0	0	0	109.5	F25 L55 K56 W150 F151	F25-A92 HydrophobicContact CE2-CB 3.93Å; F25-A92 HydrophobicContact CZ-CB 4.33Å; L55-A92 CarbonylContact C-O 3.58Å; L55-A92 WeakPolarHBondContact CA-O 3.36Å; K56-A92 HydrophobicContact CG-CB 4.19Å; K56-A92 PolarHBondContact N-O 3.1Å; K56-A92 PolarHBondContact O-N 2.95Å; A92-W150 HydrophobicContact CB-CE3 3.81Å; A92-W150 HydrophobicContact CB-CZ3 4.25Å; A92-F151 HydrophobicContact CB-CE2 4Å; A92-F151 HydrophobicContact CB-CZ 3.81Å
93	M	98.9	Very high	98.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.7	-177.2	-61.9	174.5	-69.6	0	0	111.2	I26 V28 I41 V42 L52 A54 L55 V91 W95	I26-M93 HydrophobicContact CB-CB 4.45Å; I26-M93 HydrophobicContact CB-CE 4.12Å; I26-M93 HydrophobicContact CG2-CE 3.62Å; I26-M93 PolarHBondContact N-O 3.27Å; I26-M93 PolarHBondContact O-N 2.83Å; V28-M93 HydrophobicContact CG2-CE 3.78Å; I41-M93 HydrophobicContact CG2-CE 4.27Å; V42-M93 HydrophobicContact CG2-SD 3.67Å; L52-M93 HydrophobicContact CD1-CB 4.22Å; L52-M93 HydrophobicContact CD1-CG 4.42Å; A54-M93 CarbonylContact O-C 3.57Å; A54-M93 VanDerWaalsContact O-CA 3.29Å; A54-M93 WeakPolarHBondContact O-CA 3.4Å; L55-M93 HydrophobicContact CB-CG 4.38Å; L55-M93 HydrophobicContact CD1-CG 3.89Å; L55-M93 HydrophobicContact CD1-SD 3.98Å; L55-M93 HydrophobicContact CG-CG 3.98Å; V91-M93 HydrophobicContact CG1-CG 3.93Å; V91-M93 HydrophobicContact CG1-SD 4.16Å; M93-W95 HydrophobicContact SD-CZ2 4.23Å
94	V	98.9	Very high	98.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.2	167.8	-174.3	0	0	0	0	108.8	R23 T24 V53 A54 I147 F151 L156	R23-V94 HydrophobicContact CB-CG1 4.03Å; R23-V94 HydrophobicContact CG-CG1 4.37Å; T24-V94 WeakPolarHBondContact O-CA 3.28Å; V53-V94 HydrophobicContact CG2-CB 3.76Å; V53-V94 HydrophobicContact CG2-CG1 3.48Å; V53-V94 VanDerWaalsContact CG2-CG1 3.48Å; V53-V94 WeakPolarHBondContact CG2-O 3.19Å; V53-V94 PolarHBondContact N-O 2.94Å; A54-V94 HydrophobicContact CB-CB 4.07Å; A54-V94 HydrophobicContact CB-CG2 4.01Å; A54-V94 PolarHBondContact N-O 3.22Å; A54-V94 PolarHBondContact O-N 2.79Å; V94-I147 HydrophobicContact CG1-CD1 3.64Å; V94-I147 HydrophobicContact CG1-CG1 4.04Å; V94-I147 HydrophobicContact CG1-CG2 4.45Å; V94-I147 HydrophobicContact CG2-CG1 3.98Å; V94-I147 HydrophobicContact CG2-CG2 4.03Å; V94-F151 HydrophobicContact CG2-CD2 3.57Å; V94-F151 HydrophobicContact CG2-CE2 3.52Å; V94-F151 HydrophobicContact CG2-CG 4.26Å; V94-F151 HydrophobicContact CG2-CZ 4.17Å; V94-L156 HydrophobicContact CB-CD2 4.29Å; V94-L156 HydrophobicContact CG1-CD2 4.46Å; V94-L156 HydrophobicContact CG2-CD2 3.92Å
95	W	98.9	Very high	98.6	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.6	178.1	-69.2	91.1	0	0	0	110.1	R23 T24 V42 F45 E46 F50 L52 M93 V100	R23-W95 CarbonylContact C-O 3.59Å; R23-W95 WeakPolarHBondContact CA-O 3.44Å; T24-W95 HydrophobicContact CG2-CB 4.2Å; T24-W95 PolarHBondContact N-O 3.13Å; T24-W95 PolarHBondContact O-N 3.3Å; T24-W95 VanDerWaalsContact O-N 3.1Å; V42-W95 HydrophobicContact CG1-CH2 4.16Å; V42-W95 HydrophobicContact CG1-CZ2 4.19Å; F45-W95 HydrophobicContact CB-CD2 3.65Å; F45-W95 HydrophobicContact CB-CE3 3.71Å; F45-W95 HydrophobicContact CB-CG 4.45Å; F45-W95 HydrophobicContact CB-CH2 3.58Å; F45-W95 HydrophobicContact CB-CZ2 3.49Å; F45-W95 VanDerWaalsContact CB-CZ2 3.49Å; F45-W95 HydrophobicContact CB-CZ3 3.67Å; F45-W95 HydrophobicContact CD1-CB 4.26Å; F45-W95 AromaticContact CD1-CD1 3.87Å; F45-W95 AromaticContact CD1-CD2 3.81Å; F45-W95 HydrophobicContact CD1-CD2 3.81Å; F45-W95 HydrophobicContact CD1-CE3 4.4Å; F45-W95 AromaticContact CD1-CG 3.7Å; F45-W95 HydrophobicContact CD1-CG 3.7Å; F45-W95 HydrophobicContact CE1-CG 4.28Å; F45-W95 AromaticContact CG-CD2 3.95Å; F45-W95 HydrophobicContact CG-CD2 3.95Å; F45-W95 AromaticContact CG-CE2 3.78Å; F45-W95 HydrophobicContact CG-CE3 4.45Å; F45-W95 HydrophobicContact CG-CG 4.27Å; F45-W95 HydrophobicContact CG-CZ2 4.18Å; F45-W95 AromaticContact CG-NE1 3.98Å; E46-W95 HydrophobicContact CG-CH2 3.65Å; E46-W95 HydrophobicContact CG-CZ3 4.06Å; F50-W95 HydrophobicContact CB-CE3 3.79Å; F50-W95 HydrophobicContact CB-CZ3 4.47Å; F50-W95 WeakPolarHBondContact O-CZ3 3.23Å; L52-W95 HydrophobicContact CB-CE3 4.13Å; L52-W95 HydrophobicContact CB-CH2 3.86Å; L52-W95 HydrophobicContact CB-CZ2 4.38Å; L52-W95 HydrophobicContact CB-CZ3 3.74Å; L52-W95 HydrophobicContact CD1-CD2 4.18Å; L52-W95 HydrophobicContact CD1-CH2 4.17Å; L52-W95 HydrophobicContact CD1-CZ2 3.82Å; L52-W95 HydrophobicContact CG-CH2 4.42Å; M93-W95 HydrophobicContact SD-CZ2 4.23Å; W95-V100 HydrophobicContact CB-CG2 4.1Å
96	Q	98.6	Very high	98.6	Very high	15 Å²	15	33.6 Å²	33.6	7%	0.07	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.8	-179.8	-171.1	-176.6	-64.3	0	0	111.1	N21 E22 R23 K51 V53	N21-Q96 PolarHBondContact OD1-NE2 3.12Å; N21-Q96 VanDerWaalsContact OD1-NE2 3.07Å; E22-Q96 CarbonylContact O-C 3.58Å; E22-Q96 VanDerWaalsContact O-CA 3.24Å; E22-Q96 WeakPolarHBondContact O-CA 3.4Å; E22-Q96 WeakPolarHBondContact O-CG 3.46Å; R23-Q96 HydrophobicContact CG-CB 3.96Å; R23-Q96 HydrophobicContact CG-CG 3.87Å; K51-Q96 HydrophobicContact CB-CB 4.36Å; K51-Q96 PolarHBondContact N-O 2.56Å; K51-Q96 PolarHBondContact O-N 2.96Å; V53-Q96 HydrophobicContact CG1-CB 3.82Å; V53-Q96 HydrophobicContact CG2-CB 4.42Å
97	G	98.1	Very high	98.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	17%	0.172	C	C	.	.	S	Bend	trans	163.4	174.2	171.3	0	0	0	0	0	113	V20 E22 D99 V100 Y168	V20-G97 WeakPolarHBondContact O-CA 3.32Å; E22-G97 WeakPolarHBondContact CB-O 3.4Å; E22-G97 PolarHBondContact O-N 3.19Å; G97-D99 PolarHBondContact O-N 3.43Å; G97-V100 WeakPolarHBondContact O-CB 3.01Å; G97-V100 WeakPolarHBondContact O-CG1 3.39Å; G97-V100 PolarHBondContact O-N 2.93Å; G97-Y168 VanDerWaalsContact CA-OH 3.22Å; G97-Y168 WeakPolarHBondContact CA-OH 3.26Å
98	L	97.8	Very high	98.6	Very high	80 Å²	80	29.9 Å²	29.9	42%	0.419	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	128.7	180	-176.1	64.6	0	0	0	111.2	V20 V100 Y168	V20-L98 HydrophobicContact CG1-CB 4.34Å; L98-V100 PolarHBondContact O-N 3.23Å; L98-Y168 HydrophobicContact CB-CD1 4.44Å; L98-Y168 HydrophobicContact CB-CE1 3.62Å; L98-Y168 PolarHBondContact N-OH 2.87Å; L98-Y168 VanDerWaalsContact N-OH 3.15Å
99	D	98.1	Very high	98.7	Very high	81 Å²	81	30 Å²	30	43%	0.433	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	31.2	-178.2	-66.1	-13.2	0	0	0	113.4	E22 G97 V101 K102 T103	E22-D99 WeakPolarHBondContact OE1-CA 3.32Å; G97-D99 PolarHBondContact O-N 3.43Å; D99-V101 VanDerWaalsContact C-N 3.26Å; D99-V101 PolarHBondContact O-N 2.83Å; D99-K102 PolarHBondContact O-N 3.02Å; D99-T103 VanDerWaalsContact O-CB 3.28Å; D99-T103 WeakPolarHBondContact O-CB 3.39Å; D99-T103 PolarHBondContact O-N 3.39Å; D99-T103 PolarHBondContact O-OG1 3.07Å
100	V	98.8	Very high	98.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.9	-32.3	-172.5	68	0	0	0	0	112.3	E22 T24 F50 W95 G97 L98 A104	E22-V100 HydrophobicContact CB-CG1 4.28Å; E22-V100 HydrophobicContact CG-CG1 4.02Å; E22-V100 VanDerWaalsContact O-CG1 3.3Å; E22-V100 WeakPolarHBondContact O-CG1 3.45Å; E22-V100 PolarHBondContact OE1-N 2.87Å; T24-V100 HydrophobicContact CG2-CB 4.48Å; T24-V100 HydrophobicContact CG2-CG1 4.14Å; T24-V100 HydrophobicContact CG2-CG2 3.76Å; F50-V100 HydrophobicContact CD1-CB 4.13Å; F50-V100 HydrophobicContact CD1-CG2 3.72Å; F50-V100 HydrophobicContact CD2-CG2 3.89Å; F50-V100 HydrophobicContact CE1-CB 3.86Å; F50-V100 HydrophobicContact CE1-CG2 3.78Å; F50-V100 HydrophobicContact CE2-CG2 3.92Å; F50-V100 HydrophobicContact CG-CG2 3.79Å; F50-V100 HydrophobicContact CZ-CB 4.16Å; F50-V100 HydrophobicContact CZ-CG2 3.89Å; W95-V100 HydrophobicContact CB-CG2 4.1Å; G97-V100 WeakPolarHBondContact O-CB 3.01Å; G97-V100 WeakPolarHBondContact O-CG1 3.39Å; G97-V100 PolarHBondContact O-N 2.93Å; L98-V100 PolarHBondContact O-N 3.23Å; V100-A104 WeakPolarHBondContact O-CA 3.49Å; V100-A104 WeakPolarHBondContact O-CB 3.43Å; V100-A104 PolarHBondContact O-N 3.3Å
101	V	98.8	Very high	98.6	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-56.6	176.1	175.2	0	0	0	0	110	E22 R23 D99 T103 A104 R105 V140 A143	E22-V101 HydrophobicContact CG-CG2 4.17Å; E22-V101 WeakPolarHBondContact OE1-CB 3.31Å; E22-V101 WeakPolarHBondContact OE1-CG2 3.4Å; E22-V101 PolarHBondContact OE1-N 3.49Å; R23-V101 WeakPolarHBondContact O-CG2 3.31Å; D99-V101 VanDerWaalsContact C-N 3.26Å; D99-V101 PolarHBondContact O-N 2.83Å; V101-T103 VanDerWaalsContact C-N 3.34Å; V101-T103 PolarHBondContact O-N 3.38Å; V101-A104 PolarHBondContact O-N 2.95Å; V101-R105 WeakPolarHBondContact O-CG 3.29Å; V101-R105 PolarHBondContact O-N 3.46Å; V101-R105 VanDerWaalsContact O-N 3.16Å; V101-V140 HydrophobicContact CG2-CG2 4.21Å; V101-A143 HydrophobicContact CG2-CB 3.94Å
102	K	98.5	Very high	98.5	Very high	129 Å²	129	39.2 Å²	39.2	56%	0.561	19%	0.193	S	C	*	.	H	α-helix	trans	-61.6	-43.4	-179.5	-177.7	-178.3	-178.3	179.9	0	111.6	D99 R105 K106	D99-K102 PolarHBondContact O-N 3.02Å; K102-R105 PolarHBondContact O-N 3.26Å; K102-K106 PolarHBondContact O-N 3.1Å
103	T	98.6	Very high	98.5	Very high	33 Å²	33	39.6 Å²	39.6	20%	0.202	20%	0.195	C	C	.	.	H	α-helix	trans	-72.7	-37.8	-176.4	-57	0	0	0	0	111.7	F50 D99 V101 R105 K106 M107	F50-T103 HydrophobicContact CE2-CG2 3.91Å; F50-T103 HydrophobicContact CZ-CG2 3.62Å; D99-T103 VanDerWaalsContact O-CB 3.28Å; D99-T103 WeakPolarHBondContact O-CB 3.39Å; D99-T103 PolarHBondContact O-N 3.39Å; D99-T103 PolarHBondContact O-OG1 3.07Å; V101-T103 VanDerWaalsContact C-N 3.34Å; V101-T103 PolarHBondContact O-N 3.38Å; T103-R105 VanDerWaalsContact C-N 3.35Å; T103-R105 PolarHBondContact O-N 3.19Å; T103-K106 WeakPolarHBondContact O-CB 3.43Å; T103-K106 PolarHBondContact O-N 3.33Å; T103-M107 HydrophobicContact CG2-SD 4.17Å; T103-M107 WeakPolarHBondContact O-CG 3.41Å; T103-M107 PolarHBondContact O-N 3.44Å
104	A	98.8	Very high	98.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-44.8	173	0	0	0	0	0	111.2	T24 I26 F45 V100 V101 K106 M107 L108	T24-A104 HydrophobicContact CG2-CB 4.03Å; I26-A104 HydrophobicContact CD1-CB 3.9Å; F45-A104 HydrophobicContact CE1-CB 3.69Å; F45-A104 HydrophobicContact CZ-CB 4Å; V100-A104 WeakPolarHBondContact O-CA 3.49Å; V100-A104 WeakPolarHBondContact O-CB 3.43Å; V100-A104 PolarHBondContact O-N 3.3Å; V101-A104 PolarHBondContact O-N 2.95Å; A104-K106 VanDerWaalsContact C-N 3.3Å; A104-K106 PolarHBondContact O-N 3.31Å; A104-M107 CarbonylContact O-C 3.55Å; A104-M107 WeakPolarHBondContact O-CA 3.31Å; A104-M107 WeakPolarHBondContact O-CB 3.39Å; A104-M107 PolarHBondContact O-N 3.12Å; A104-L108 WeakPolarHBondContact O-CD1 3.4Å; A104-L108 PolarHBondContact O-N 3.47Å
105	R	98.7	Very high	98.5	Very high	68 Å²	68	48.3 Å²	48.3	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-56.4	-43.8	175.6	-70.7	-61	-57.7	-140.3	-7.6	112.4	V101 K102 T103 M107 L108 G109 G136 S137	V101-R105 WeakPolarHBondContact O-CG 3.29Å; V101-R105 PolarHBondContact O-N 3.46Å; V101-R105 VanDerWaalsContact O-N 3.16Å; K102-R105 PolarHBondContact O-N 3.26Å; T103-R105 VanDerWaalsContact C-N 3.35Å; T103-R105 PolarHBondContact O-N 3.19Å; R105-M107 VanDerWaalsContact C-N 3.34Å; R105-M107 PolarHBondContact O-N 3.36Å; R105-L108 PolarHBondContact O-N 2.96Å; R105-G109 PolarHBondContact O-N 3.35Å; R105-G109 VanDerWaalsContact O-N 3.15Å; R105-G136 WeakPolarHBondContact CD-O 3.42Å; R105-G136 PolarHBondContact NH1-O 3.1Å; R105-S137 VanDerWaalsContact CD-O 3.31Å; R105-S137 WeakPolarHBondContact CD-O 3.34Å; R105-S137 WeakPolarHBondContact CG-O 3.42Å
106	K	98.7	Very high	98.4	Very high	140 Å²	140	48.9 Å²	48.9	61%	0.609	26%	0.257	S	S	*	.	H	α-helix	trans	-62.1	-39.8	173.9	-68.9	-179.7	175.9	-173.4	0	112.7	K102 T103 A104	K102-K106 PolarHBondContact O-N 3.1Å; T103-K106 WeakPolarHBondContact O-CB 3.43Å; T103-K106 PolarHBondContact O-N 3.33Å; A104-K106 VanDerWaalsContact C-N 3.3Å; A104-K106 PolarHBondContact O-N 3.31Å
107	M	98.8	Very high	98.4	Very high	21 Å²	21	54.3 Å²	54.3	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-69.2	-35	177.8	-71.4	171.1	56.4	0	0	112.6	R44 F45 R48 F50 T103 A104 R105 T120 I121	R44-M107 HydrophobicContact CB-CE 4.28Å; R44-M107 WeakPolarHBondContact O-CE 3.29Å; F45-M107 HydrophobicContact CD1-CE 4.39Å; F45-M107 HydrophobicContact CD2-CE 4.25Å; F45-M107 HydrophobicContact CE2-CE 4.47Å; F45-M107 HydrophobicContact CG-CE 4.21Å; R48-M107 HydrophobicContact CB-CE 4.14Å; R48-M107 HydrophobicContact CB-SD 4.22Å; R48-M107 HydrophobicContact CG-SD 3.93Å; F50-M107 HydrophobicContact CD2-SD 4.43Å; F50-M107 HydrophobicContact CE2-SD 3.86Å; T103-M107 HydrophobicContact CG2-SD 4.17Å; T103-M107 WeakPolarHBondContact O-CG 3.41Å; T103-M107 PolarHBondContact O-N 3.44Å; A104-M107 CarbonylContact O-C 3.55Å; A104-M107 WeakPolarHBondContact O-CA 3.31Å; A104-M107 WeakPolarHBondContact O-CB 3.39Å; A104-M107 PolarHBondContact O-N 3.12Å; R105-M107 VanDerWaalsContact C-N 3.34Å; R105-M107 PolarHBondContact O-N 3.36Å; M107-T120 CarbonylContact O-C 3.59Å; M107-T120 WeakPolarHBondContact O-CA 3.41Å; M107-I121 PolarHBondContact O-N 2.86Å
108	L	98.8	Very high	98.5	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.8	-39.6	177.4	-93.6	66.7	0	0	0	111.6	I26 F45 A104 R105 I121 R122 I134	I26-L108 HydrophobicContact CD1-CD1 4.24Å; F45-L108 HydrophobicContact CE2-CD1 4.15Å; F45-L108 HydrophobicContact CZ-CD1 3.7Å; A104-L108 WeakPolarHBondContact O-CD1 3.4Å; A104-L108 PolarHBondContact O-N 3.47Å; R105-L108 PolarHBondContact O-N 2.96Å; L108-I121 HydrophobicContact CD1-CD1 4.06Å; L108-I121 HydrophobicContact CG-CD1 4.47Å; L108-I121 PolarHBondContact O-N 3.03Å; L108-R122 WeakPolarHBondContact O-CB 3.31Å; L108-R122 WeakPolarHBondContact O-CG 3.26Å; L108-R122 PolarHBondContact O-N 2.62Å; L108-I134 HydrophobicContact CB-CG2 4.46Å; L108-I134 HydrophobicContact CD1-CD1 3.93Å; L108-I134 HydrophobicContact CD2-CD1 4.39Å; L108-I134 HydrophobicContact CD2-CG1 4.1Å; L108-I134 HydrophobicContact CD2-CG2 3.87Å; L108-I134 HydrophobicContact CG-CD1 4.02Å; L108-I134 HydrophobicContact CG-CG1 4.22Å; L108-I134 HydrophobicContact CG-CG2 3.67Å
109	G	98.8	Very high	98.5	Very high	7 Å²	7	58.6 Å²	58.6	7%	0.072	33%	0.328	C	S	.	.			trans	89.1	179.4	-169.6	0	0	0	0	0	112.2	R105 R122	R105-G109 PolarHBondContact O-N 3.35Å; R105-G109 VanDerWaalsContact O-N 3.15Å; G109-R122 PolarHBondContact O-NH1 3.25Å
110	E	98.6	Very high	98.5	Very high	115 Å²	115	55.7 Å²	55.7	54%	0.537	31%	0.313	S	S	.	.			trans	-64.9	157.7	-178.6	-66.7	-51.8	135.6	0	0	112.8	N112 D115 S116 R122	E110-N112 VanDerWaalsContact C-N 3.26Å; E110-N112 PolarHBondContact O-N 3.36Å; E110-D115 HydrophobicContact CB-CB 3.98Å; E110-D115 HydrophobicContact CG-CB 4.21Å; E110-S116 PolarHBondContact N-OG 2.89Å; E110-S116 PolarHBondContact O-OG 3.2Å; E110-S116 VanDerWaalsContact O-OG 3.13Å; E110-R122 WeakPolarHBondContact O-CD 2.91Å; E110-R122 PolarHBondContact O-NH1 3.42Å
111	T	97.3	Very high	98.5	Very high	69 Å²	69	55.7 Å²	55.7	42%	0.423	31%	0.313	S	S	.	.	S	Bend	trans	-60.1	-40	-178.3	-62.5	0	0	0	0	111.7	P113 V129 N132	T111-P113 WeakPolarHBondContact O-CD 3.42Å; T111-V129 HydrophobicContact CG2-CG2 4.23Å; T111-N132 PolarHBondContact O-ND2 2.97Å
112	N	98.1	Very high	98.5	Very high	58 Å²	58	55.7 Å²	55.7	31%	0.31	31%	0.312	S	S	.	.	S	Bend	trans	-85.6	118.2	171.3	-179.1	13.2	0	0	0	109.4	E110 A114 D115 S116	E110-N112 VanDerWaalsContact C-N 3.26Å; E110-N112 PolarHBondContact O-N 3.36Å; N112-A114 PolarHBondContact O-N 3.14Å; N112-A114 PolarHBondContact OD1-N 2.86Å; N112-D115 VanDerWaalsContact CB-OD2 3.28Å; N112-D115 WeakPolarHBondContact CB-OD2 3.32Å; N112-D115 PolarHBondContact ND2-OD2 3.47Å; N112-D115 PolarHBondContact O-N 3.43Å; N112-S116 PolarHBondContact O-N 3.04Å; N112-S116 PolarHBondContact O-OG 2.98Å
113	P	98.3	Very high	98.5	Very high	7 Å²	7	51 Å²	51	5%	0.045	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-57.8	-30.2	179.4	-28.1	37.4	0	0	0	114.4	T111 D115 S116 C126 N132	T111-P113 WeakPolarHBondContact O-CD 3.42Å; P113-D115 PolarHBondContact O-N 3.32Å; P113-S116 VanDerWaalsContact O-CB 3.31Å; P113-S116 WeakPolarHBondContact O-CB 3.39Å; P113-S116 PolarHBondContact O-N 2.68Å; P113-C126 HydrophobicContact CB-CB 3.6Å; P113-C126 HydrophobicContact CG-CB 3.36Å; P113-N132 HydrophobicContact CG-CB 4Å
114	A	98.1	Very high	98.6	Very high	79 Å²	79	52.6 Å²	52.6	65%	0.653	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-62	-25.6	177.2	0	0	0	0	0	113.2	N112	N112-A114 PolarHBondContact O-N 3.14Å; N112-A114 PolarHBondContact OD1-N 2.86Å
115	D	98.6	Very high	98.6	Very high	105 Å²	105	54.6 Å²	54.6	56%	0.561	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-96.3	-1.1	178	-54.2	-46.7	0	0	0	111.9	E110 N112 P113	E110-D115 HydrophobicContact CB-CB 3.98Å; E110-D115 HydrophobicContact CG-CB 4.21Å; N112-D115 VanDerWaalsContact CB-OD2 3.28Å; N112-D115 WeakPolarHBondContact CB-OD2 3.32Å; N112-D115 PolarHBondContact ND2-OD2 3.47Å; N112-D115 PolarHBondContact O-N 3.43Å; P113-D115 PolarHBondContact O-N 3.32Å
116	S	98.5	Very high	98.5	Very high	13 Å²	13	52 Å²	52	9%	0.091	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-86.6	130.8	-178.6	-62.7	0	0	0	0	111.4	E110 N112 P113	E110-S116 PolarHBondContact N-OG 2.89Å; E110-S116 PolarHBondContact O-OG 3.2Å; E110-S116 VanDerWaalsContact O-OG 3.13Å; N112-S116 PolarHBondContact O-N 3.04Å; N112-S116 PolarHBondContact O-OG 2.98Å; P113-S116 VanDerWaalsContact O-CB 3.31Å; P113-S116 WeakPolarHBondContact O-CB 3.39Å; P113-S116 PolarHBondContact O-N 2.68Å
117	L	98.7	Very high	98.5	Very high	129 Å²	129	51.6 Å²	51.6	68%	0.675	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-72.9	149.7	179.4	-62.5	176	0	0	0	112.2	T120	L117-T120 HydrophobicContact CB-CG2 4.45Å; L117-T120 WeakPolarHBondContact O-CB 3.4Å; L117-T120 WeakPolarHBondContact O-CG2 3.27Å; L117-T120 PolarHBondContact O-N 2.72Å; L117-T120 VanDerWaalsContact O-N 3.14Å; L117-T120 PolarHBondContact O-OG1 2.8Å
118	P	98.7	Very high	98.4	Very high	118 Å²	118	56.9 Å²	56.9	77%	0.766	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	140.3	168.2	-26.1	35	0	0	0	112.1	T120	P118-T120 VanDerWaalsContact C-N 3.33Å
119	G	98.2	Very high	98.3	Very high	53 Å²	53	60.5 Å²	60.5	55%	0.546	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-15.8	-173.5	0	0	0	0	0	114.4	R44 D124	R44-G119 PolarHBondContact NH1-O 2.95Å; G119-D124 WeakPolarHBondContact CA-OD1 3.33Å; G119-D124 VanDerWaalsContact CA-OD2 3.31Å; G119-D124 WeakPolarHBondContact CA-OD2 3.31Å; G119-D124 PolarHBondContact N-OD1 3.37Å
120	T	98.9	Very high	98.2	Very high	19 Å²	19	61.6 Å²	61.6	12%	0.117	38%	0.375	C	S	.	.	S	Bend	trans	-80.2	155	168.1	69	0	0	0	0	110.6	R44 M107 L117 P118 R122 G123 D124	R44-T120 PolarHBondContact NH1-O 3.15Å; M107-T120 CarbonylContact O-C 3.59Å; M107-T120 WeakPolarHBondContact O-CA 3.41Å; L117-T120 HydrophobicContact CB-CG2 4.45Å; L117-T120 WeakPolarHBondContact O-CB 3.4Å; L117-T120 WeakPolarHBondContact O-CG2 3.27Å; L117-T120 PolarHBondContact O-N 2.72Å; L117-T120 VanDerWaalsContact O-N 3.14Å; L117-T120 PolarHBondContact O-OG1 2.8Å; P118-T120 VanDerWaalsContact C-N 3.33Å; T120-R122 VanDerWaalsContact C-N 3.29Å; T120-R122 PolarHBondContact O-N 3.25Å; T120-G123 PolarHBondContact O-N 3.45Å; T120-G123 PolarHBondContact OG1-N 3.44Å; T120-D124 WeakPolarHBondContact O-CB 3.32Å; T120-D124 VanDerWaalsContact O-CG 3.23Å; T120-D124 PolarHBondContact O-N 2.76Å
121	I	98.9	Very high	98.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-59.2	-43.5	-178.4	-65	170.4	0	0	0	110.8	I41 F45 M107 L108 F125 I134	I41-I121 HydrophobicContact CD1-CG2 4.4Å; I41-I121 HydrophobicContact CG1-CD1 4.48Å; I41-I121 HydrophobicContact CG1-CG2 4.09Å; I41-I121 HydrophobicContact CG2-CD1 4.35Å; F45-I121 HydrophobicContact CE2-CD1 3.98Å; M107-I121 PolarHBondContact O-N 2.86Å; L108-I121 HydrophobicContact CD1-CD1 4.06Å; L108-I121 HydrophobicContact CG-CD1 4.47Å; L108-I121 PolarHBondContact O-N 3.03Å; I121-F125 HydrophobicContact CG2-CD2 4.1Å; I121-F125 WeakPolarHBondContact O-CB 3.47Å; I121-F125 VanDerWaalsContact O-CD2 3.23Å; I121-F125 WeakPolarHBondContact O-CD2 3.42Å; I121-F125 PolarHBondContact O-N 2.99Å; I121-F125 VanDerWaalsContact O-N 3.11Å; I121-I134 HydrophobicContact CB-CG2 4.47Å; I121-I134 HydrophobicContact CD1-CD1 3.73Å; I121-I134 HydrophobicContact CG2-CD1 4.4Å; I121-I134 HydrophobicContact CG2-CG2 3.88Å
122	R	98.9	Very high	98.2	Very high	6 Å²	6	59 Å²	59	2%	0.023	35%	0.353	C	S	.	.	H	α-helix	trans	-74.6	-38.2	179.5	-70	172.8	-173.2	148.3	2.5	112.5	L108 G109 E110 T120 D124 F125 C126 N132 I134	L108-R122 WeakPolarHBondContact O-CB 3.31Å; L108-R122 WeakPolarHBondContact O-CG 3.26Å; L108-R122 PolarHBondContact O-N 2.62Å; G109-R122 PolarHBondContact O-NH1 3.25Å; E110-R122 WeakPolarHBondContact O-CD 2.91Å; E110-R122 PolarHBondContact O-NH1 3.42Å; T120-R122 VanDerWaalsContact C-N 3.29Å; T120-R122 PolarHBondContact O-N 3.25Å; R122-D124 VanDerWaalsContact C-N 3.3Å; R122-D124 PolarHBondContact O-N 2.85Å; R122-F125 PolarHBondContact O-N 3.14Å; R122-C126 HydrophobicContact CB-CB 4.3Å; R122-C126 WeakPolarHBondContact O-CA 3.34Å; R122-C126 VanDerWaalsContact O-CB 3.27Å; R122-C126 WeakPolarHBondContact O-CB 3.4Å; R122-C126 PolarHBondContact O-N 3.47Å; R122-N132 HydrophobicContact CG-CB 4.37Å; R122-I134 HydrophobicContact CG-CG2 4.28Å; R122-I134 PolarHBondContact NH2-O 3.07Å
123	G	98.8	Very high	98.2	Very high	29 Å²	29	56.3 Å²	56.3	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-62.6	-37.2	175.7	0	0	0	0	0	112.7	T120	T120-G123 PolarHBondContact O-N 3.45Å; T120-G123 PolarHBondContact OG1-N 3.44Å
124	D	98.8	Very high	98.2	Very high	67 Å²	67	56 Å²	56	36%	0.358	34%	0.336	S	S	.	.	H	α-helix	trans	-82.9	-29	-178.4	-65.3	-20.7	0	0	0	113.3	R44 G119 T120 R122	R44-D124 IonicContact CZ-OD2 3.52Å; R44-D124 IonicContact NH1-OD2 3.93Å; R44-D124 PolarHBondContact NH1-OD2 2.94Å; R44-D124 IonicContact NH2-OD2 3.43Å; R44-D124 PolarHBondContact NH2-OD2 3.25Å; G119-D124 WeakPolarHBondContact CA-OD1 3.33Å; G119-D124 VanDerWaalsContact CA-OD2 3.31Å; G119-D124 WeakPolarHBondContact CA-OD2 3.31Å; G119-D124 PolarHBondContact N-OD1 3.37Å; T120-D124 WeakPolarHBondContact O-CB 3.32Å; T120-D124 VanDerWaalsContact O-CG 3.23Å; T120-D124 PolarHBondContact O-N 2.76Å; R122-D124 VanDerWaalsContact C-N 3.3Å; R122-D124 PolarHBondContact O-N 2.85Å
125	F	98.7	Very high	98.3	Very high	43 Å²	43	53.4 Å²	53.4	19%	0.189	31%	0.311	C	S	.	.	H	α-helix	trans	-125.5	-5.6	-167.5	-54.2	-54.1	0	0	0	115.5	R35 L37 E40 I121 R122	R35-F125 PolarHBondContact NH1-O 3.48Å; R35-F125 PolarHBondContact NH2-O 2.99Å; L37-F125 HydrophobicContact CD1-CB 3.9Å; L37-F125 HydrophobicContact CD1-CG 4.21Å; L37-F125 HydrophobicContact CD2-CD1 4.15Å; L37-F125 HydrophobicContact CD2-CE1 4.43Å; L37-F125 HydrophobicContact CD2-CG 4.28Å; E40-F125 HydrophobicContact CG-CE1 4.42Å; E40-F125 HydrophobicContact CG-CE2 3.62Å; E40-F125 HydrophobicContact CG-CZ 3.41Å; E40-F125 VanDerWaalsContact CG-CZ 3.41Å; I121-F125 HydrophobicContact CG2-CD2 4.1Å; I121-F125 WeakPolarHBondContact O-CB 3.47Å; I121-F125 VanDerWaalsContact O-CD2 3.23Å; I121-F125 WeakPolarHBondContact O-CD2 3.42Å; I121-F125 PolarHBondContact O-N 2.99Å; I121-F125 VanDerWaalsContact O-N 3.11Å; R122-F125 PolarHBondContact O-N 3.14Å
126	C	98.6	Very high	98.3	Very high	13 Å²	13	48.5 Å²	48.5	9%	0.088	28%	0.284	C	S	.	.			trans	-123.1	155.4	-174.8	-53.7	0	0	0	0	111.2	P113 R122 N132 V133	P113-C126 HydrophobicContact CB-CB 3.6Å; P113-C126 HydrophobicContact CG-CB 3.36Å; R122-C126 HydrophobicContact CB-CB 4.3Å; R122-C126 WeakPolarHBondContact O-CA 3.34Å; R122-C126 VanDerWaalsContact O-CB 3.27Å; R122-C126 WeakPolarHBondContact O-CB 3.4Å; R122-C126 PolarHBondContact O-N 3.47Å; C126-N132 VanDerWaalsContact SG-CA 3.58Å; C126-V133 VanDerWaalsContact SG-CB 3.54Å; C126-V133 WeakPolarHBondContact SG-CG2 3.31Å
127	V	98.3	Very high	98.3	Very high	133 Å²	133	47.9 Å²	47.9	81%	0.806	28%	0.28	S	S	*	.	S	Bend	trans	-122.7	-44.7	178.6	-179.2	0	0	0	0	110.3
128	E	97.2	Very high	98.2	Very high	131 Å²	131	46.6 Å²	46.6	61%	0.612	27%	0.274	S	S	*	.	S	Bend	trans	-118.7	145	-173.8	-167.3	-170.8	164.4	0	0	111.8	G130 R131	E128-G130 VanDerWaalsContact C-N 3.25Å; E128-G130 PolarHBondContact O-N 2.88Å; E128-R131 CarbonylContact O-C 3.28Å; E128-R131 VanDerWaalsContact O-C 3.28Å; E128-R131 PolarHBondContact O-N 2.87Å
129	V	96.3	Very high	98.2	Very high	76 Å²	76	43.1 Å²	43.1	46%	0.461	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-56.8	-34.6	-179.3	66	0	0	0	0	113.6	T111 R131	T111-V129 HydrophobicContact CG2-CG2 4.23Å; V129-R131 PolarHBondContact O-N 3.32Å
130	G	95.8	Very high	98.2	Very high	30 Å²	30	43.2 Å²	43.2	31%	0.309	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-71.1	-11.7	177.7	0	0	0	0	0	114.6	E128	E128-G130 VanDerWaalsContact C-N 3.25Å; E128-G130 PolarHBondContact O-N 2.88Å
131	R	97.9	Very high	98.1	Very high	126 Å²	126	47.8 Å²	47.8	48%	0.475	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-136.2	55.7	-178.1	-63.3	-64.2	-178	-89.3	-3.6	110.4	D31 E128 V129	D31-R131 VanDerWaalsContact OD2-CA 3.26Å; D31-R131 WeakPolarHBondContact OD2-CA 3.39Å; E128-R131 CarbonylContact O-C 3.28Å; E128-R131 VanDerWaalsContact O-C 3.28Å; E128-R131 PolarHBondContact O-N 2.87Å; V129-R131 PolarHBondContact O-N 3.32Å
132	N	98.3	Very high	98	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.027	27%	0.27	C	S	.	.			trans	-95.6	20.3	-175.5	73	-5.4	0	0	0	114.6	K29 T111 P113 R122 C126 I134	K29-N132 PolarHBondContact NZ-OD1 3.13Å; T111-N132 PolarHBondContact O-ND2 2.97Å; P113-N132 HydrophobicContact CG-CB 4Å; R122-N132 HydrophobicContact CG-CB 4.37Å; C126-N132 VanDerWaalsContact SG-CA 3.58Å; N132-I134 PolarHBondContact O-N 3.39Å
133	V	98.3	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.			trans	63.1	-31.8	165	166.9	0	0	0	0	118.3	K29 D31 R35 L37 I41 C126	K29-V133 WeakPolarHBondContact CB-O 3.5Å; K29-V133 PolarHBondContact N-O 3.25Å; D31-V133 VanDerWaalsContact OD1-CA 3.29Å; D31-V133 WeakPolarHBondContact OD1-CA 3.41Å; D31-V133 WeakPolarHBondContact OD2-CA 3.12Å; D31-V133 PolarHBondContact OD2-N 2.81Å; R35-V133 VanDerWaalsContact NH1-CG2 3.29Å; L37-V133 HydrophobicContact CD1-CG1 3.87Å; L37-V133 HydrophobicContact CD1-CG2 3.88Å; I41-V133 HydrophobicContact CD1-CG1 3.66Å; C126-V133 VanDerWaalsContact SG-CB 3.54Å; C126-V133 WeakPolarHBondContact SG-CG2 3.31Å
134	I	98.8	Very high	97.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	141.1	-164.8	-164.6	170.2	0	0	0	112.3	I26 A27 I41 F45 L108 I121 R122 N132	I26-I134 HydrophobicContact CG2-CD1 3.74Å; I26-I134 HydrophobicContact CG2-CG1 3.91Å; A27-I134 CarbonylContact O-C 3.58Å; A27-I134 WeakPolarHBondContact O-CA 3.41Å; I41-I134 HydrophobicContact CD1-CD1 4.2Å; I41-I134 HydrophobicContact CG1-CD1 4.35Å; I41-I134 HydrophobicContact CG2-CD1 3.52Å; F45-I134 HydrophobicContact CE2-CD1 4.45Å; L108-I134 HydrophobicContact CB-CG2 4.46Å; L108-I134 HydrophobicContact CD1-CD1 3.93Å; L108-I134 HydrophobicContact CD2-CD1 4.39Å; L108-I134 HydrophobicContact CD2-CG1 4.1Å; L108-I134 HydrophobicContact CD2-CG2 3.87Å; L108-I134 HydrophobicContact CG-CD1 4.02Å; L108-I134 HydrophobicContact CG-CG1 4.22Å; L108-I134 HydrophobicContact CG-CG2 3.67Å; I121-I134 HydrophobicContact CB-CG2 4.47Å; I121-I134 HydrophobicContact CD1-CD1 3.73Å; I121-I134 HydrophobicContact CG2-CD1 4.4Å; I121-I134 HydrophobicContact CG2-CG2 3.88Å; R122-I134 HydrophobicContact CG-CG2 4.28Å; R122-I134 PolarHBondContact NH2-O 3.07Å; N132-I134 PolarHBondContact O-N 3.39Å
135	H	98.8	Very high	97.8	Very high	26 Å²	26	51.5 Å²	51.5	12%	0.12	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	149.8	168.5	175	76.6	0	0	0	110	F25 I26 A27 H68 E146	F25-H135 AromaticContact CD1-CD2 3.64Å; F25-H135 AromaticContact CE1-CD2 3.64Å; I26-H135 WeakPolarHBondContact CA-O 3.44Å; A27-H135 HydrophobicContact CB-CB 4.12Å; A27-H135 PolarHBondContact N-O 2.94Å; A27-H135 PolarHBondContact O-N 3.36Å; H68-H135 AromaticContact CE1-CD2 3.94Å; H68-H135 AromaticContact CE1-CE1 3.99Å; H68-H135 AromaticContact CE1-NE2 3.51Å; H68-H135 AromaticContact NE2-CD2 3.91Å; H68-H135 AromaticContact NE2-CE1 3.84Å; H68-H135 AromaticContact NE2-NE2 3.7Å; H135-E146 IonicContact CD2-OE2 3.32Å; H135-E146 IonicContact CE1-OE1 3.55Å; H135-E146 PolarHBondContact CE1-OE1 3.25Å; H135-E146 IonicContact NE2-OE1 3.1Å; H135-E146 PolarHBondContact NE2-OE1 3.46Å; H135-E146 IonicContact NE2-OE2 2.83Å; H135-E146 PolarHBondContact NE2-OE2 3.1Å; H135-E146 VanDerWaalsContact NE2-OE2 3.14Å
136	G	98.6	Very high	97.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	140.5	167.8	0	0	0	0	0	111.2	F25 R105	F25-G136 VanDerWaalsContact O-CA 3.32Å; F25-G136 WeakPolarHBondContact O-CA 3.45Å; R105-G136 WeakPolarHBondContact CD-O 3.42Å; R105-G136 PolarHBondContact NH1-O 3.1Å
137	S	98.6	Very high	97.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.			trans	-51.8	137.8	-179.4	-43.2	0	0	0	0	111.4	F25 R105 A143 E146	F25-S137 WeakPolarHBondContact CB-OG 3.35Å; F25-S137 PolarHBondContact N-OG 2.82Å; F25-S137 VanDerWaalsContact N-OG 3.13Å; F25-S137 PolarHBondContact O-N 3.08Å; F25-S137 VanDerWaalsContact O-N 3.12Å; F25-S137 PolarHBondContact O-OG 3.31Å; R105-S137 VanDerWaalsContact CD-O 3.31Å; R105-S137 WeakPolarHBondContact CD-O 3.34Å; R105-S137 WeakPolarHBondContact CG-O 3.42Å; S137-A143 VanDerWaalsContact OG-CA 3.31Å; S137-A143 WeakPolarHBondContact OG-CA 3.33Å; S137-E146 WeakPolarHBondContact CA-OE2 3.14Å; S137-E146 VanDerWaalsContact CB-OE2 3.31Å; S137-E146 WeakPolarHBondContact CB-OE2 3.44Å; S137-E146 PolarHBondContact OG-OE2 3.49Å
138	D	97.8	Very high	97.7	Very high	102 Å²	102	47.2 Å²	47.2	55%	0.545	25%	0.249	S	C	.	.	S	Bend	trans	-92.7	-16.4	-176	60.7	1.3	0	0	0	114.1	S142	D138-S142 WeakPolarHBondContact OD1-CB 3.37Å; D138-S142 PolarHBondContact OD1-OG 3.05Å
139	S	97.8	Very high	97.8	Very high	45 Å²	45	44.2 Å²	44.2	32%	0.315	24%	0.236	S	C	.	.	S	Bend	trans	-146.4	162.3	177.1	76.2	0	0	0	0	110.7	E141 S142 A143	S139-E141 PolarHBondContact O-N 3.19Å; S139-E141 PolarHBondContact OG-N 2.93Å; S139-S142 PolarHBondContact O-N 3.39Å; S139-S142 WeakPolarHBondContact OG-CB 3.21Å; S139-S142 PolarHBondContact OG-N 3.27Å; S139-S142 PolarHBondContact OG-OG 3.08Å; S139-A143 WeakPolarHBondContact O-CB 3.37Å; S139-A143 PolarHBondContact O-N 3.33Å
140	V	97.6	Very high	97.9	Very high	55 Å²	55	40.9 Å²	40.9	33%	0.333	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-36.6	175	176.2	0	0	0	0	110.9	E22 V101 A143 Q144	E22-V140 HydrophobicContact CG-CG2 4.47Å; V101-V140 HydrophobicContact CG2-CG2 4.21Å; V140-A143 WeakPolarHBondContact O-CB 3.34Å; V140-A143 PolarHBondContact O-N 3.25Å; V140-Q144 WeakPolarHBondContact O-CG 3.34Å; V140-Q144 PolarHBondContact O-N 3Å
141	E	96.6	Very high	98	Very high	116 Å²	116	40 Å²	40	54%	0.542	20%	0.204	S	C	.	.	H	α-helix	trans	-67.6	-45	177.6	-169.4	-178.6	157.6	0	0	111.6	S139 A143 Q144 K145	S139-E141 PolarHBondContact O-N 3.19Å; S139-E141 PolarHBondContact OG-N 2.93Å; E141-A143 VanDerWaalsContact C-N 3.31Å; E141-A143 PolarHBondContact O-N 3.2Å; E141-Q144 PolarHBondContact O-N 3.22Å; E141-K145 WeakPolarHBondContact O-CG 3.48Å; E141-K145 PolarHBondContact O-N 3.49Å; E141-K145 VanDerWaalsContact O-N 3.1Å; E141-K145 WeakPolarHBondContact OE1-CE 3.48Å; E141-K145 IonicContact OE1-NZ 2.77Å; E141-K145 PolarHBondContact OE1-NZ 3.13Å
142	S	97	Very high	97.9	Very high	21 Å²	21	43.6 Å²	43.6	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-42.1	173.8	-55.1	0	0	0	0	110.9	D138 S139 Q144 K145 E146	D138-S142 WeakPolarHBondContact OD1-CB 3.37Å; D138-S142 PolarHBondContact OD1-OG 3.05Å; S139-S142 PolarHBondContact O-N 3.39Å; S139-S142 WeakPolarHBondContact OG-CB 3.21Å; S139-S142 PolarHBondContact OG-N 3.27Å; S139-S142 PolarHBondContact OG-OG 3.08Å; S142-Q144 VanDerWaalsContact C-N 3.33Å; S142-Q144 PolarHBondContact O-N 3.33Å; S142-K145 PolarHBondContact O-N 3.34Å; S142-E146 VanDerWaalsContact O-CB 3.31Å; S142-E146 WeakPolarHBondContact O-CB 3.45Å; S142-E146 WeakPolarHBondContact O-CG 3.4Å; S142-E146 PolarHBondContact O-N 3.02Å
143	A	98.3	Very high	97.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-43.1	176.2	0	0	0	0	0	112.2	R23 V101 S137 S139 V140 E141 E146 I147	R23-A143 WeakPolarHBondContact O-CB 3.18Å; V101-A143 HydrophobicContact CG2-CB 3.94Å; S137-A143 VanDerWaalsContact OG-CA 3.31Å; S137-A143 WeakPolarHBondContact OG-CA 3.33Å; S139-A143 WeakPolarHBondContact O-CB 3.37Å; S139-A143 PolarHBondContact O-N 3.33Å; V140-A143 WeakPolarHBondContact O-CB 3.34Å; V140-A143 PolarHBondContact O-N 3.25Å; E141-A143 VanDerWaalsContact C-N 3.31Å; E141-A143 PolarHBondContact O-N 3.2Å; A143-E146 PolarHBondContact O-N 3.49Å; A143-I147 WeakPolarHBondContact O-CB 3.37Å; A143-I147 WeakPolarHBondContact O-CD1 3.26Å; A143-I147 WeakPolarHBondContact O-CG1 3.4Å; A143-I147 PolarHBondContact O-N 3.22Å
144	Q	96.7	Very high	97.1	Very high	45 Å²	45	53.7 Å²	53.7	21%	0.21	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-48.7	175.5	-71.8	172.1	-2.7	0	0	112.4	W17 V140 E141 S142 C148	W17-Q144 HydrophobicContact CE3-CG 3.8Å; W17-Q144 HydrophobicContact CZ3-CB 4.38Å; W17-Q144 HydrophobicContact CZ3-CG 3.88Å; V140-Q144 WeakPolarHBondContact O-CG 3.34Å; V140-Q144 PolarHBondContact O-N 3Å; E141-Q144 PolarHBondContact O-N 3.22Å; S142-Q144 VanDerWaalsContact C-N 3.33Å; S142-Q144 PolarHBondContact O-N 3.33Å; Q144-C148 WeakPolarHBondContact O-CB 3.43Å; Q144-C148 PolarHBondContact O-N 2.89Å; Q144-C148 VanDerWaalsContact O-N 3.1Å; Q144-C148 PolarHBondContact O-SG 3.48Å
145	K	97	Very high	97	Very high	113 Å²	113	56.5 Å²	56.5	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-48	177.8	-68.2	171.4	-173.9	165.8	0	111.4	E141 S142 C148 L149	E141-K145 WeakPolarHBondContact O-CG 3.48Å; E141-K145 PolarHBondContact O-N 3.49Å; E141-K145 VanDerWaalsContact O-N 3.1Å; E141-K145 WeakPolarHBondContact OE1-CE 3.48Å; E141-K145 IonicContact OE1-NZ 2.77Å; E141-K145 PolarHBondContact OE1-NZ 3.13Å; S142-K145 PolarHBondContact O-N 3.34Å; K145-C148 PolarHBondContact O-N 3.13Å; K145-L149 VanDerWaalsContact O-CB 3.29Å; K145-L149 WeakPolarHBondContact O-CB 3.44Å; K145-L149 PolarHBondContact O-N 2.63Å
146	E	98.6	Very high	96.9	Very high	22 Å²	22	56.8 Å²	56.8	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-45.3	-178.7	-70.4	175.3	175.5	0	0	112	F25 H68 H135 S137 S142 A143 C148 L149 W150	F25-E146 HydrophobicContact CB-CB 3.79Å; F25-E146 HydrophobicContact CD1-CB 3.93Å; F25-E146 HydrophobicContact CD1-CG 4.42Å; F25-E146 VanDerWaalsContact CD1-OE2 3.29Å; F25-E146 WeakPolarHBondContact CD1-OE2 3.31Å; F25-E146 HydrophobicContact CG-CB 3.92Å; H68-E146 IonicContact CE1-OE1 2.87Å; H135-E146 IonicContact CD2-OE2 3.32Å; H135-E146 IonicContact CE1-OE1 3.55Å; H135-E146 PolarHBondContact CE1-OE1 3.25Å; H135-E146 IonicContact NE2-OE1 3.1Å; H135-E146 PolarHBondContact NE2-OE1 3.46Å; H135-E146 IonicContact NE2-OE2 2.83Å; H135-E146 PolarHBondContact NE2-OE2 3.1Å; H135-E146 VanDerWaalsContact NE2-OE2 3.14Å; S137-E146 WeakPolarHBondContact CA-OE2 3.14Å; S137-E146 VanDerWaalsContact CB-OE2 3.31Å; S137-E146 WeakPolarHBondContact CB-OE2 3.44Å; S137-E146 PolarHBondContact OG-OE2 3.49Å; S142-E146 VanDerWaalsContact O-CB 3.31Å; S142-E146 WeakPolarHBondContact O-CB 3.45Å; S142-E146 WeakPolarHBondContact O-CG 3.4Å; S142-E146 PolarHBondContact O-N 3.02Å; A143-E146 PolarHBondContact O-N 3.49Å; E146-C148 VanDerWaalsContact C-N 3.35Å; E146-C148 PolarHBondContact O-N 3.05Å; E146-L149 PolarHBondContact O-N 2.99Å; E146-W150 WeakPolarHBondContact O-CB 3.47Å; E146-W150 PolarHBondContact O-N 3.28Å
147	I	98.5	Very high	96.8	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-61.9	-45.1	178.5	-66.9	165.1	0	0	0	110.5	W17 R23 F25 V94 A143 L149 W150 F151 L156	W17-I147 HydrophobicContact CE3-CD1 4.11Å; W17-I147 HydrophobicContact CH2-CB 3.77Å; W17-I147 HydrophobicContact CH2-CD1 3.82Å; W17-I147 HydrophobicContact CH2-CG1 4.38Å; W17-I147 HydrophobicContact CH2-CG2 3.47Å; W17-I147 VanDerWaalsContact CH2-CG2 3.47Å; W17-I147 HydrophobicContact CZ2-CG2 4.26Å; W17-I147 HydrophobicContact CZ3-CB 3.97Å; W17-I147 HydrophobicContact CZ3-CD1 3.4Å; W17-I147 HydrophobicContact CZ3-CG1 4.24Å; W17-I147 HydrophobicContact CZ3-CG2 4.16Å; R23-I147 HydrophobicContact CB-CD1 3.71Å; F25-I147 HydrophobicContact CB-CG1 3.88Å; V94-I147 HydrophobicContact CG1-CD1 3.64Å; V94-I147 HydrophobicContact CG1-CG1 4.04Å; V94-I147 HydrophobicContact CG1-CG2 4.45Å; V94-I147 HydrophobicContact CG2-CG1 3.98Å; V94-I147 HydrophobicContact CG2-CG2 4.03Å; A143-I147 WeakPolarHBondContact O-CB 3.37Å; A143-I147 WeakPolarHBondContact O-CD1 3.26Å; A143-I147 WeakPolarHBondContact O-CG1 3.4Å; A143-I147 PolarHBondContact O-N 3.22Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 2.95Å; I147-W150 PolarHBondContact O-N 3.35Å; I147-F151 WeakPolarHBondContact O-CB 3.45Å; I147-F151 PolarHBondContact O-N 3.38Å; I147-L156 HydrophobicContact CG2-CD1 4Å; I147-L156 HydrophobicContact CG2-CD2 4.11Å
148	C	97.5	Very high	96.7	Very high	77 Å²	77	73 Å²	73	52%	0.52	36%	0.364	S	S	.	.	H	α-helix	trans	-65	-33.6	177.8	-71.7	0	0	0	0	113.1	Q144 K145 E146	Q144-C148 WeakPolarHBondContact O-CB 3.43Å; Q144-C148 PolarHBondContact O-N 2.89Å; Q144-C148 VanDerWaalsContact O-N 3.1Å; Q144-C148 PolarHBondContact O-SG 3.48Å; K145-C148 PolarHBondContact O-N 3.13Å; E146-C148 VanDerWaalsContact C-N 3.35Å; E146-C148 PolarHBondContact O-N 3.05Å
149	L	98.3	Very high	96.6	Very high	67 Å²	67	74 Å²	74	35%	0.351	36%	0.36	S	S	.	.	H	α-helix	trans	-71.4	-41.5	177.2	179.2	63.7	0	0	0	111.7	L64 E67 H68 K145 E146 I147	L64-L149 HydrophobicContact CD1-CD1 3.76Å; L64-L149 HydrophobicContact CD1-CD2 4.22Å; L64-L149 HydrophobicContact CD1-CG 3.64Å; E67-L149 HydrophobicContact CB-CD1 4.09Å; E67-L149 HydrophobicContact CB-CD2 4.14Å; H68-L149 HydrophobicContact CB-CD2 3.77Å; K145-L149 VanDerWaalsContact O-CB 3.29Å; K145-L149 WeakPolarHBondContact O-CB 3.44Å; K145-L149 PolarHBondContact O-N 2.63Å; E146-L149 PolarHBondContact O-N 2.99Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 2.95Å
150	W	98.6	Very high	96.4	Very high	7 Å²	7	80.8 Å²	80.8	3%	0.027	39%	0.387	C	S	.	.	H	α-helix	trans	-91	-25.4	-172.5	-75	77	0	0	0	114	F25 K56 I58 A60 L64 L65 H68 V90 A92 E146 I147	F25-W150 HydrophobicContact CD2-CB 4.19Å; F25-W150 HydrophobicContact CD2-CG 4.25Å; F25-W150 HydrophobicContact CE1-CD2 4.32Å; F25-W150 HydrophobicContact CE1-CG 4.39Å; F25-W150 AromaticContact CE1-NE1 3.98Å; F25-W150 HydrophobicContact CE2-CB 3.58Å; F25-W150 AromaticContact CE2-CD1 3.89Å; F25-W150 AromaticContact CE2-CD2 3.66Å; F25-W150 HydrophobicContact CE2-CD2 3.66Å; F25-W150 HydrophobicContact CE2-CE3 4.1Å; F25-W150 AromaticContact CE2-CG 3.42Å; F25-W150 HydrophobicContact CE2-CG 3.42Å; F25-W150 VanDerWaalsContact CE2-CG 3.42Å; F25-W150 HydrophobicContact CZ-CB 4.2Å; F25-W150 AromaticContact CZ-CD1 3.73Å; F25-W150 AromaticContact CZ-CD2 3.34Å; F25-W150 HydrophobicContact CZ-CD2 3.34Å; F25-W150 AromaticContact CZ-CE2 3.51Å; F25-W150 AromaticContact CZ-CE3 3.81Å; F25-W150 HydrophobicContact CZ-CE3 3.81Å; F25-W150 AromaticContact CZ-CG 3.51Å; F25-W150 HydrophobicContact CZ-CG 3.51Å; F25-W150 HydrophobicContact CZ-CZ2 4.12Å; F25-W150 HydrophobicContact CZ-CZ3 4.37Å; F25-W150 AromaticContact CZ-NE1 3.71Å; K56-W150 WeakPolarHBondContact CE-O 3.3Å; K56-W150 PolarHBondContact NZ-O 3.02Å; I58-W150 HydrophobicContact CD1-CE3 3.83Å; I58-W150 HydrophobicContact CD1-CZ3 3.69Å; I58-W150 HydrophobicContact CG1-CZ3 4.37Å; A60-W150 HydrophobicContact CB-CH2 3.94Å; A60-W150 HydrophobicContact CB-CZ3 4.15Å; L64-W150 HydrophobicContact CD2-CD2 4.37Å; L64-W150 HydrophobicContact CD2-CE3 4.2Å; L64-W150 HydrophobicContact CD2-CH2 4.48Å; L64-W150 HydrophobicContact CD2-CZ3 4.26Å; L65-W150 HydrophobicContact CD2-CH2 4.07Å; L65-W150 HydrophobicContact CD2-CZ2 4.15Å; H68-W150 HydrophobicContact CB-CZ2 4.4Å; H68-W150 AromaticContact CE1-NE1 3.82Å; H68-W150 AromaticContact CG-NE1 3.54Å; H68-W150 AromaticContact ND1-NE1 3.19Å; H68-W150 PolarHBondContact ND1-NE1 2.98Å; H68-W150 VanDerWaalsContact ND1-NE1 3.19Å; V90-W150 HydrophobicContact CG1-CH2 4.42Å; V90-W150 HydrophobicContact CG1-CZ3 4.24Å; A92-W150 HydrophobicContact CB-CE3 3.81Å; A92-W150 HydrophobicContact CB-CZ3 4.25Å; E146-W150 WeakPolarHBondContact O-CB 3.47Å; E146-W150 PolarHBondContact O-N 3.28Å; I147-W150 PolarHBondContact O-N 3.35Å
151	F	98.2	Very high	96.2	Very high	12 Å²	12	79.4 Å²	79.4	5%	0.053	38%	0.38	C	S	.	.			trans	-129.2	133.9	-174.9	-68.2	-88.8	0	0	0	112.5	F25 A54 K56 A92 V94 I147 E155 L156	F25-F151 HydrophobicContact CD2-CE2 4.07Å; F25-F151 AromaticContact CE2-CE2 3.99Å; F25-F151 HydrophobicContact CE2-CE2 3.99Å; A54-F151 HydrophobicContact CB-CD1 3.82Å; A54-F151 HydrophobicContact CB-CE1 3.62Å; A54-F151 HydrophobicContact CB-CG 4.43Å; A54-F151 HydrophobicContact CB-CZ 4.09Å; K56-F151 HydrophobicContact CD-CD1 4.28Å; K56-F151 HydrophobicContact CD-CE1 3.86Å; K56-F151 HydrophobicContact CG-CE1 3.76Å; K56-F151 HydrophobicContact CG-CZ 4.09Å; A92-F151 HydrophobicContact CB-CE2 4Å; A92-F151 HydrophobicContact CB-CZ 3.81Å; V94-F151 HydrophobicContact CG2-CD2 3.57Å; V94-F151 HydrophobicContact CG2-CE2 3.52Å; V94-F151 HydrophobicContact CG2-CG 4.26Å; V94-F151 HydrophobicContact CG2-CZ 4.17Å; I147-F151 WeakPolarHBondContact O-CB 3.45Å; I147-F151 PolarHBondContact O-N 3.38Å; F151-E155 WeakPolarHBondContact CA-OE2 3.29Å; F151-E155 HydrophobicContact CB-CB 4.43Å; F151-E155 HydrophobicContact CD1-CB 3.88Å; F151-L156 HydrophobicContact CB-CD2 4.08Å; F151-L156 HydrophobicContact CG-CD2 4.34Å
152	R	95.8	Very high	96.2	Very high	201 Å²	201	79.3 Å²	79.3	76%	0.758	39%	0.392	S	S	*	.			trans	-71.5	154.7	165.9	-59.2	176.6	-177.6	176.3	0.8	109.3	G154 E155	R152-G154 PolarHBondContact O-N 2.97Å; R152-G154 VanDerWaalsContact O-N 3.15Å; R152-E155 HydrophobicContact CB-CG 4.21Å; R152-E155 WeakPolarHBondContact CB-OE2 3.28Å; R152-E155 PolarHBondContact N-OE2 3.36Å; R152-E155 WeakPolarHBondContact O-CB 3.37Å; R152-E155 PolarHBondContact O-N 3.4Å
153	Q	86.8	Confident	96	Very high	146 Å²	146	80.9 Å²	80.9	68%	0.682	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-57.7	-34.9	-177.3	-140.2	178	18.8	0	0	113.4	E155 L156	Q153-E155 VanDerWaalsContact C-N 3.27Å; Q153-E155 PolarHBondContact O-N 2.83Å; Q153-L156 PolarHBondContact O-N 3.43Å
154	G	92.9	Very high	95.6	Very high	71 Å²	71	84 Å²	84	73%	0.732	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-74.3	-9.7	176.6	0	0	0	0	0	115.3	R152	R152-G154 PolarHBondContact O-N 2.97Å; R152-G154 VanDerWaalsContact O-N 3.15Å
155	E	97.4	Very high	95.5	Very high	58 Å²	58	88.3 Å²	88.3	27%	0.271	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-88	-7.7	174.7	-60.9	177.7	97.2	0	0	112.2	A54 K56 F151 R152 Q153 H157	A54-E155 VanDerWaalsContact CB-O 3.25Å; A54-E155 WeakPolarHBondContact CB-O 3.2Å; K56-E155 WeakPolarHBondContact CD-OE1 3.41Å; K56-E155 IonicContact NZ-OE1 3.48Å; K56-E155 PolarHBondContact NZ-OE1 3.1Å; K56-E155 IonicContact NZ-OE2 3.14Å; K56-E155 PolarHBondContact NZ-OE2 2.9Å; K56-E155 VanDerWaalsContact NZ-OE2 3.1Å; F151-E155 WeakPolarHBondContact CA-OE2 3.29Å; F151-E155 HydrophobicContact CB-CB 4.43Å; F151-E155 HydrophobicContact CD1-CB 3.88Å; R152-E155 HydrophobicContact CB-CG 4.21Å; R152-E155 WeakPolarHBondContact CB-OE2 3.28Å; R152-E155 PolarHBondContact N-OE2 3.36Å; R152-E155 WeakPolarHBondContact O-CB 3.37Å; R152-E155 PolarHBondContact O-N 3.4Å; Q153-E155 VanDerWaalsContact C-N 3.27Å; Q153-E155 PolarHBondContact O-N 2.83Å; E155-H157 PolarHBondContact O-CD2 3Å
156	L	97.3	Very high	95.4	Very high	32 Å²	32	94.1 Å²	94.1	17%	0.168	46%	0.462	C	S	.	.	S	Bend	trans	-96.3	111.2	178.2	-58.5	-179	0	0	0	110.7	W17 A54 V94 I147 F151 Q153	W17-L156 HydrophobicContact CZ2-CD1 4.1Å; A54-L156 HydrophobicContact CB-CD2 3.68Å; V94-L156 HydrophobicContact CB-CD2 4.29Å; V94-L156 HydrophobicContact CG1-CD2 4.46Å; V94-L156 HydrophobicContact CG2-CD2 3.92Å; I147-L156 HydrophobicContact CG2-CD1 4Å; I147-L156 HydrophobicContact CG2-CD2 4.11Å; F151-L156 HydrophobicContact CB-CD2 4.08Å; F151-L156 HydrophobicContact CG-CD2 4.34Å; Q153-L156 PolarHBondContact O-N 3.43Å
157	H	96.6	Very high	95.3	Very high	115 Å²	115	96.4 Å²	96.4	53%	0.532	47%	0.474	S	S	.	.			trans	-89	137.1	-176.3	-62.3	-80.2	0	0	0	112.6	V53 E155	V53-H157 PolarHBondContact O-N 3.18Å; E155-H157 PolarHBondContact O-CD2 3Å
158	R	94.8	Very high	95	Very high	228 Å²	228	102.2 Å²	102.2	86%	0.86	50%	0.497	S	S	*	.			trans	-105.8	120.8	168	-62.4	-179.1	-175.6	180	-0.2	107.9
159	W	95.9	Very high	94.9	Very high	123 Å²	123	103.5 Å²	103.5	47%	0.466	50%	0.495	S	S	.	.			trans	-147.4	162.2	-178.9	60.7	-85	0	0	0	110.2	K51 L52	K51-W159 HydrophobicContact CD-CZ2 4.26Å; K51-W159 WeakPolarHBondContact CE-O 3.47Å; K51-W159 HydrophobicContact CG-CH2 4.06Å; K51-W159 HydrophobicContact CG-CZ2 3.39Å; K51-W159 PolarHBondContact NZ-O 2.72Å; L52-W159 PolarHBondContact O-NE1 2.86Å
160	E	94.7	Very high	94.7	Very high	187 Å²	187	105.4 Å²	105.4	87%	0.874	50%	0.503	S	S	*	.			trans	-93.6	126.7	179.4	-69.9	-178.9	-179	0	0	111.1
161	S	94	Very high	94.5	Very high	26 Å²	26	110.9 Å²	110.9	18%	0.182	53%	0.53	C	S	.	.			trans	-90	110.6	176.3	-174.5	0	0	0	0	109	P163 N164	S161-P163 VanDerWaalsContact C-CD 3.43Å; S161-P163 VanDerWaalsContact C-N 3.35Å; S161-P163 WeakPolarHBondContact OG-CD 3.24Å; S161-P163 WeakPolarHBondContact OG-CG 3.4Å; S161-N164 WeakPolarHBondContact O-CB 3.25Å; S161-N164 PolarHBondContact O-N 3.04Å
162	S	95	Very high	94.3	Very high	113 Å²	113	116.7 Å²	116.7	79%	0.79	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-36.9	178.6	58.5	0	0	0	0	115	N164	S162-N164 PolarHBondContact O-N 3.31Å
163	P	93	Very high	94.2	Very high	55 Å²	55	111.4 Å²	111.4	36%	0.357	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	1.1	177.5	31.7	-38.9	0	0	0	114.3	S161 N165 W166 I167	S161-P163 VanDerWaalsContact C-CD 3.43Å; S161-P163 VanDerWaalsContact C-N 3.35Å; S161-P163 WeakPolarHBondContact OG-CD 3.24Å; S161-P163 WeakPolarHBondContact OG-CG 3.4Å; P163-N165 VanDerWaalsContact C-N 3.28Å; P163-N165 PolarHBondContact O-N 3.45Å; P163-W166 PolarHBondContact O-N 3.12Å; P163-I167 HydrophobicContact CB-CD1 4.04Å; P163-I167 HydrophobicContact CG-CD1 4.12Å; P163-I167 PolarHBondContact O-N 3.01Å
164	N	91.2	Very high	94.7	Very high	65 Å²	65	109.1 Å²	109.1	35%	0.348	54%	0.536	S	S	.	.	H	α-helix	trans	-56.3	-39.8	-171	-165.8	75.7	0	0	0	113.3	S161 S162 W166 I167 Y168	S161-N164 WeakPolarHBondContact O-CB 3.25Å; S161-N164 PolarHBondContact O-N 3.04Å; S162-N164 PolarHBondContact O-N 3.31Å; N164-W166 PolarHBondContact O-N 2.85Å; N164-I167 PolarHBondContact O-N 3.23Å; N164-I167 VanDerWaalsContact O-N 3.15Å; N164-Y168 PolarHBondContact O-N 3.17Å; N164-Y168 VanDerWaalsContact OD1-CD2 3.26Å; N164-Y168 WeakPolarHBondContact OD1-CD2 3.18Å; N164-Y168 WeakPolarHBondContact OD1-CE2 3.3Å
165	N	92.9	Very high	94.8	Very high	136 Å²	136	111.9 Å²	111.9	73%	0.727	52%	0.522	S	S	*	.	H	α-helix	trans	-71	-5.6	178.8	-62.9	-12.2	0	0	0	114.3	P163	P163-N165 VanDerWaalsContact C-N 3.28Å; P163-N165 PolarHBondContact O-N 3.45Å
166	W	96.5	Very high	94.6	Very high	235 Å²	235	116 Å²	116	89%	0.89	54%	0.541	S	S	*	.	H	α-helix	trans	-109.9	-7.5	175.7	-55.7	106.1	0	0	0	112.2	P163 N164	P163-W166 PolarHBondContact O-N 3.12Å; N164-W166 PolarHBondContact O-N 2.85Å
167	I	96.3	Very high	94.4	Very high	70 Å²	70	123 Å²	123	36%	0.359	57%	0.572	S	S	.	*	H	α-helix	trans	-102.3	-37.4	178.6	-65.2	167.2	0	0	0	110.4	P163 N164	P163-I167 HydrophobicContact CB-CD1 4.04Å; P163-I167 HydrophobicContact CG-CD1 4.12Å; P163-I167 PolarHBondContact O-N 3.01Å; N164-I167 PolarHBondContact O-N 3.23Å; N164-I167 VanDerWaalsContact O-N 3.15Å
168	Y	92.2	Very high	94.2	Very high	123 Å²	123	123.7 Å²	123.7	48%	0.482	58%	0.576	S	S	.	*			trans	-121	0	178.7	-53.6	-67	0	0	0	111.8	V20 G97 L98 N164	V20-Y168 HydrophobicContact CB-CD2 4.49Å; V20-Y168 HydrophobicContact CB-CE1 4.48Å; V20-Y168 HydrophobicContact CB-CE2 4.26Å; V20-Y168 HydrophobicContact CG1-CD1 3.72Å; V20-Y168 HydrophobicContact CG1-CD2 4.1Å; V20-Y168 HydrophobicContact CG1-CE1 3.83Å; V20-Y168 HydrophobicContact CG1-CE2 4.2Å; V20-Y168 HydrophobicContact CG1-CG 3.85Å; G97-Y168 VanDerWaalsContact CA-OH 3.22Å; G97-Y168 WeakPolarHBondContact CA-OH 3.26Å; L98-Y168 HydrophobicContact CB-CD1 4.44Å; L98-Y168 HydrophobicContact CB-CE1 3.62Å; L98-Y168 PolarHBondContact N-OH 2.87Å; L98-Y168 VanDerWaalsContact N-OH 3.15Å; N164-Y168 PolarHBondContact O-N 3.17Å; N164-Y168 VanDerWaalsContact OD1-CD2 3.26Å; N164-Y168 WeakPolarHBondContact OD1-CD2 3.18Å; N164-Y168 WeakPolarHBondContact OD1-CE2 3.3Å

Retrieved 168 of 168 residues in 134.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).