A0A077ZLL0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLL0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	44.7	Very low	247 Å²	247	151.2 Å²	151.2	100%	1.217	84%	0.841	S	S	*	*				0	108.1	0	-74.2	169.7	77.4	0	0	107.8
2	S	37.7	Very low	44.6	Very low	111 Å²	111	150.8 Å²	150.8	78%	0.776	84%	0.835	S	S	*	*			trans	-65.6	140.5	171.7	168.3	0	0	0	0	109.4
3	L	47.5	Very low	44.6	Very low	152 Å²	152	149.9 Å²	149.9	80%	0.796	84%	0.837	S	S	*	*			trans	171.5	5.1	142.4	-112.1	91.1	0	0	0	115.3
4	G	46	Very low	44.8	Very low	69 Å²	69	144.9 Å²	144.9	71%	0.711	82%	0.824	S	S	*	*	S	Bend	trans	-87.6	-16.7	-169.7	0	0	0	0	0	118.2
5	I	51.7	Low	45	Very low	156 Å²	156	141.4 Å²	141.4	80%	0.8	82%	0.82	S	S	*	*	S	Bend	trans	-93	-5	-164.4	-57.7	176.9	0	0	0	113.2	Y7	I5-Y7 PolarHBondContact O-N 3.36Å
6	L	44.4	Very low	45	Very low	168 Å²	168	143.5 Å²	143.5	88%	0.88	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	28.8	-172.7	-137.5	85	0	0	0	115.7
7	Y	43.9	Very low	45.2	Very low	212 Å²	212	141.2 Å²	141.2	83%	0.831	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	10.1	179.5	-83.8	-75.6	0	0	0	115.5	I5	I5-Y7 PolarHBondContact O-N 3.36Å
8	I	48.9	Very low	45.6	Very low	151 Å²	151	137.6 Å²	137.6	77%	0.774	78%	0.783	S	S	*	*	S	Bend	trans	-91.7	-13.1	-176.4	-60.3	-178.2	0	0	0	114
9	L	45.7	Very low	46.3	Very low	172 Å²	172	136.3 Å²	136.3	90%	0.901	78%	0.784	S	S	*	*	S	Bend	trans	-104.6	7.2	-168.1	-96.8	104.7	0	0	0	118.5
10	A	42.5	Very low	47.6	Very low	88 Å²	88	131.4 Å²	131.4	73%	0.727	76%	0.755	S	S	*	*	S	Bend	trans	-126.7	53	-170.3	0	0	0	0	0	115.2
11	T	46.1	Very low	48.6	Very low	137 Å²	137	126.3 Å²	126.3	84%	0.84	73%	0.726	S	S	*	*			trans	-166.9	70.7	152.8	48.2	0	0	0	0	110.6
12	L	43	Very low	50.5	Low	147 Å²	147	118.6 Å²	118.6	77%	0.77	69%	0.686	S	S	*	*			trans	-131.5	33.8	171.2	-142.1	96	0	0	0	113.9
13	T	44.7	Very low	52.3	Low	139 Å²	139	115.7 Å²	115.7	85%	0.853	67%	0.668	S	S	*	*			trans	-119	38.9	168.3	54.4	0	0	0	0	111	A15	T13-A15 VanDerWaalsContact C-N 3.3Å; T13-A15 PolarHBondContact O-N 3.42Å; T13-A15 VanDerWaalsContact O-N 3.09Å
14	A	46.7	Very low	53.6	Low	80 Å²	80	110.8 Å²	110.8	66%	0.661	64%	0.642	S	S	*	*			trans	-70	101.4	152.3	0	0	0	0	0	105.3	F16	A14-F16 WeakPolarHBondContact O-CD2 3.36Å; A14-F16 PolarHBondContact O-N 3.2Å
15	A	48.4	Very low	54.9	Low	92 Å²	92	111.3 Å²	111.3	76%	0.76	63%	0.632	S	S	*	*			trans	-46.5	108	172.7	0	0	0	0	0	107.9	T13 L17	T13-A15 VanDerWaalsContact C-N 3.3Å; T13-A15 PolarHBondContact O-N 3.42Å; T13-A15 VanDerWaalsContact O-N 3.09Å; A15-L17 PolarHBondContact O-N 3.05Å
16	F	45.6	Very low	55.7	Low	175 Å²	175	105.9 Å²	105.9	77%	0.768	61%	0.606	S	S	*	*			trans	-66.3	86.8	176.4	-70.8	-90.4	0	0	0	106.7	A14 P18	A14-F16 WeakPolarHBondContact O-CD2 3.36Å; A14-F16 PolarHBondContact O-N 3.2Å; F16-P18 WeakPolarHBondContact O-CD 3.43Å; F16-P18 VanDerWaalsContact O-N 3.15Å
17	L	47.4	Very low	57.1	Low	105 Å²	105	103.5 Å²	103.5	55%	0.55	59%	0.588	S	S	.	*			trans	-55.1	120.4	157.1	-72.5	168.8	0	0	0	104.8	A15 S19	A15-L17 PolarHBondContact O-N 3.05Å; L17-S19 PolarHBondContact O-N 3.45Å; L17-S19 VanDerWaalsContact O-N 3.14Å
18	P	52.9	Low	58.3	Low	75 Å²	75	93.6 Å²	93.6	49%	0.487	55%	0.55	S	S	.	.			trans	-51.1	129.8	175	18.1	-27.6	0	0	0	106.9	F16 D20 V21	F16-P18 WeakPolarHBondContact O-CD 3.43Å; F16-P18 VanDerWaalsContact O-N 3.15Å; P18-D20 PolarHBondContact O-N 3.06Å; P18-V21 HydrophobicContact CG-CG2 4.14Å; P18-V21 PolarHBondContact O-N 3.13Å
19	S	59.7	Low	59.1	Low	113 Å²	113	86.8 Å²	86.8	79%	0.79	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-7.8	-163	55.4	0	0	0	0	116.5	L17	L17-S19 PolarHBondContact O-N 3.45Å; L17-S19 VanDerWaalsContact O-N 3.14Å
20	D	70.6	Confident	59.8	Low	39 Å²	39	83.1 Å²	83.1	21%	0.209	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-18.5	-177.8	-57.6	-35.7	0	0	0	113.4	P18 K22 Y43 E70 R71	P18-D20 PolarHBondContact O-N 3.06Å; D20-K22 PolarHBondContact O-N 3.29Å; D20-Y43 VanDerWaalsContact O-CE1 3.26Å; D20-Y43 WeakPolarHBondContact O-CE1 3.41Å; D20-E70 WeakPolarHBondContact CB-OE1 2.78Å; D20-R71 IonicContact OD1-CZ 3.36Å; D20-R71 IonicContact OD1-NE 3.36Å; D20-R71 PolarHBondContact OD1-NE 3.49Å; D20-R71 IonicContact OD1-NH2 3.83Å; D20-R71 PolarHBondContact OD1-NH2 3.42Å
21	V	69.9	Low	60.5	Low	24 Å²	24	80.3 Å²	80.3	15%	0.145	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-82.9	118.1	178.5	-176.1	0	0	0	0	110	P18 Y68 E70	P18-V21 HydrophobicContact CG-CG2 4.14Å; P18-V21 PolarHBondContact O-N 3.13Å; V21-Y68 HydrophobicContact CG1-CD1 4.17Å; V21-E70 WeakPolarHBondContact CG2-OE2 3.41Å
22	K	76.7	Confident	61.3	Low	85 Å²	85	79.7 Å²	79.7	37%	0.37	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.5	174.1	-67.4	179.6	179.9	169.5	0	109.9	D20 P40 Y43 C69	D20-K22 PolarHBondContact O-N 3.29Å; K22-P40 HydrophobicContact CD-CG 3.79Å; K22-Y43 HydrophobicContact CD-CD1 4.14Å; K22-Y43 HydrophobicContact CD-CE1 3.83Å; K22-Y43 HydrophobicContact CD-CE2 4.29Å; K22-Y43 VanDerWaalsContact CE-CZ 3.44Å; K22-Y43 WeakPolarHBondContact CE-OH 3.48Å; K22-Y43 HydrophobicContact CG-CD1 4.44Å; K22-Y43 HydrophobicContact CG-CE1 4.07Å; K22-Y43 VanDerWaalsContact NZ-CZ 3.32Å; K22-Y43 PolarHBondContact NZ-OH 3.41Å; K22-C69 HydrophobicContact CB-CB 4.24Å; K22-C69 PolarHBondContact N-O 3.44Å; K22-C69 WeakPolarHBondContact O-CB 3.25Å; K22-C69 PolarHBondContact O-N 3.21Å
23	A	75.7	Confident	62.3	Low	50 Å²	50	75.6 Å²	75.6	41%	0.413	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.3	172.7	0	0	0	0	0	110.8	T66 V67 Y68	A23-T66 HydrophobicContact CB-CG2 4.46Å; A23-V67 CarbonylContact C-O 3.58Å; A23-V67 WeakPolarHBondContact CA-O 3.3Å; A23-Y68 HydrophobicContact CB-CD1 3.84Å; A23-Y68 HydrophobicContact CB-CE1 3.91Å
24	I	74.9	Confident	62.9	Low	49 Å²	49	72.5 Å²	72.5	25%	0.251	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.9	172.8	-54.5	171.1	0	0	0	107.6	V26 I37 T38 T66 V67	I24-V26 HydrophobicContact CG2-CG2 4.45Å; I24-I37 HydrophobicContact CB-CG2 3.88Å; I24-I37 HydrophobicContact CD1-CG2 4.16Å; I24-I37 HydrophobicContact CG2-CG2 3.66Å; I24-T38 WeakPolarHBondContact CD1-O 3.3Å; I24-T66 CarbonylContact O-C 3.59Å; I24-T66 WeakPolarHBondContact O-CA 3.4Å; I24-V67 PolarHBondContact N-O 3.27Å; I24-V67 PolarHBondContact O-N 3.13Å
25	V	72.7	Confident	63.7	Low	81 Å²	81	69.7 Å²	69.7	49%	0.491	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.5	-177.8	-173.7	0	0	0	0	109.4	L64 L65 T66	V25-L64 HydrophobicContact CG1-CD1 3.34Å; V25-L64 HydrophobicContact CG1-CD2 3.9Å; V25-L64 HydrophobicContact CG1-CG 3.49Å; V25-L64 VanDerWaalsContact CG1-CG 3.49Å; V25-L65 CarbonylContact C-O 3.47Å; V25-L65 WeakPolarHBondContact CA-O 3.46Å; V25-T66 HydrophobicContact CG2-CG2 3.85Å
26	V	70.2	Confident	64.5	Low	41 Å²	41	72 Å²	72	25%	0.248	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124	175.8	177.6	0	0	0	0	109.8	I24 I37 L65	I24-V26 HydrophobicContact CG2-CG2 4.45Å; V26-I37 HydrophobicContact CB-CD1 3.7Å; V26-I37 HydrophobicContact CB-CG1 4.12Å; V26-I37 HydrophobicContact CG2-CD1 3.58Å; V26-I37 HydrophobicContact CG2-CG1 3.56Å; V26-L65 PolarHBondContact N-O 3.02Å; V26-L65 PolarHBondContact O-N 3.46Å
27	K	72	Confident	65.4	Low	118 Å²	118	63.8 Å²	63.8	51%	0.513	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.6	167.3	-174.1	178	177.6	-179.1	0	109.2	D62 Y63 L64	K27-D62 WeakPolarHBondContact CE-OD2 3.39Å; K27-D62 IonicContact NZ-OD2 3.21Å; K27-D62 PolarHBondContact NZ-OD2 3.43Å; K27-D62 VanDerWaalsContact NZ-OD2 3.17Å; K27-Y63 CarbonylContact C-O 3.56Å; K27-Y63 WeakPolarHBondContact CA-O 3.24Å; K27-L64 HydrophobicContact CB-CD1 4.27Å
28	H	69.1	Low	66.3	Low	4 Å²	4	61.2 Å²	61.2	2%	0.019	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.2	174.7	74.3	77.9	0	0	0	112.1	D33 Y35 D62 Y63 R120	H28-D33 HydrophobicContact CB-CB 4.1Å; H28-Y35 HydrophobicContact CB-CD1 3.68Å; H28-Y35 HydrophobicContact CB-CE1 4.11Å; H28-Y35 AromaticContact CD2-CD1 3.74Å; H28-Y35 AromaticContact CD2-CE1 3.35Å; H28-Y35 WeakPolarHBondContact CD2-CE1 3.25Å; H28-Y35 AromaticContact CD2-CZ 3.97Å; H28-Y35 AromaticContact CE1-CE1 3.86Å; H28-Y35 AromaticContact CG-CD1 3.64Å; H28-Y35 AromaticContact CG-CE1 3.52Å; H28-Y35 AromaticContact ND1-CE1 3.84Å; H28-Y35 AromaticContact NE2-CE1 3.56Å; H28-Y35 AromaticContact NE2-CZ 3.97Å; H28-D62 CarbonylContact O-C 3.57Å; H28-D62 WeakPolarHBondContact O-CA 3.08Å; H28-Y63 AromaticContact CE1-CD2 3.41Å; H28-Y63 VanDerWaalsContact CE1-CD2 3.41Å; H28-Y63 WeakPolarHBondContact CE1-CD2 3.21Å; H28-Y63 AromaticContact CE1-CG 3.68Å; H28-Y63 PolarHBondContact N-O 3.5Å; H28-Y63 AromaticContact ND1-CD2 3.88Å; H28-Y63 PolarHBondContact O-N 3.27Å; H28-R120 PolarHBondContact CE1-NH1 3.18Å; H28-R120 PolarHBondContact ND1-NH1 3.13Å
29	S	65.9	Low	66.9	Low	9 Å²	9	58.2 Å²	58.2	6%	0.063	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.2	-180	-38.5	0	0	0	0	109.3	F32 D33 R60 T61 D62 R120	S29-F32 PolarHBondContact O-N 2.99Å; S29-F32 VanDerWaalsContact O-N 3.11Å; S29-D33 WeakPolarHBondContact CA-OD2 3.18Å; S29-D33 WeakPolarHBondContact CB-OD2 3.37Å; S29-D33 PolarHBondContact N-OD2 2.93Å; S29-D33 WeakPolarHBondContact O-CB 3.42Å; S29-D33 PolarHBondContact O-N 2.82Å; S29-D33 PolarHBondContact OG-OD2 3.41Å; S29-R60 PolarHBondContact OG-NH2 3.36Å; S29-T61 CarbonylContact C-O 3.58Å; S29-D62 VanDerWaalsContact CB-OD1 3.3Å; S29-D62 WeakPolarHBondContact CB-OD1 2.95Å; S29-D62 PolarHBondContact OG-OD1 2.86Å; S29-D62 VanDerWaalsContact OG-OD1 3.13Å; S29-R120 PolarHBondContact O-NH2 2.86Å
30	F	60.4	Low	67.3	Low	95 Å²	95	55.2 Å²	55.2	42%	0.417	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.6	167.8	-179.1	-95.5	0	0	0	110.6	R60 T61 Y63	F30-R60 WeakPolarHBondContact O-CA 2.96Å; F30-T61 PolarHBondContact N-O 2.67Å; F30-T61 PolarHBondContact O-N 3.33Å; F30-Y63 HydrophobicContact CB-CD2 4.15Å; F30-Y63 HydrophobicContact CB-CE2 3.56Å; F30-Y63 HydrophobicContact CG-CE2 4.44Å
31	P	57.7	Low	67.1	Low	29 Å²	29	61.7 Å²	61.7	19%	0.188	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	cis	-91.1	2.8	-2.1	35.1	-36.8	0	0	0	115.3	G122 M123	P31-G122 WeakPolarHBondContact O-CA 3.37Å; P31-M123 HydrophobicContact CB-CG 4.42Å
32	F	62.3	Low	67	Low	123 Å²	123	65.5 Å²	65.5	54%	0.539	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-41.7	-162.8	-48	-69.6	0	0	0	114.3	S29 R60	S29-F32 PolarHBondContact O-N 2.99Å; S29-F32 VanDerWaalsContact O-N 3.11Å; F32-R60 HydrophobicContact CD2-CG 4.38Å; F32-R60 HydrophobicContact CE2-CB 4.01Å; F32-R60 HydrophobicContact CE2-CG 4Å
33	D	63.8	Low	66.7	Low	62 Å²	62	62.2 Å²	62.2	33%	0.332	31%	0.312	S	S	.	.			trans	-81.6	139.2	-165.7	-65.9	-14.5	0	0	0	111.8	H28 S29 R120	H28-D33 HydrophobicContact CB-CB 4.1Å; S29-D33 WeakPolarHBondContact CA-OD2 3.18Å; S29-D33 WeakPolarHBondContact CB-OD2 3.37Å; S29-D33 PolarHBondContact N-OD2 2.93Å; S29-D33 WeakPolarHBondContact O-CB 3.42Å; S29-D33 PolarHBondContact O-N 2.82Å; S29-D33 PolarHBondContact OG-OD2 3.41Å; D33-R120 VanDerWaalsContact O-CZ 3.24Å; D33-R120 PolarHBondContact O-NE 2.84Å; D33-R120 PolarHBondContact O-NH2 3.17Å
34	S	59.3	Low	66.2	Low	74 Å²	74	59.9 Å²	59.9	52%	0.517	29%	0.292	S	S	.	.			trans	-104.2	135.4	167.2	-55.4	0	0	0	0	108.2	R120 R121 G122	S34-R120 CarbonylContact C-O 3.52Å; S34-R120 WeakPolarHBondContact CA-O 3.28Å; S34-R120 VanDerWaalsContact CB-O 3.31Å; S34-R120 WeakPolarHBondContact CB-O 3.29Å; S34-R121 WeakPolarHBondContact OG-CA 3.43Å; S34-G122 PolarHBondContact OG-N 2.51Å
35	Y	63.1	Low	65.7	Low	20 Å²	20	58 Å²	58	8%	0.078	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.1	178.2	62.9	-97.9	0	0	0	110.7	H28 I37 L65 S119 R120	H28-Y35 HydrophobicContact CB-CD1 3.68Å; H28-Y35 HydrophobicContact CB-CE1 4.11Å; H28-Y35 AromaticContact CD2-CD1 3.74Å; H28-Y35 AromaticContact CD2-CE1 3.35Å; H28-Y35 WeakPolarHBondContact CD2-CE1 3.25Å; H28-Y35 AromaticContact CD2-CZ 3.97Å; H28-Y35 AromaticContact CE1-CE1 3.86Å; H28-Y35 AromaticContact CG-CD1 3.64Å; H28-Y35 AromaticContact CG-CE1 3.52Å; H28-Y35 AromaticContact ND1-CE1 3.84Å; H28-Y35 AromaticContact NE2-CE1 3.56Å; H28-Y35 AromaticContact NE2-CZ 3.97Å; Y35-I37 HydrophobicContact CD2-CD1 4.29Å; Y35-I37 HydrophobicContact CD2-CG1 4.11Å; Y35-L65 HydrophobicContact CD2-CD2 4.1Å; Y35-L65 HydrophobicContact CE2-CD2 3.24Å; Y35-L65 WeakPolarHBondContact OH-CD2 3.28Å; Y35-S119 CarbonylContact O-C 2.85Å; Y35-S119 WeakPolarHBondContact O-CA 3.37Å; Y35-S119 VanDerWaalsContact O-CB 3.23Å; Y35-S119 WeakPolarHBondContact O-CB 3.41Å; Y35-R120 HydrophobicContact CD1-CB 3.78Å; Y35-R120 HydrophobicContact CD2-CB 4.47Å; Y35-R120 HydrophobicContact CE1-CB 3.36Å; Y35-R120 HydrophobicContact CE1-CG 4.22Å; Y35-R120 HydrophobicContact CE2-CB 4.11Å; Y35-R120 HydrophobicContact CG-CB 4.32Å; Y35-R120 PolarHBondContact N-O 3.01Å; Y35-R120 PolarHBondContact O-N 2.98Å; Y35-R120 VanDerWaalsContact O-O 3.13Å
36	R	63.7	Low	65.3	Low	141 Å²	141	56.1 Å²	56.1	53%	0.532	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	119.3	169.1	175.9	174.3	177.2	-171.3	-2.1	107.9	T38 L118	R36-T38 HydrophobicContact CG-CG2 4.03Å; R36-L118 CarbonylContact C-O 3.53Å; R36-L118 WeakPolarHBondContact CA-O 3.21Å
37	I	66.4	Low	64.8	Low	3 Å²	3	56.3 Å²	56.3	2%	0.015	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.8	175.6	-55.3	177.5	0	0	0	106.7	I24 V26 Y35 L65 V67 G117 L118	I24-I37 HydrophobicContact CB-CG2 3.88Å; I24-I37 HydrophobicContact CD1-CG2 4.16Å; I24-I37 HydrophobicContact CG2-CG2 3.66Å; V26-I37 HydrophobicContact CB-CD1 3.7Å; V26-I37 HydrophobicContact CB-CG1 4.12Å; V26-I37 HydrophobicContact CG2-CD1 3.58Å; V26-I37 HydrophobicContact CG2-CG1 3.56Å; Y35-I37 HydrophobicContact CD2-CD1 4.29Å; Y35-I37 HydrophobicContact CD2-CG1 4.11Å; I37-L65 HydrophobicContact CD1-CB 4.22Å; I37-L65 HydrophobicContact CD1-CD2 3.47Å; I37-L65 VanDerWaalsContact CD1-CD2 3.47Å; I37-L65 HydrophobicContact CD1-CG 3.71Å; I37-V67 HydrophobicContact CB-CG2 4.2Å; I37-V67 HydrophobicContact CD1-CG2 3.83Å; I37-V67 HydrophobicContact CG2-CB 3.84Å; I37-V67 HydrophobicContact CG2-CG1 4.3Å; I37-V67 HydrophobicContact CG2-CG2 3.69Å; I37-G117 CarbonylContact O-C 3.57Å; I37-G117 WeakPolarHBondContact O-CA 3.48Å; I37-L118 PolarHBondContact N-O 3.38Å; I37-L118 PolarHBondContact O-N 3.2Å; I37-L118 VanDerWaalsContact O-O 3.13Å
38	T	65.2	Low	64.3	Low	50 Å²	50	50.9 Å²	50.9	31%	0.307	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.4	177.6	49.9	0	0	0	0	109.1	I24 R36 W93 S116	I24-T38 WeakPolarHBondContact CD1-O 3.3Å; R36-T38 HydrophobicContact CG-CG2 4.03Å; T38-W93 HydrophobicContact CG2-CH2 3.7Å; T38-W93 HydrophobicContact CG2-CZ3 3.93Å; T38-S116 CarbonylContact C-O 3.57Å; T38-S116 WeakPolarHBondContact CA-O 3.49Å
39	C	65.6	Low	63.8	Low	13 Å²	13	51 Å²	51	9%	0.088	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-65	151.2	168.3	-64	0	0	0	0	110.2	Y43 I45 C69 S116	C39-Y43 WeakPolarHBondContact CB-O 3.5Å; C39-I45 WeakPolarHBondContact SG-CG1 3.4Å; C39-C69 WeakPolarHBondContact CA-SG 3.48Å; C39-C69 HydrophobicContact CB-CB 3.69Å; C39-C69 WeakPolarHBondContact CB-SG 3.21Å; C39-C69 WeakPolarHBondContact SG-CB 3.12Å; C39-C69 CovalentContact SG-SG 2.03Å; C39-C69 PolarHBondContact SG-SG 3.38Å; C39-S116 PolarHBondContact N-O 3.23Å
40	P	67.5	Low	63.4	Low	49 Å²	49	52 Å²	52	32%	0.318	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-58.8	161.4	169.7	-21.2	33.7	0	0	0	111.4	K22 Y43	K22-P40 HydrophobicContact CD-CG 3.79Å; P40-Y43 HydrophobicContact CB-CD2 3.99Å; P40-Y43 HydrophobicContact CG-CD2 4.46Å; P40-Y43 WeakPolarHBondContact O-CB 3.37Å; P40-Y43 PolarHBondContact O-N 3.49Å; P40-Y43 VanDerWaalsContact O-N 3.08Å
41	R	67.2	Low	63.2	Low	176 Å²	176	52.1 Å²	52.1	66%	0.664	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	143	167.9	-76.8	-174.7	154.5	-156.6	-18.2	110.6	Y43 D89	R41-Y43 VanDerWaalsContact C-N 3.26Å; R41-Y43 WeakPolarHBondContact O-CD2 3.04Å; R41-Y43 PolarHBondContact O-N 2.7Å; R41-D89 IonicContact NH2-OD1 2.69Å; R41-D89 PolarHBondContact NH2-OD1 2.78Å
42	E	68.2	Low	63.4	Low	103 Å²	103	52.7 Å²	52.7	48%	0.481	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	5.3	-172.3	-49.9	179	160.6	0	0	115.5	R71 V72 E88	E42-R71 CarbonylContact O-C 3.5Å; E42-R71 VanDerWaalsContact O-CA 3.25Å; E42-R71 WeakPolarHBondContact O-CA 3.4Å; E42-V72 PolarHBondContact O-N 3.03Å; E42-E88 WeakPolarHBondContact CA-OE1 3.46Å; E42-E88 PolarHBondContact N-OE1 3.23Å
43	Y	70.8	Confident	63.6	Low	17 Å²	17	50.6 Å²	50.6	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.2	179.1	-63.8	-106.3	0	0	0	112	D20 K22 C39 P40 R41 C69 E70 R71	D20-Y43 VanDerWaalsContact O-CE1 3.26Å; D20-Y43 WeakPolarHBondContact O-CE1 3.41Å; K22-Y43 HydrophobicContact CD-CD1 4.14Å; K22-Y43 HydrophobicContact CD-CE1 3.83Å; K22-Y43 HydrophobicContact CD-CE2 4.29Å; K22-Y43 VanDerWaalsContact CE-CZ 3.44Å; K22-Y43 WeakPolarHBondContact CE-OH 3.48Å; K22-Y43 HydrophobicContact CG-CD1 4.44Å; K22-Y43 HydrophobicContact CG-CE1 4.07Å; K22-Y43 VanDerWaalsContact NZ-CZ 3.32Å; K22-Y43 PolarHBondContact NZ-OH 3.41Å; C39-Y43 WeakPolarHBondContact CB-O 3.5Å; P40-Y43 HydrophobicContact CB-CD2 3.99Å; P40-Y43 HydrophobicContact CG-CD2 4.46Å; P40-Y43 WeakPolarHBondContact O-CB 3.37Å; P40-Y43 PolarHBondContact O-N 3.49Å; P40-Y43 VanDerWaalsContact O-N 3.08Å; R41-Y43 VanDerWaalsContact C-N 3.26Å; R41-Y43 WeakPolarHBondContact O-CD2 3.04Å; R41-Y43 PolarHBondContact O-N 2.7Å; Y43-C69 HydrophobicContact CD1-CB 4.47Å; Y43-E70 CarbonylContact C-O 3.52Å; Y43-E70 WeakPolarHBondContact CA-O 3.47Å; Y43-E70 VanDerWaalsContact CD1-C 3.44Å; Y43-R71 HydrophobicContact CD1-CG 4.02Å; Y43-R71 HydrophobicContact CE1-CB 4.4Å; Y43-R71 HydrophobicContact CE1-CG 3.42Å; Y43-R71 VanDerWaalsContact CE1-CG 3.42Å; Y43-R71 HydrophobicContact CE2-CG 4.2Å; Y43-R71 PolarHBondContact OH-NH1 2.95Å
44	A	64.9	Low	63.8	Low	1 Å²	1	52.9 Å²	52.9	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.5	171.9	0	0	0	0	0	110.6	Q46 C69 E70 V72 L75 Y114	A44-Q46 PolarHBondContact O-N 2.91Å; A44-Q46 VanDerWaalsContact O-N 3.16Å; A44-C69 CarbonylContact O-C 3.5Å; A44-C69 VanDerWaalsContact O-CA 3.25Å; A44-C69 WeakPolarHBondContact O-CA 3.01Å; A44-E70 PolarHBondContact N-O 2.89Å; A44-E70 PolarHBondContact O-N 2.77Å; A44-V72 HydrophobicContact CB-CG2 3.93Å; A44-L75 HydrophobicContact CB-CD1 3.82Å; A44-Y114 HydrophobicContact CB-CD2 3.51Å; A44-Y114 HydrophobicContact CB-CE2 4.39Å; A44-Y114 HydrophobicContact CB-CG 4.04Å
45	I	64.6	Low	64.2	Low	9 Å²	9	52.8 Å²	52.8	5%	0.046	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	114.3	175.6	-59.9	-179.1	0	0	0	108.2	C39 A48 V67 Y68 L115 L118 M156	C39-I45 WeakPolarHBondContact SG-CG1 3.4Å; I45-A48 HydrophobicContact CG2-CB 4.47Å; I45-V67 HydrophobicContact CB-CG1 4.19Å; I45-V67 HydrophobicContact CD1-CG1 3.67Å; I45-V67 HydrophobicContact CG1-CG1 3.5Å; I45-V67 HydrophobicContact CG2-CG1 3.85Å; I45-Y68 CarbonylContact C-O 2.84Å; I45-Y68 WeakPolarHBondContact CA-O 3.4Å; I45-L115 HydrophobicContact CB-CB 4.22Å; I45-L115 WeakPolarHBondContact CB-O 3.35Å; I45-L115 HydrophobicContact CD1-CB 4.41Å; I45-L115 WeakPolarHBondContact CG1-O 3.36Å; I45-L115 PolarHBondContact N-O 3.4Å; I45-L118 HydrophobicContact CD1-CD1 4.09Å; I45-L118 HydrophobicContact CD1-CG 3.7Å; I45-M156 HydrophobicContact CG2-SD 4.33Å
46	Q	63.3	Low	64.5	Low	42 Å²	42	55.6 Å²	55.6	20%	0.196	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-44.2	170.7	-178.8	-177.9	16	0	0	110.4	A44 Y68 E70 L75 E157	A44-Q46 PolarHBondContact O-N 2.91Å; A44-Q46 VanDerWaalsContact O-N 3.16Å; Q46-Y68 PolarHBondContact N-O 3.09Å; Q46-E70 HydrophobicContact CB-CB 4.06Å; Q46-L75 HydrophobicContact CB-CD2 4.39Å; Q46-L75 HydrophobicContact CG-CD2 4.25Å; Q46-E157 HydrophobicContact CG-CG 4.46Å; Q46-E157 PolarHBondContact NE2-OE1 3.1Å
47	K	60.6	Low	64.4	Low	44 Å²	44	51.7 Å²	51.7	19%	0.191	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	146.3	-176.4	-177.8	169.8	178.7	165.4	0	110.8	Y68 D155	K47-Y68 HydrophobicContact CB-CD2 3.83Å; K47-Y68 HydrophobicContact CB-CG 4.37Å; K47-Y68 HydrophobicContact CD-CD2 4.35Å; K47-Y68 HydrophobicContact CG-CD2 3.97Å; K47-Y68 HydrophobicContact CG-CE2 4.46Å; K47-Y68 PolarHBondContact N-O 2.88Å; K47-Y68 PolarHBondContact O-N 3.03Å; K47-D155 VanDerWaalsContact NZ-CG 3.32Å; K47-D155 IonicContact NZ-OD1 3.77Å; K47-D155 IonicContact NZ-OD2 2.72Å; K47-D155 PolarHBondContact NZ-OD2 2.74Å
48	A	60.7	Low	64.1	Low	5 Å²	5	64 Å²	64	4%	0.041	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	122.1	169.6	0	0	0	0	0	110.4	I45 L65 T66 V67 L118 M156	I45-A48 HydrophobicContact CG2-CB 4.47Å; A48-L65 HydrophobicContact CB-CD1 4.46Å; A48-T66 CarbonylContact C-O 3.53Å; A48-T66 VanDerWaalsContact CA-O 3.23Å; A48-T66 WeakPolarHBondContact CA-O 3.17Å; A48-V67 HydrophobicContact CB-CG2 4.3Å; A48-L118 HydrophobicContact CB-CD1 3.83Å; A48-M156 HydrophobicContact CB-CE 3.71Å; A48-M156 HydrophobicContact CB-SD 3.89Å
49	S	57.9	Low	63.9	Low	7 Å²	7	66.7 Å²	66.7	5%	0.049	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.3	178.1	160.9	0	0	0	0	110	L65 T66 D153	S49-L65 CarbonylContact O-C 3.44Å; S49-L65 WeakPolarHBondContact O-CA 3.21Å; S49-L65 WeakPolarHBondContact O-CD1 3.04Å; S49-T66 PolarHBondContact N-O 2.8Å; S49-T66 PolarHBondContact O-N 2.83Å; S49-D153 WeakPolarHBondContact CB-OD1 3.42Å; S49-D153 PolarHBondContact OG-OD1 2.65Å
50	L	57.9	Low	63.8	Low	28 Å²	28	70.7 Å²	70.7	15%	0.147	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	112	175.6	-176.6	76.2	0	0	0	108.5	Y63 L64 L65 Q151	L50-Y63 HydrophobicContact CD1-CD1 3.83Å; L50-Y63 HydrophobicContact CD1-CG 3.94Å; L50-Y63 HydrophobicContact CD2-CD1 3.81Å; L50-Y63 HydrophobicContact CD2-CE1 3.99Å; L50-Y63 HydrophobicContact CG-CD1 3.67Å; L50-Y63 HydrophobicContact CG-CE1 4.34Å; L50-Y63 HydrophobicContact CG-CG 4.3Å; L50-L64 WeakPolarHBondContact CA-O 3.26Å; L50-L65 HydrophobicContact CB-CD1 4.48Å; L50-L65 HydrophobicContact CD1-CB 4.12Å; L50-L65 HydrophobicContact CD1-CD1 4.2Å; L50-Q151 VanDerWaalsContact O-O 3.13Å
51	Q	57	Low	63.6	Low	99 Å²	99	69.3 Å²	69.3	46%	0.463	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.7	179.3	-172.8	179.6	26	0	0	110.5	V53 Y63 L64	Q51-V53 PolarHBondContact O-N 2.85Å; Q51-Y63 CarbonylContact O-C 3.51Å; Q51-Y63 WeakPolarHBondContact O-CA 3.34Å; Q51-L64 HydrophobicContact CB-CB 4.35Å; Q51-L64 PolarHBondContact N-O 2.99Å; Q51-L64 PolarHBondContact O-N 3.21Å
52	V	61.7	Low	63.6	Low	41 Å²	41	61.1 Å²	61.1	25%	0.248	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124	170.3	174.1	0	0	0	0	109.6	T61 Y63 D150	V52-T61 HydrophobicContact CG1-CG2 3.75Å; V52-T61 HydrophobicContact CG2-CG2 3.99Å; V52-Y63 HydrophobicContact CB-CD1 4.49Å; V52-Y63 HydrophobicContact CG2-CD1 3.54Å; V52-Y63 HydrophobicContact CG2-CE1 3.24Å; V52-D150 WeakPolarHBondContact CG2-OD1 3.48Å
53	V	67.3	Low	63.4	Low	79 Å²	79	57.4 Å²	57.4	48%	0.479	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-42.9	177.1	-179.8	0	0	0	0	110.7	Q51 D62 L64	Q51-V53 PolarHBondContact O-N 2.85Å; V53-D62 HydrophobicContact CB-CB 4.33Å; V53-D62 PolarHBondContact N-O 3.21Å; V53-L64 HydrophobicContact CG2-CB 3.81Å
54	Q	66.3	Low	63.1	Low	109 Å²	109	59 Å²	59	51%	0.509	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	137.4	-177.3	-170.3	174.1	14.9	0	0	110.4	T61 D62	Q54-T61 CarbonylContact O-C 3.36Å; Q54-T61 WeakPolarHBondContact O-CA 2.73Å; Q54-D62 HydrophobicContact CB-CB 4.15Å; Q54-D62 PolarHBondContact N-O 3.08Å; Q54-D62 PolarHBondContact O-N 3.29Å
55	S	67.5	Low	63.3	Low	72 Å²	72	59.1 Å²	59.1	50%	0.503	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.5	173.7	-174.4	0	0	0	0	109.7	G57	S55-G57 PolarHBondContact OG-O 2.89Å
56	V	69.5	Low	63.4	Low	79 Å²	79	59.4 Å²	59.4	48%	0.479	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	79.6	174.2	-173.2	0	0	0	0	107.7	R58 V59 R60	V56-R58 PolarHBondContact O-N 3.24Å; V56-V59 PolarHBondContact O-N 3.02Å; V56-V59 VanDerWaalsContact O-N 3.1Å; V56-R60 HydrophobicContact CB-CB 4.5Å; V56-R60 PolarHBondContact N-O 3.22Å; V56-R60 PolarHBondContact O-N 2.97Å
57	G	63.4	Low	63.8	Low	59 Å²	59	57.4 Å²	57.4	61%	0.608	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	-131.7	-178.7	0	0	0	0	0	112.5	S55	S55-G57 PolarHBondContact OG-O 2.89Å
58	R	59.2	Low	64.2	Low	262 Å²	262	58.4 Å²	58.4	99%	0.989	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	9.2	175.6	-64.7	-174.2	178.2	173.6	0	113.6	V56	V56-R58 PolarHBondContact O-N 3.24Å
59	V	61.1	Low	64.8	Low	106 Å²	106	58.1 Å²	58.1	64%	0.642	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-42.8	-171.4	-177	0	0	0	0	111.3	V56	V56-V59 PolarHBondContact O-N 3.02Å; V56-V59 VanDerWaalsContact O-N 3.1Å
60	R	63.1	Low	65.2	Low	98 Å²	98	58 Å²	58	37%	0.37	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	137	-173.4	-178.6	178.2	166.3	-179.7	-4.3	111	S29 F30 F32 V56 D62	S29-R60 PolarHBondContact OG-NH2 3.36Å; F30-R60 WeakPolarHBondContact O-CA 2.96Å; F32-R60 HydrophobicContact CD2-CG 4.38Å; F32-R60 HydrophobicContact CE2-CB 4.01Å; F32-R60 HydrophobicContact CE2-CG 4Å; V56-R60 HydrophobicContact CB-CB 4.5Å; V56-R60 PolarHBondContact N-O 3.22Å; V56-R60 PolarHBondContact O-N 2.97Å; R60-D62 IonicContact CZ-OD1 3.2Å; R60-D62 IonicContact CZ-OD2 3.86Å; R60-D62 IonicContact NE-OD1 2.71Å; R60-D62 PolarHBondContact NE-OD1 3.3Å; R60-D62 VanDerWaalsContact NH2-CG 3.34Å; R60-D62 IonicContact NH2-OD1 2.87Å; R60-D62 PolarHBondContact NH2-OD1 2.81Å; R60-D62 IonicContact NH2-OD2 3.03Å; R60-D62 PolarHBondContact NH2-OD2 2.88Å
61	T	63	Low	65.8	Low	20 Å²	20	60.5 Å²	60.5	12%	0.123	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	118.3	169.7	-47.4	0	0	0	0	109.6	S29 F30 V52 Q54 Y63	S29-T61 CarbonylContact C-O 3.58Å; F30-T61 PolarHBondContact N-O 2.67Å; F30-T61 PolarHBondContact O-N 3.33Å; V52-T61 HydrophobicContact CG1-CG2 3.75Å; V52-T61 HydrophobicContact CG2-CG2 3.99Å; Q54-T61 CarbonylContact O-C 3.36Å; Q54-T61 WeakPolarHBondContact O-CA 2.73Å; T61-Y63 HydrophobicContact CG2-CD2 4.23Å; T61-Y63 HydrophobicContact CG2-CE1 4.02Å; T61-Y63 HydrophobicContact CG2-CE2 3.55Å; T61-Y63 VanDerWaalsContact CG2-CZ 3.41Å; T61-Y63 WeakPolarHBondContact CG2-OH 3.44Å; T61-Y63 VanDerWaalsContact O-CD2 3.22Å; T61-Y63 WeakPolarHBondContact O-CD2 3.18Å; T61-Y63 VanDerWaalsContact O-CE2 3.3Å; T61-Y63 WeakPolarHBondContact O-CE2 3.47Å
62	D	67	Low	66.2	Low	4 Å²	4	56 Å²	56	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.9	172.6	-75.6	8.4	0	0	0	109.4	K27 H28 S29 V53 Q54 R60	K27-D62 WeakPolarHBondContact CE-OD2 3.39Å; K27-D62 IonicContact NZ-OD2 3.21Å; K27-D62 PolarHBondContact NZ-OD2 3.43Å; K27-D62 VanDerWaalsContact NZ-OD2 3.17Å; H28-D62 CarbonylContact O-C 3.57Å; H28-D62 WeakPolarHBondContact O-CA 3.08Å; S29-D62 VanDerWaalsContact CB-OD1 3.3Å; S29-D62 WeakPolarHBondContact CB-OD1 2.95Å; S29-D62 PolarHBondContact OG-OD1 2.86Å; S29-D62 VanDerWaalsContact OG-OD1 3.13Å; V53-D62 HydrophobicContact CB-CB 4.33Å; V53-D62 PolarHBondContact N-O 3.21Å; Q54-D62 HydrophobicContact CB-CB 4.15Å; Q54-D62 PolarHBondContact N-O 3.08Å; Q54-D62 PolarHBondContact O-N 3.29Å; R60-D62 IonicContact CZ-OD1 3.2Å; R60-D62 IonicContact CZ-OD2 3.86Å; R60-D62 IonicContact NE-OD1 2.71Å; R60-D62 PolarHBondContact NE-OD1 3.3Å; R60-D62 VanDerWaalsContact NH2-CG 3.34Å; R60-D62 IonicContact NH2-OD1 2.87Å; R60-D62 PolarHBondContact NH2-OD1 2.81Å; R60-D62 IonicContact NH2-OD2 3.03Å; R60-D62 PolarHBondContact NH2-OD2 2.88Å
63	Y	64.9	Low	66.4	Low	25 Å²	25	57.1 Å²	57.1	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153	177.8	-59.7	-93.8	0	0	0	110.6	K27 H28 F30 L50 Q51 V52 T61	K27-Y63 CarbonylContact C-O 3.56Å; K27-Y63 WeakPolarHBondContact CA-O 3.24Å; H28-Y63 AromaticContact CE1-CD2 3.41Å; H28-Y63 VanDerWaalsContact CE1-CD2 3.41Å; H28-Y63 WeakPolarHBondContact CE1-CD2 3.21Å; H28-Y63 AromaticContact CE1-CG 3.68Å; H28-Y63 PolarHBondContact N-O 3.5Å; H28-Y63 AromaticContact ND1-CD2 3.88Å; H28-Y63 PolarHBondContact O-N 3.27Å; F30-Y63 HydrophobicContact CB-CD2 4.15Å; F30-Y63 HydrophobicContact CB-CE2 3.56Å; F30-Y63 HydrophobicContact CG-CE2 4.44Å; L50-Y63 HydrophobicContact CD1-CD1 3.83Å; L50-Y63 HydrophobicContact CD1-CG 3.94Å; L50-Y63 HydrophobicContact CD2-CD1 3.81Å; L50-Y63 HydrophobicContact CD2-CE1 3.99Å; L50-Y63 HydrophobicContact CG-CD1 3.67Å; L50-Y63 HydrophobicContact CG-CE1 4.34Å; L50-Y63 HydrophobicContact CG-CG 4.3Å; Q51-Y63 CarbonylContact O-C 3.51Å; Q51-Y63 WeakPolarHBondContact O-CA 3.34Å; V52-Y63 HydrophobicContact CB-CD1 4.49Å; V52-Y63 HydrophobicContact CG2-CD1 3.54Å; V52-Y63 HydrophobicContact CG2-CE1 3.24Å; T61-Y63 HydrophobicContact CG2-CD2 4.23Å; T61-Y63 HydrophobicContact CG2-CE1 4.02Å; T61-Y63 HydrophobicContact CG2-CE2 3.55Å; T61-Y63 VanDerWaalsContact CG2-CZ 3.41Å; T61-Y63 WeakPolarHBondContact CG2-OH 3.44Å; T61-Y63 VanDerWaalsContact O-CD2 3.22Å; T61-Y63 WeakPolarHBondContact O-CD2 3.18Å; T61-Y63 VanDerWaalsContact O-CE2 3.3Å; T61-Y63 WeakPolarHBondContact O-CE2 3.47Å
64	L	63.6	Low	66.4	Low	50 Å²	50	58 Å²	58	26%	0.262	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.8	163.8	-163.8	72.2	0	0	0	107.4	V25 K27 L50 Q51 V53	V25-L64 HydrophobicContact CG1-CD1 3.34Å; V25-L64 HydrophobicContact CG1-CD2 3.9Å; V25-L64 HydrophobicContact CG1-CG 3.49Å; V25-L64 VanDerWaalsContact CG1-CG 3.49Å; K27-L64 HydrophobicContact CB-CD1 4.27Å; L50-L64 WeakPolarHBondContact CA-O 3.26Å; Q51-L64 HydrophobicContact CB-CB 4.35Å; Q51-L64 PolarHBondContact N-O 2.99Å; Q51-L64 PolarHBondContact O-N 3.21Å; V53-L64 HydrophobicContact CG2-CB 3.81Å
65	L	69.7	Low	66	Low	4 Å²	4	53.9 Å²	53.9	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116	172.8	178.3	62.1	0	0	0	108.6	V25 V26 Y35 I37 A48 S49 L50 V67	V25-L65 CarbonylContact C-O 3.47Å; V25-L65 WeakPolarHBondContact CA-O 3.46Å; V26-L65 PolarHBondContact N-O 3.02Å; V26-L65 PolarHBondContact O-N 3.46Å; Y35-L65 HydrophobicContact CD2-CD2 4.1Å; Y35-L65 HydrophobicContact CE2-CD2 3.24Å; Y35-L65 WeakPolarHBondContact OH-CD2 3.28Å; I37-L65 HydrophobicContact CD1-CB 4.22Å; I37-L65 HydrophobicContact CD1-CD2 3.47Å; I37-L65 VanDerWaalsContact CD1-CD2 3.47Å; I37-L65 HydrophobicContact CD1-CG 3.71Å; A48-L65 HydrophobicContact CB-CD1 4.46Å; S49-L65 CarbonylContact O-C 3.44Å; S49-L65 WeakPolarHBondContact O-CA 3.21Å; S49-L65 WeakPolarHBondContact O-CD1 3.04Å; L50-L65 HydrophobicContact CB-CD1 4.48Å; L50-L65 HydrophobicContact CD1-CB 4.12Å; L50-L65 HydrophobicContact CD1-CD1 4.2Å; L65-V67 HydrophobicContact CG-CG2 4.23Å
66	T	66.7	Low	65.5	Low	14 Å²	14	51.4 Å²	51.4	9%	0.086	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.5	175.5	-58.1	0	0	0	0	109.3	A23 I24 V25 A48 S49 Y68	A23-T66 HydrophobicContact CB-CG2 4.46Å; I24-T66 CarbonylContact O-C 3.59Å; I24-T66 WeakPolarHBondContact O-CA 3.4Å; V25-T66 HydrophobicContact CG2-CG2 3.85Å; A48-T66 CarbonylContact C-O 3.53Å; A48-T66 VanDerWaalsContact CA-O 3.23Å; A48-T66 WeakPolarHBondContact CA-O 3.17Å; S49-T66 PolarHBondContact N-O 2.8Å; S49-T66 PolarHBondContact O-N 2.83Å; T66-Y68 HydrophobicContact CG2-CD2 4.17Å; T66-Y68 HydrophobicContact CG2-CE1 3.99Å; T66-Y68 HydrophobicContact CG2-CE2 3.56Å; T66-Y68 VanDerWaalsContact CG2-CZ 3.45Å
67	V	71.9	Confident	64.9	Low	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.5	177	179.1	0	0	0	0	108.6	A23 I24 I37 I45 A48 L65 L118	A23-V67 CarbonylContact C-O 3.58Å; A23-V67 WeakPolarHBondContact CA-O 3.3Å; I24-V67 PolarHBondContact N-O 3.27Å; I24-V67 PolarHBondContact O-N 3.13Å; I37-V67 HydrophobicContact CB-CG2 4.2Å; I37-V67 HydrophobicContact CD1-CG2 3.83Å; I37-V67 HydrophobicContact CG2-CB 3.84Å; I37-V67 HydrophobicContact CG2-CG1 4.3Å; I37-V67 HydrophobicContact CG2-CG2 3.69Å; I45-V67 HydrophobicContact CB-CG1 4.19Å; I45-V67 HydrophobicContact CD1-CG1 3.67Å; I45-V67 HydrophobicContact CG1-CG1 3.5Å; I45-V67 HydrophobicContact CG2-CG1 3.85Å; A48-V67 HydrophobicContact CB-CG2 4.3Å; L65-V67 HydrophobicContact CG-CG2 4.23Å; V67-L118 HydrophobicContact CG2-CD1 3.9Å
68	Y	68.6	Low	64.7	Low	65 Å²	65	58.6 Å²	58.6	26%	0.255	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.5	173.8	-58	-86.7	0	0	0	108.5	V21 A23 I45 Q46 K47 T66	V21-Y68 HydrophobicContact CG1-CD1 4.17Å; A23-Y68 HydrophobicContact CB-CD1 3.84Å; A23-Y68 HydrophobicContact CB-CE1 3.91Å; I45-Y68 CarbonylContact C-O 2.84Å; I45-Y68 WeakPolarHBondContact CA-O 3.4Å; Q46-Y68 PolarHBondContact N-O 3.09Å; K47-Y68 HydrophobicContact CB-CD2 3.83Å; K47-Y68 HydrophobicContact CB-CG 4.37Å; K47-Y68 HydrophobicContact CD-CD2 4.35Å; K47-Y68 HydrophobicContact CG-CD2 3.97Å; K47-Y68 HydrophobicContact CG-CE2 4.46Å; K47-Y68 PolarHBondContact N-O 2.88Å; K47-Y68 PolarHBondContact O-N 3.03Å; T66-Y68 HydrophobicContact CG2-CD2 4.17Å; T66-Y68 HydrophobicContact CG2-CE1 3.99Å; T66-Y68 HydrophobicContact CG2-CE2 3.56Å; T66-Y68 VanDerWaalsContact CG2-CZ 3.45Å
69	C	72.5	Confident	64.4	Low	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.4	179.8	-61.9	0	0	0	0	108.8	K22 C39 Y43 A44	K22-C69 HydrophobicContact CB-CB 4.24Å; K22-C69 PolarHBondContact N-O 3.44Å; K22-C69 WeakPolarHBondContact O-CB 3.25Å; K22-C69 PolarHBondContact O-N 3.21Å; C39-C69 WeakPolarHBondContact CA-SG 3.48Å; C39-C69 HydrophobicContact CB-CB 3.69Å; C39-C69 WeakPolarHBondContact CB-SG 3.21Å; C39-C69 WeakPolarHBondContact SG-CB 3.12Å; C39-C69 CovalentContact SG-SG 2.03Å; C39-C69 PolarHBondContact SG-SG 3.38Å; Y43-C69 HydrophobicContact CD1-CB 4.47Å; A44-C69 CarbonylContact O-C 3.5Å; A44-C69 VanDerWaalsContact O-CA 3.25Å; A44-C69 WeakPolarHBondContact O-CA 3.01Å
70	E	68.4	Low	64.2	Low	3 Å²	3	48.3 Å²	48.3	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	153	176.5	-178.7	57.4	-82.3	0	0	109.2	D20 V21 Y43 A44 Q46 V72 K74 L75	D20-E70 WeakPolarHBondContact CB-OE1 2.78Å; V21-E70 WeakPolarHBondContact CG2-OE2 3.41Å; Y43-E70 CarbonylContact C-O 3.52Å; Y43-E70 WeakPolarHBondContact CA-O 3.47Å; Y43-E70 VanDerWaalsContact CD1-C 3.44Å; A44-E70 PolarHBondContact N-O 2.89Å; A44-E70 PolarHBondContact O-N 2.77Å; Q46-E70 HydrophobicContact CB-CB 4.06Å; E70-V72 PolarHBondContact O-N 3.22Å; E70-K74 HydrophobicContact CG-CB 4.28Å; E70-K74 HydrophobicContact CG-CD 4.16Å; E70-K74 HydrophobicContact CG-CG 4.32Å; E70-K74 WeakPolarHBondContact OE2-CD 3.31Å; E70-K74 VanDerWaalsContact OE2-CE 3.28Å; E70-K74 WeakPolarHBondContact OE2-CE 3.08Å; E70-K74 IonicContact OE2-NZ 2.67Å; E70-K74 PolarHBondContact OE2-NZ 3.34Å; E70-L75 HydrophobicContact CB-CD1 4.18Å; E70-L75 HydrophobicContact CB-CD2 4.03Å; E70-L75 HydrophobicContact CB-CG 4.08Å; E70-L75 HydrophobicContact CG-CD2 3.98Å; E70-L75 HydrophobicContact CG-CG 4.02Å
71	R	68.8	Low	63.9	Low	82 Å²	82	51 Å²	51	31%	0.309	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	131.7	179.1	-67	-175.8	-146.1	-108.4	5.2	109.9	D20 E42 Y43 S73 K74 L75	D20-R71 IonicContact OD1-CZ 3.36Å; D20-R71 IonicContact OD1-NE 3.36Å; D20-R71 PolarHBondContact OD1-NE 3.49Å; D20-R71 IonicContact OD1-NH2 3.83Å; D20-R71 PolarHBondContact OD1-NH2 3.42Å; E42-R71 CarbonylContact O-C 3.5Å; E42-R71 VanDerWaalsContact O-CA 3.25Å; E42-R71 WeakPolarHBondContact O-CA 3.4Å; Y43-R71 HydrophobicContact CD1-CG 4.02Å; Y43-R71 HydrophobicContact CE1-CB 4.4Å; Y43-R71 HydrophobicContact CE1-CG 3.42Å; Y43-R71 VanDerWaalsContact CE1-CG 3.42Å; Y43-R71 HydrophobicContact CE2-CG 4.2Å; Y43-R71 PolarHBondContact OH-NH1 2.95Å; R71-S73 PolarHBondContact O-N 2.69Å; R71-K74 HydrophobicContact CB-CB 4.19Å; R71-K74 WeakPolarHBondContact O-CA 3.42Å; R71-K74 WeakPolarHBondContact O-CB 3.44Å; R71-K74 PolarHBondContact O-N 2.74Å; R71-L75 WeakPolarHBondContact O-CG 3.12Å; R71-L75 PolarHBondContact O-N 2.67Å
72	V	65.5	Low	63.6	Low	5 Å²	5	55.2 Å²	55.2	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-56	-37.9	174.6	-178.2	0	0	0	0	110.1	E42 A44 E70 K74 L75 F76 L84 Y114	E42-V72 PolarHBondContact O-N 3.03Å; A44-V72 HydrophobicContact CB-CG2 3.93Å; E70-V72 PolarHBondContact O-N 3.22Å; V72-K74 PolarHBondContact O-N 2.79Å; V72-L75 PolarHBondContact O-N 3.47Å; V72-F76 HydrophobicContact CG1-CD2 3.66Å; V72-F76 HydrophobicContact CG1-CE2 4.18Å; V72-F76 WeakPolarHBondContact O-CB 3.23Å; V72-F76 WeakPolarHBondContact O-CD2 3.42Å; V72-F76 PolarHBondContact O-N 2.68Å; V72-L84 HydrophobicContact CG1-CD2 3.55Å; V72-Y114 HydrophobicContact CG2-CE2 4.43Å
73	S	65.9	Low	63	Low	64 Å²	64	57 Å²	57	45%	0.448	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-25.2	175.8	64.6	0	0	0	0	114.3	R71 F76 P77	R71-S73 PolarHBondContact O-N 2.69Å; S73-F76 CarbonylContact O-C 3.42Å; S73-P77 WeakPolarHBondContact O-CA 3.42Å
74	K	67.2	Low	62.4	Low	97 Å²	97	56.7 Å²	56.7	42%	0.422	29%	0.288	S	S	.	.	H	α-helix	trans	-88.4	-36.8	177.4	-179	169.3	164.7	-162	0	111.5	E70 R71 V72 F76	E70-K74 HydrophobicContact CG-CB 4.28Å; E70-K74 HydrophobicContact CG-CD 4.16Å; E70-K74 HydrophobicContact CG-CG 4.32Å; E70-K74 WeakPolarHBondContact OE2-CD 3.31Å; E70-K74 VanDerWaalsContact OE2-CE 3.28Å; E70-K74 WeakPolarHBondContact OE2-CE 3.08Å; E70-K74 IonicContact OE2-NZ 2.67Å; E70-K74 PolarHBondContact OE2-NZ 3.34Å; R71-K74 HydrophobicContact CB-CB 4.19Å; R71-K74 WeakPolarHBondContact O-CA 3.42Å; R71-K74 WeakPolarHBondContact O-CB 3.44Å; R71-K74 PolarHBondContact O-N 2.74Å; V72-K74 PolarHBondContact O-N 2.79Å; K74-F76 PolarHBondContact O-N 2.88Å
75	L	58	Low	62	Low	23 Å²	23	60.1 Å²	60.1	12%	0.12	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-30.9	170.6	-61.8	171.4	0	0	0	111.2	A44 Q46 E70 R71 V72 I162	A44-L75 HydrophobicContact CB-CD1 3.82Å; Q46-L75 HydrophobicContact CB-CD2 4.39Å; Q46-L75 HydrophobicContact CG-CD2 4.25Å; E70-L75 HydrophobicContact CB-CD1 4.18Å; E70-L75 HydrophobicContact CB-CD2 4.03Å; E70-L75 HydrophobicContact CB-CG 4.08Å; E70-L75 HydrophobicContact CG-CD2 3.98Å; E70-L75 HydrophobicContact CG-CG 4.02Å; R71-L75 WeakPolarHBondContact O-CG 3.12Å; R71-L75 PolarHBondContact O-N 2.67Å; V72-L75 PolarHBondContact O-N 3.47Å; L75-I162 HydrophobicContact CD2-CD1 3.74Å
76	F	57	Low	61	Low	20 Å²	20	65.8 Å²	65.8	9%	0.088	33%	0.327	C	S	.	.			trans	-135.7	71.4	-176.4	-51.5	-71.4	0	0	0	112.2	V72 S73 K74 F78 F79 I162 V164	V72-F76 HydrophobicContact CG1-CD2 3.66Å; V72-F76 HydrophobicContact CG1-CE2 4.18Å; V72-F76 WeakPolarHBondContact O-CB 3.23Å; V72-F76 WeakPolarHBondContact O-CD2 3.42Å; V72-F76 PolarHBondContact O-N 2.68Å; S73-F76 CarbonylContact O-C 3.42Å; K74-F76 PolarHBondContact O-N 2.88Å; F76-F78 PolarHBondContact O-N 2.03Å; F76-F78 VanDerWaalsContact O-N 3.13Å; F76-F79 HydrophobicContact CB-CD2 3.71Å; F76-F79 HydrophobicContact CB-CE2 4.27Å; F76-F79 PolarHBondContact O-N 3.3Å; F76-I162 HydrophobicContact CD1-CG2 3.9Å; F76-I162 HydrophobicContact CE1-CB 4.48Å; F76-I162 HydrophobicContact CE1-CG2 3.33Å; F76-I162 HydrophobicContact CZ-CG2 3.8Å; F76-V164 HydrophobicContact CD1-CB 4.3Å; F76-V164 HydrophobicContact CD1-CG2 3.21Å; F76-V164 HydrophobicContact CE1-CG2 3.39Å; F76-V164 HydrophobicContact CG-CG2 4.01Å; F76-V164 HydrophobicContact CZ-CG2 4.35Å
77	P	57.7	Low	60.1	Low	90 Å²	90	67.1 Å²	67.1	58%	0.584	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.9	-174.1	25.9	-34.7	0	0	0	113.9	S73	S73-P77 WeakPolarHBondContact O-CA 3.42Å
78	F	58.4	Low	58.9	Low	199 Å²	199	68.7 Å²	68.7	87%	0.873	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	0.8	-177.5	-58.9	-69.1	0	0	0	114.3	F76	F76-F78 PolarHBondContact O-N 2.03Å; F76-F78 VanDerWaalsContact O-N 3.13Å
79	F	54.5	Low	57.8	Low	39 Å²	39	70.3 Å²	70.3	17%	0.171	35%	0.353	C	S	.	.	S	Bend	trans	-84	132.1	173.8	-84.1	-101.8	0	0	0	112	F76 K81 A83 L84 V164 V166	F76-F79 HydrophobicContact CB-CD2 3.71Å; F76-F79 HydrophobicContact CB-CE2 4.27Å; F76-F79 PolarHBondContact O-N 3.3Å; F79-K81 PolarHBondContact O-N 2.79Å; F79-A83 HydrophobicContact CD1-CB 4.38Å; F79-L84 HydrophobicContact CB-CD2 3.9Å; F79-L84 HydrophobicContact CB-CG 4.18Å; F79-L84 HydrophobicContact CG-CD2 4.39Å; F79-V164 HydrophobicContact CD2-CG1 4.27Å; F79-V164 HydrophobicContact CD2-CG2 4.02Å; F79-V164 HydrophobicContact CE2-CB 3.4Å; F79-V164 VanDerWaalsContact CE2-CB 3.4Å; F79-V164 HydrophobicContact CE2-CG1 3.04Å; F79-V164 HydrophobicContact CE2-CG2 2.97Å; F79-V164 HydrophobicContact CZ-CB 3.68Å; F79-V164 HydrophobicContact CZ-CG1 3.24Å; F79-V164 HydrophobicContact CZ-CG2 3.28Å; F79-V166 HydrophobicContact CD1-CG2 4.39Å; F79-V166 HydrophobicContact CE1-CG2 3.59Å; F79-V166 HydrophobicContact CE2-CG2 4.37Å; F79-V166 HydrophobicContact CZ-CG2 3.59Å
80	L	55	Low	56.2	Low	112 Å²	112	73.7 Å²	73.7	59%	0.586	37%	0.369	S	S	*	.			trans	-56.7	126.4	166.6	-78	144.4	0	0	0	109.6	T82 A83 L84	L80-T82 PolarHBondContact O-N 2.76Å; L80-A83 WeakPolarHBondContact O-CA 3.47Å; L80-A83 VanDerWaalsContact O-CB 3.3Å; L80-A83 WeakPolarHBondContact O-CB 3.36Å; L80-A83 PolarHBondContact O-N 2.82Å; L80-L84 PolarHBondContact O-N 2.92Å
81	K	57.6	Low	54.9	Low	154 Å²	154	74.9 Å²	74.9	67%	0.67	38%	0.377	S	S	*	.	H	α-helix	trans	-49.7	-35.2	178.4	-169.4	178	-178.5	-178.9	0	112.9	F79 A83 L84 Q85	F79-K81 PolarHBondContact O-N 2.79Å; K81-A83 VanDerWaalsContact C-N 3.33Å; K81-A83 PolarHBondContact O-N 3.16Å; K81-L84 WeakPolarHBondContact O-CB 3.18Å; K81-L84 PolarHBondContact O-N 2.81Å; K81-Q85 PolarHBondContact O-N 2.81Å
82	T	57.1	Low	53.4	Low	110 Å²	110	81.4 Å²	81.4	68%	0.675	40%	0.402	S	S	*	.	H	α-helix	trans	-61.6	-38.3	175.5	-43.1	0	0	0	0	112.8	L80 L84 K86	L80-T82 PolarHBondContact O-N 2.76Å; T82-L84 VanDerWaalsContact C-N 3.35Å; T82-K86 WeakPolarHBondContact O-CB 3.39Å; T82-K86 PolarHBondContact O-N 3.4Å; T82-K86 VanDerWaalsContact O-N 3.13Å
83	A	54.7	Low	51.8	Low	40 Å²	40	87.6 Å²	87.6	33%	0.331	43%	0.425	S	S	.	.	H	α-helix	trans	-67.7	-38.2	175.9	0	0	0	0	0	110.9	F79 L80 K81 K86 M87	F79-A83 HydrophobicContact CD1-CB 4.38Å; L80-A83 WeakPolarHBondContact O-CA 3.47Å; L80-A83 VanDerWaalsContact O-CB 3.3Å; L80-A83 WeakPolarHBondContact O-CB 3.36Å; L80-A83 PolarHBondContact O-N 2.82Å; K81-A83 VanDerWaalsContact C-N 3.33Å; K81-A83 PolarHBondContact O-N 3.16Å; A83-K86 PolarHBondContact O-N 3.3Å; A83-M87 VanDerWaalsContact O-CG 3.3Å; A83-M87 WeakPolarHBondContact O-CG 3.09Å; A83-M87 PolarHBondContact O-N 2.81Å
84	L	52.2	Low	50.2	Low	19 Å²	19	90.5 Å²	90.5	10%	0.099	44%	0.44	C	S	.	.	H	α-helix	trans	-62.1	-49.5	176.3	-60.1	180	0	0	0	111.9	V72 F79 L80 K81 T82 K86 M87 E88	V72-L84 HydrophobicContact CG1-CD2 3.55Å; F79-L84 HydrophobicContact CB-CD2 3.9Å; F79-L84 HydrophobicContact CB-CG 4.18Å; F79-L84 HydrophobicContact CG-CD2 4.39Å; L80-L84 PolarHBondContact O-N 2.92Å; K81-L84 WeakPolarHBondContact O-CB 3.18Å; K81-L84 PolarHBondContact O-N 2.81Å; T82-L84 VanDerWaalsContact C-N 3.35Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 3.37Å; L84-M87 HydrophobicContact CD2-CE 3.53Å; L84-M87 WeakPolarHBondContact O-CB 3.42Å; L84-M87 PolarHBondContact O-N 2.67Å; L84-E88 PolarHBondContact O-N 3.14Å
85	Q	54.1	Low	48.4	Very low	123 Å²	123	93.9 Å²	93.9	58%	0.575	46%	0.457	S	S	*	.	H	α-helix	trans	-62.7	-41.7	-179.5	-169.6	170.6	0.7	0	0	111.7	K81 M87 E88 D89	K81-Q85 PolarHBondContact O-N 2.81Å; Q85-M87 VanDerWaalsContact C-N 3.34Å; Q85-M87 PolarHBondContact O-N 3Å; Q85-E88 PolarHBondContact O-N 2.77Å; Q85-D89 PolarHBondContact O-N 2.7Å; Q85-D89 VanDerWaalsContact O-N 3.13Å
86	K	49.3	Very low	46.9	Very low	123 Å²	123	97.8 Å²	97.8	54%	0.535	48%	0.476	S	S	.	.	H	α-helix	trans	-60.8	-42.3	174.8	-173.3	176.2	175.6	-178.1	0	111.9	T82 A83 L84 D89 E90	T82-K86 WeakPolarHBondContact O-CB 3.39Å; T82-K86 PolarHBondContact O-N 3.4Å; T82-K86 VanDerWaalsContact O-N 3.13Å; A83-K86 PolarHBondContact O-N 3.3Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 3.37Å; K86-D89 PolarHBondContact O-N 2.86Å; K86-E90 WeakPolarHBondContact CE-OE1 3.38Å; K86-E90 HydrophobicContact CG-CG 4.41Å; K86-E90 IonicContact NZ-OE1 3.17Å; K86-E90 WeakPolarHBondContact O-CB 3.33Å; K86-E90 WeakPolarHBondContact O-CG 3.46Å; K86-E90 PolarHBondContact O-N 2.81Å
87	M	47.4	Very low	45.5	Very low	42 Å²	42	99 Å²	99	21%	0.207	49%	0.49	C	S	.	.	H	α-helix	trans	-61.7	-43.3	175.8	-74	-171.4	-64.2	0	0	112	A83 L84 Q85 D89 E90 C91	A83-M87 VanDerWaalsContact O-CG 3.3Å; A83-M87 WeakPolarHBondContact O-CG 3.09Å; A83-M87 PolarHBondContact O-N 2.81Å; L84-M87 HydrophobicContact CD2-CE 3.53Å; L84-M87 WeakPolarHBondContact O-CB 3.42Å; L84-M87 PolarHBondContact O-N 2.67Å; Q85-M87 VanDerWaalsContact C-N 3.34Å; Q85-M87 PolarHBondContact O-N 3Å; M87-D89 VanDerWaalsContact C-N 3.34Å; M87-D89 PolarHBondContact O-N 2.82Å; M87-E90 PolarHBondContact O-N 2.76Å; M87-C91 VanDerWaalsContact O-CB 3.24Å; M87-C91 WeakPolarHBondContact O-CB 3.23Å; M87-C91 PolarHBondContact O-N 2.78Å; M87-C91 PolarHBondContact O-SG 3.34Å
88	E	47.2	Very low	44.2	Very low	33 Å²	33	99.5 Å²	99.5	15%	0.154	49%	0.488	C	S	.	.	H	α-helix	trans	-63.8	-37.5	179.1	-73.2	-172.7	-174.5	0	0	114	E42 L84 Q85	E42-E88 WeakPolarHBondContact CA-OE1 3.46Å; E42-E88 PolarHBondContact N-OE1 3.23Å; L84-E88 PolarHBondContact O-N 3.14Å; Q85-E88 PolarHBondContact O-N 2.77Å
89	D	44.3	Very low	43	Very low	98 Å²	98	91 Å²	91	52%	0.524	45%	0.451	S	S	.	.	H	α-helix	trans	-77.3	-31.9	179.9	-71.4	-28.8	0	0	0	112	R41 Q85 K86 M87	R41-D89 IonicContact NH2-OD1 2.69Å; R41-D89 PolarHBondContact NH2-OD1 2.78Å; Q85-D89 PolarHBondContact O-N 2.7Å; Q85-D89 VanDerWaalsContact O-N 3.13Å; K86-D89 PolarHBondContact O-N 2.86Å; M87-D89 VanDerWaalsContact C-N 3.34Å; M87-D89 PolarHBondContact O-N 2.82Å
90	E	40.6	Very low	41.8	Very low	72 Å²	72	96.4 Å²	96.4	34%	0.336	48%	0.477	S	S	.	.	H	α-helix	trans	-79.1	-24.5	175.8	-71.2	179.1	179	0	0	113	K86 M87 R92	K86-E90 WeakPolarHBondContact CE-OE1 3.38Å; K86-E90 HydrophobicContact CG-CG 4.41Å; K86-E90 IonicContact NZ-OE1 3.17Å; K86-E90 WeakPolarHBondContact O-CB 3.33Å; K86-E90 WeakPolarHBondContact O-CG 3.46Å; K86-E90 PolarHBondContact O-N 2.81Å; M87-E90 PolarHBondContact O-N 2.76Å; E90-R92 PolarHBondContact O-N 2.71Å
91	C	41.3	Very low	40.7	Very low	28 Å²	28	99.3 Å²	99.3	19%	0.189	49%	0.487	C	S	.	.			trans	-73.4	66.5	175.5	-75.1	0	0	0	0	113	M87 S131	M87-C91 VanDerWaalsContact O-CB 3.24Å; M87-C91 WeakPolarHBondContact O-CB 3.23Å; M87-C91 PolarHBondContact O-N 2.78Å; M87-C91 PolarHBondContact O-SG 3.34Å; C91-S131 WeakPolarHBondContact SG-CA 3.49Å; C91-S131 WeakPolarHBondContact SG-CB 3.44Å; C91-S131 PolarHBondContact SG-OG 3.47Å
92	R	35.8	Very low	39.2	Very low	218 Å²	218	101.2 Å²	101.2	82%	0.823	49%	0.492	S	S	*	.			trans	-86.6	125.7	172.1	-152.7	170.8	175.3	-170.7	-2.3	110.4	E90	E90-R92 PolarHBondContact O-N 2.71Å
93	W	33	Very low	38.2	Very low	135 Å²	135	97.7 Å²	97.7	51%	0.511	48%	0.478	S	S	.	.			trans	-47.3	131.4	-175.2	-43.9	93	0	0	0	114.1	T38 I129	T38-W93 HydrophobicContact CG2-CH2 3.7Å; T38-W93 HydrophobicContact CG2-CZ3 3.93Å; W93-I129 HydrophobicContact CE3-CB 4.41Å; W93-I129 HydrophobicContact CE3-CD1 3.84Å; W93-I129 HydrophobicContact CE3-CG1 3.78Å; W93-I129 HydrophobicContact CE3-CG2 3.78Å; W93-I129 HydrophobicContact CZ3-CB 4.33Å; W93-I129 HydrophobicContact CZ3-CD1 3.46Å; W93-I129 VanDerWaalsContact CZ3-CD1 3.46Å; W93-I129 HydrophobicContact CZ3-CG1 3.85Å; W93-I129 HydrophobicContact CZ3-CG2 3.87Å
94	T	31.9	Very low	37	Very low	125 Å²	125	105.9 Å²	105.9	77%	0.767	50%	0.502	S	S	*	.			trans	-130	169.5	-178.1	40.2	0	0	0	0	115.2
95	H	28.7	Very low	36	Very low	169 Å²	169	108.1 Å²	108.1	78%	0.782	51%	0.511	S	S	*	.			trans	-53.1	165	-153.1	-123.9	-107.6	0	0	0	120.6
96	M	26.8	Very low	34.8	Very low	105 Å²	105	109.9 Å²	109.9	52%	0.517	52%	0.524	S	S	.	.			trans	-88.5	135.6	-176.9	-55.7	174	-73.7	0	0	112.6	R121	M96-R121 PolarHBondContact SD-NH1 2.82Å
97	A	27.5	Very low	34.1	Very low	46 Å²	46	104.7 Å²	104.7	38%	0.38	50%	0.504	S	S	.	.			trans	-126.1	168.8	169.2	0	0	0	0	0	111.7	E143	A97-E143 WeakPolarHBondContact CB-OE1 3.17Å
98	N	30.3	Very low	33.2	Very low	100 Å²	100	108.4 Å²	108.4	54%	0.535	53%	0.529	S	S	.	.			trans	-112.1	113.3	-160.7	-172.6	18.7	0	0	0	111.1
99	L	33	Very low	32.6	Very low	20 Å²	20	108.5 Å²	108.5	11%	0.105	53%	0.533	C	S	.	.			trans	-96.8	97.2	-171.2	-51.8	-180	0	0	0	111.6	N124 Y126 E143	L99-N124 WeakPolarHBondContact CB-O 3.21Å; L99-N124 PolarHBondContact N-O 3.01Å; L99-Y126 HydrophobicContact CD1-CD2 4Å; L99-Y126 HydrophobicContact CD1-CG 4.43Å; L99-E143 HydrophobicContact CD2-CB 3.49Å; L99-E143 VanDerWaalsContact CD2-CB 3.49Å; L99-E143 HydrophobicContact CD2-CG 3.7Å; L99-E143 WeakPolarHBondContact CD2-OE1 3.41Å; L99-E143 WeakPolarHBondContact CD2-OE2 3.3Å
100	Q	30.6	Very low	32.1	Very low	152 Å²	152	105.8 Å²	105.8	71%	0.71	53%	0.528	S	S	*	.			trans	-104.2	-3.2	176	-125	175.4	-8.9	0	0	114.8
101	E	30.5	Very low	32.1	Very low	173 Å²	173	105.1 Å²	105.1	81%	0.808	53%	0.531	S	S	*	.			trans	-118.1	136.9	-172.3	-67.9	-173.1	172.4	0	0	114.3	V145	E101-V145 WeakPolarHBondContact O-CG2 3.22Å
102	Y	27.8	Very low	32.3	Very low	194 Å²	194	107.9 Å²	107.9	76%	0.761	54%	0.541	S	S	*	.			trans	-96.6	122	-173.4	-63.1	-104.3	0	0	0	109.3	L147	Y102-L147 HydrophobicContact CD1-CD2 3.55Å; Y102-L147 HydrophobicContact CE1-CD2 4.23Å; Y102-L147 HydrophobicContact CG-CD2 4.44Å
103	G	35.4	Very low	32.8	Very low	37 Å²	37	100.7 Å²	100.7	38%	0.381	52%	0.517	S	S	.	.			trans	-157.8	154.5	-179.8	0	0	0	0	0	114.2
104	Y	29.2	Very low	33.6	Very low	212 Å²	212	95.7 Å²	95.7	83%	0.831	50%	0.498	S	S	*	.			trans	-68.8	136.8	175.5	-69.2	-86	0	0	0	111.1	N106	Y104-N106 PolarHBondContact O-N 2.88Å
105	F	30.8	Very low	34.7	Very low	66 Å²	66	90.4 Å²	90.4	29%	0.289	47%	0.465	S	S	.	.			trans	-76.9	99.8	175.2	-179.5	-92.1	0	0	0	110.3	A107 F144 M161	F105-A107 HydrophobicContact CD1-CB 4.39Å; F105-A107 HydrophobicContact CD2-CB 3.75Å; F105-A107 HydrophobicContact CE1-CB 3.92Å; F105-A107 HydrophobicContact CE2-CB 3.19Å; F105-A107 HydrophobicContact CG-CB 4.32Å; F105-A107 HydrophobicContact CZ-CB 3.31Å; F105-F144 HydrophobicContact CD2-CB 3.93Å; F105-F144 AromaticContact CD2-CD1 3.33Å; F105-F144 HydrophobicContact CD2-CD1 3.33Å; F105-F144 HydrophobicContact CD2-CE1 4.13Å; F105-F144 AromaticContact CD2-CG 3.81Å; F105-F144 HydrophobicContact CD2-CG 3.81Å; F105-F144 HydrophobicContact CE2-CB 4.02Å; F105-F144 AromaticContact CE2-CD1 3.35Å; F105-F144 HydrophobicContact CE2-CD1 3.35Å; F105-F144 HydrophobicContact CE2-CD2 4.4Å; F105-F144 AromaticContact CE2-CE1 3.9Å; F105-F144 HydrophobicContact CE2-CE1 3.9Å; F105-F144 AromaticContact CE2-CG 3.61Å; F105-F144 HydrophobicContact CE2-CG 3.61Å; F105-M161 HydrophobicContact CZ-SD 4.39Å
106	N	30.1	Very low	36.1	Very low	160 Å²	160	83.3 Å²	83.3	86%	0.856	44%	0.435	S	S	*	.			trans	-114.2	70.1	156	-80.7	-8.8	0	0	0	107.3	Y104	Y104-N106 PolarHBondContact O-N 2.88Å
107	A	32.9	Very low	37.4	Very low	14 Å²	14	78.3 Å²	78.3	12%	0.116	41%	0.41	C	S	.	.			trans	-96.6	108.2	177.4	0	0	0	0	0	110.1	F105 F144	F105-A107 HydrophobicContact CD1-CB 4.39Å; F105-A107 HydrophobicContact CD2-CB 3.75Å; F105-A107 HydrophobicContact CE1-CB 3.92Å; F105-A107 HydrophobicContact CE2-CB 3.19Å; F105-A107 HydrophobicContact CG-CB 4.32Å; F105-A107 HydrophobicContact CZ-CB 3.31Å; A107-F144 HydrophobicContact CB-CD1 3.68Å; A107-F144 HydrophobicContact CB-CE1 3.01Å; A107-F144 HydrophobicContact CB-CZ 3.49Å; A107-F144 VanDerWaalsContact CB-CZ 3.49Å
108	T	29	Very low	38.9	Very low	119 Å²	119	77.4 Å²	77.4	73%	0.73	40%	0.399	S	S	*	.			trans	-85.8	113.1	156.2	46.3	0	0	0	0	106.9
109	C	34.5	Very low	40.1	Very low	35 Å²	35	73.5 Å²	73.5	24%	0.236	38%	0.379	C	S	.	.			trans	-68.1	149.2	164.4	-57.7	0	0	0	0	107.4	E113 R128	C109-E113 HydrophobicContact CB-CB 4.46Å; C109-R128 PolarHBondContact SG-NH1 3.13Å; C109-R128 VanDerWaalsContact SG-NH1 3.4Å
110	G	34.5	Very low	41.1	Very low	41 Å²	41	73 Å²	73	42%	0.423	38%	0.376	S	S	.	.			trans	-61.6	168.2	175.3	0	0	0	0	0	110.8	H112	G110-H112 PolarHBondContact O-N 3.35Å
111	S	40.6	Very low	42	Very low	58 Å²	58	71.8 Å²	71.8	41%	0.406	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	22.9	-176.7	-44.5	0	0	0	0	114.8	V163 V164 S165	S111-V163 VanDerWaalsContact C-C 3.43Å; S111-V163 CarbonylContact C-O 3.57Å; S111-V163 CarbonylContact O-C 3.42Å; S111-V164 CarbonylContact O-C 3.46Å; S111-V164 WeakPolarHBondContact O-CA 3.43Å; S111-V164 PolarHBondContact O-N 2.78Å; S111-S165 PolarHBondContact O-N 3.4Å
112	H	44.4	Very low	42.9	Very low	86 Å²	86	64.6 Å²	64.6	40%	0.398	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.9	19.2	-172.9	-76.5	-73.9	0	0	0	116.6	G110 V163 S165 V166	G110-H112 PolarHBondContact O-N 3.35Å; H112-V163 PolarHBondContact N-O 2.83Å; H112-V163 VanDerWaalsContact N-O 3.09Å; H112-S165 WeakPolarHBondContact CE1-CA 3.16Å; H112-S165 PolarHBondContact CE1-N 2.75Å; H112-S165 PolarHBondContact CE1-O 2.85Å; H112-S165 PolarHBondContact ND1-N 3.11Å; H112-S165 VanDerWaalsContact NE2-CA 3.28Å; H112-S165 WeakPolarHBondContact NE2-CA 3.48Å; H112-S165 PolarHBondContact NE2-N 2.95Å; H112-S165 VanDerWaalsContact NE2-N 3.1Å; H112-S165 PolarHBondContact NE2-O 2.87Å; H112-S165 PolarHBondContact NE2-OG 3.39Å; H112-V166 PolarHBondContact CE1-N 3.33Å
113	E	46.4	Very low	43.8	Very low	67 Å²	67	62.1 Å²	62.1	31%	0.313	33%	0.334	S	S	.	.			trans	-119.9	137.1	-168.5	-67.4	168.4	-177	0	0	109.9	C109 Q130	C109-E113 HydrophobicContact CB-CB 4.46Å; E113-Q130 HydrophobicContact CG-CG 4.25Å; E113-Q130 PolarHBondContact OE1-NE2 3.07Å; E113-Q130 PolarHBondContact OE2-NE2 2.77Å
114	Y	51.2	Low	44.1	Very low	30 Å²	30	64.2 Å²	64.2	12%	0.118	34%	0.337	C	S	.	.			trans	-122.5	148.2	171	73	-92.1	0	0	0	110.4	A44 V72	A44-Y114 HydrophobicContact CB-CD2 3.51Å; A44-Y114 HydrophobicContact CB-CE2 4.39Å; A44-Y114 HydrophobicContact CB-CG 4.04Å; V72-Y114 HydrophobicContact CG2-CE2 4.43Å
115	L	55.1	Low	44.5	Very low	15 Å²	15	58.4 Å²	58.4	8%	0.079	31%	0.313	C	S	.	.			trans	-92.6	117.1	177.1	-72.5	164.7	0	0	0	109.3	I45 R128 M161	I45-L115 HydrophobicContact CB-CB 4.22Å; I45-L115 WeakPolarHBondContact CB-O 3.35Å; I45-L115 HydrophobicContact CD1-CB 4.41Å; I45-L115 WeakPolarHBondContact CG1-O 3.36Å; I45-L115 PolarHBondContact N-O 3.4Å; L115-R128 VanDerWaalsContact CD2-CD 3.49Å; L115-R128 HydrophobicContact CD2-CG 3.4Å; L115-R128 VanDerWaalsContact CD2-CG 3.4Å; L115-M161 HydrophobicContact CD1-CE 3.54Å; L115-M161 HydrophobicContact CD1-SD 3.56Å; L115-M161 VanDerWaalsContact CD1-SD 3.56Å
116	S	57.7	Low	44.9	Very low	20 Å²	20	57.7 Å²	57.7	14%	0.14	31%	0.309	C	S	.	.			trans	-94.8	-12.9	176.9	63.1	0	0	0	0	113.3	T38 C39 I129	T38-S116 CarbonylContact C-O 3.57Å; T38-S116 WeakPolarHBondContact CA-O 3.49Å; C39-S116 PolarHBondContact N-O 3.23Å; S116-I129 WeakPolarHBondContact OG-CG2 3.26Å
117	G	53.5	Low	45.1	Very low	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	159.3	-177.3	0	0	0	0	0	114.5	I37	I37-G117 CarbonylContact O-C 3.57Å; I37-G117 WeakPolarHBondContact O-CA 3.48Å
118	L	60.5	Low	45.5	Very low	27 Å²	27	54 Å²	54	14%	0.141	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.5	172.9	-66.4	170	0	0	0	108.1	R36 I37 I45 A48 V67	R36-L118 CarbonylContact C-O 3.53Å; R36-L118 WeakPolarHBondContact CA-O 3.21Å; I37-L118 PolarHBondContact N-O 3.38Å; I37-L118 PolarHBondContact O-N 3.2Å; I37-L118 VanDerWaalsContact O-O 3.13Å; I45-L118 HydrophobicContact CD1-CD1 4.09Å; I45-L118 HydrophobicContact CD1-CG 3.7Å; A48-L118 HydrophobicContact CB-CD1 3.83Å; V67-L118 HydrophobicContact CG2-CD1 3.9Å
119	S	54.4	Low	45.9	Very low	18 Å²	18	49.5 Å²	49.5	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.9	169.7	65.4	0	0	0	0	111.6	Y35 Y126 V127	Y35-S119 CarbonylContact O-C 2.85Å; Y35-S119 WeakPolarHBondContact O-CA 3.37Å; Y35-S119 VanDerWaalsContact O-CB 3.23Å; Y35-S119 WeakPolarHBondContact O-CB 3.41Å; S119-Y126 CarbonylContact O-C 3.17Å; S119-Y126 WeakPolarHBondContact O-CA 3.27Å; S119-Y126 WeakPolarHBondContact O-CD1 3.27Å; S119-V127 PolarHBondContact N-O 2.87Å; S119-V127 PolarHBondContact O-N 3.03Å; S119-V127 WeakPolarHBondContact OG-CA 3.37Å; S119-V127 WeakPolarHBondContact OG-CB 3.08Å; S119-V127 PolarHBondContact OG-N 2.77Å; S119-V127 PolarHBondContact OG-O 2.71Å
120	R	54.8	Low	46.3	Very low	9 Å²	9	51.3 Å²	51.3	3%	0.034	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135	170.4	-168.6	-178.8	92.7	175	10.4	108.4	H28 S29 D33 S34 Y35 R125 Y126	H28-R120 PolarHBondContact CE1-NH1 3.18Å; H28-R120 PolarHBondContact ND1-NH1 3.13Å; S29-R120 PolarHBondContact O-NH2 2.86Å; D33-R120 VanDerWaalsContact O-CZ 3.24Å; D33-R120 PolarHBondContact O-NE 2.84Å; D33-R120 PolarHBondContact O-NH2 3.17Å; S34-R120 CarbonylContact C-O 3.52Å; S34-R120 WeakPolarHBondContact CA-O 3.28Å; S34-R120 VanDerWaalsContact CB-O 3.31Å; S34-R120 WeakPolarHBondContact CB-O 3.29Å; Y35-R120 HydrophobicContact CD1-CB 3.78Å; Y35-R120 HydrophobicContact CD2-CB 4.47Å; Y35-R120 HydrophobicContact CE1-CB 3.36Å; Y35-R120 HydrophobicContact CE1-CG 4.22Å; Y35-R120 HydrophobicContact CE2-CB 4.11Å; Y35-R120 HydrophobicContact CG-CB 4.32Å; Y35-R120 PolarHBondContact N-O 3.01Å; Y35-R120 PolarHBondContact O-N 2.98Å; Y35-R120 VanDerWaalsContact O-O 3.13Å; R120-R125 CarbonylContact C-O 3.58Å; R120-R125 WeakPolarHBondContact CA-O 3.4Å; R120-Y126 HydrophobicContact CB-CD1 3.67Å; R120-Y126 HydrophobicContact CB-CE1 3.53Å; R120-Y126 VanDerWaalsContact CD-CE1 3.44Å; R120-Y126 VanDerWaalsContact CD-CZ 3.42Å; R120-Y126 VanDerWaalsContact CD-OH 3.27Å; R120-Y126 WeakPolarHBondContact CD-OH 3.49Å; R120-Y126 HydrophobicContact CG-CD1 3.73Å; R120-Y126 HydrophobicContact CG-CE1 3.35Å; R120-Y126 HydrophobicContact CG-CE2 4.23Å; R120-Y126 HydrophobicContact CG-CG 4.32Å
121	R	49.8	Very low	46.1	Very low	126 Å²	126	50.5 Å²	50.5	48%	0.475	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.6	159	-141.7	175.8	177.9	174	-2.2	106.8	S34 M96 R125	S34-R121 WeakPolarHBondContact OG-CA 3.43Å; M96-R121 PolarHBondContact SD-NH1 2.82Å; R121-R125 HydrophobicContact CB-CB 3.82Å; R121-R125 PolarHBondContact N-O 2.76Å; R121-R125 PolarHBondContact O-N 2.88Å; R121-R125 VanDerWaalsContact O-O 3.1Å
122	G	48.5	Very low	45.9	Very low	22 Å²	22	50.9 Å²	50.9	23%	0.227	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	160.4	175.6	0	0	0	0	0	112.1	P31 S34 N124	P31-G122 WeakPolarHBondContact O-CA 3.37Å; S34-G122 PolarHBondContact OG-N 2.51Å; G122-N124 PolarHBondContact O-N 2.72Å
123	M	45.8	Very low	45.4	Very low	142 Å²	142	52.2 Å²	52.2	70%	0.7	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	21	81	-169.6	-66.1	-167	75.7	0	0	114.3	P31	P31-M123 HydrophobicContact CB-CG 4.42Å
124	N	41.7	Very low	44.7	Very low	81 Å²	81	53.1 Å²	53.1	43%	0.433	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	25.7	155	-47	-19.5	0	0	0	119.1	L99 G122	L99-N124 WeakPolarHBondContact CB-O 3.21Å; L99-N124 PolarHBondContact N-O 3.01Å; G122-N124 PolarHBondContact O-N 2.72Å
125	R	38.1	Very low	43.7	Very low	90 Å²	90	57.3 Å²	57.3	34%	0.34	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	125.1	171.8	-46.4	-178.5	-173.4	-172.9	1.1	112.5	R120 R121	R120-R125 CarbonylContact C-O 3.58Å; R120-R125 WeakPolarHBondContact CA-O 3.4Å; R121-R125 HydrophobicContact CB-CB 3.82Å; R121-R125 PolarHBondContact N-O 2.76Å; R121-R125 PolarHBondContact O-N 2.88Å; R121-R125 VanDerWaalsContact O-O 3.1Å
126	Y	39	Very low	42.2	Very low	51 Å²	51	65.5 Å²	65.5	20%	0.2	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.9	165.7	-71.8	-89.1	0	0	0	106.9	L99 S119 R120 L146	L99-Y126 HydrophobicContact CD1-CD2 4Å; L99-Y126 HydrophobicContact CD1-CG 4.43Å; S119-Y126 CarbonylContact O-C 3.17Å; S119-Y126 WeakPolarHBondContact O-CA 3.27Å; S119-Y126 WeakPolarHBondContact O-CD1 3.27Å; R120-Y126 HydrophobicContact CB-CD1 3.67Å; R120-Y126 HydrophobicContact CB-CE1 3.53Å; R120-Y126 VanDerWaalsContact CD-CE1 3.44Å; R120-Y126 VanDerWaalsContact CD-CZ 3.42Å; R120-Y126 VanDerWaalsContact CD-OH 3.27Å; R120-Y126 WeakPolarHBondContact CD-OH 3.49Å; R120-Y126 HydrophobicContact CG-CD1 3.73Å; R120-Y126 HydrophobicContact CG-CE1 3.35Å; R120-Y126 HydrophobicContact CG-CE2 4.23Å; R120-Y126 HydrophobicContact CG-CG 4.32Å; Y126-L146 HydrophobicContact CE1-CB 4.46Å; Y126-L146 HydrophobicContact CE1-CD1 4.19Å
127	V	35.1	Very low	40.7	Very low	40 Å²	40	67.8 Å²	67.8	24%	0.242	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.9	176.5	-172.3	0	0	0	0	108.5	S119	S119-V127 PolarHBondContact N-O 2.87Å; S119-V127 PolarHBondContact O-N 3.03Å; S119-V127 WeakPolarHBondContact OG-CA 3.37Å; S119-V127 WeakPolarHBondContact OG-CB 3.08Å; S119-V127 PolarHBondContact OG-N 2.77Å; S119-V127 PolarHBondContact OG-O 2.71Å
128	R	41.5	Very low	39.4	Very low	58 Å²	58	75.2 Å²	75.2	22%	0.219	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	146.4	169.7	176.4	178	-83.1	-153.6	2.9	108.8	C109 L115 F144	C109-R128 PolarHBondContact SG-NH1 3.13Å; C109-R128 VanDerWaalsContact SG-NH1 3.4Å; L115-R128 VanDerWaalsContact CD2-CD 3.49Å; L115-R128 HydrophobicContact CD2-CG 3.4Å; L115-R128 VanDerWaalsContact CD2-CG 3.4Å; R128-F144 VanDerWaalsContact NH2-CD2 3.34Å
129	I	37	Very low	37.9	Very low	23 Å²	23	79 Å²	79	12%	0.118	44%	0.441	C	S	.	.			trans	-112.8	127.9	-179.7	-59.8	130.9	0	0	0	108.1	W93 S116	W93-I129 HydrophobicContact CE3-CB 4.41Å; W93-I129 HydrophobicContact CE3-CD1 3.84Å; W93-I129 HydrophobicContact CE3-CG1 3.78Å; W93-I129 HydrophobicContact CE3-CG2 3.78Å; W93-I129 HydrophobicContact CZ3-CB 4.33Å; W93-I129 HydrophobicContact CZ3-CD1 3.46Å; W93-I129 VanDerWaalsContact CZ3-CD1 3.46Å; W93-I129 HydrophobicContact CZ3-CG1 3.85Å; W93-I129 HydrophobicContact CZ3-CG2 3.87Å; S116-I129 WeakPolarHBondContact OG-CG2 3.26Å
130	Q	42	Very low	36.5	Very low	74 Å²	74	84.8 Å²	84.8	35%	0.346	47%	0.47	S	S	.	.			trans	-131.3	144.7	-177.9	-176.7	-175.8	2.3	0	0	110.2	E113	E113-Q130 HydrophobicContact CG-CG 4.25Å; E113-Q130 PolarHBondContact OE1-NE2 3.07Å; E113-Q130 PolarHBondContact OE2-NE2 2.77Å
131	S	31.8	Very low	35.3	Very low	23 Å²	23	90.5 Å²	90.5	16%	0.161	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-82.6	140	-179.6	178.2	0	0	0	0	112.7	C91	C91-S131 WeakPolarHBondContact SG-CA 3.49Å; C91-S131 WeakPolarHBondContact SG-CB 3.44Å; C91-S131 PolarHBondContact SG-OG 3.47Å
132	T	36.6	Very low	34.2	Very low	66 Å²	66	91 Å²	91	41%	0.405	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-99.5	136.5	175.3	46.6	0	0	0	0	111.3
133	S	32.1	Very low	33.4	Very low	114 Å²	114	94 Å²	94	80%	0.797	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-103.4	125.7	151.1	64.3	0	0	0	0	108.7	V135	S133-V135 PolarHBondContact O-N 2.98Å
134	S	31.5	Very low	32.8	Very low	87 Å²	87	89.3 Å²	89.3	61%	0.608	49%	0.489	S	S	*	.			trans	-76.1	115.5	170.3	57.9	0	0	0	0	108.7
135	V	30.6	Very low	32.4	Very low	117 Å²	117	87.4 Å²	87.4	71%	0.709	48%	0.481	S	S	*	.	S	Bend	trans	165.4	96.2	140	164	0	0	0	0	106	S133	S133-V135 PolarHBondContact O-N 2.98Å
136	H	25.1	Very low	32.3	Very low	187 Å²	187	86 Å²	86	87%	0.866	48%	0.479	S	S	*	.	S	Bend	trans	73	108.2	170.4	-50.4	-55.4	0	0	0	118.7
137	G	25.5	Very low	32.2	Very low	69 Å²	69	87.5 Å²	87.5	71%	0.711	49%	0.491	S	S	*	.	S	Bend	trans	125.3	101.2	154	0	0	0	0	0	114.8	C139	G137-C139 PolarHBondContact O-N 3.5Å
138	N	26.9	Very low	32.1	Very low	155 Å²	155	88 Å²	88	83%	0.829	50%	0.503	S	S	*	.			trans	12.1	96.8	157.9	-60.2	-21.1	0	0	0	117	L140	N138-L140 PolarHBondContact O-N 3.41Å
139	C	27.2	Very low	31.8	Very low	106 Å²	106	94.8 Å²	94.8	72%	0.716	53%	0.529	S	S	*	.			trans	-60.9	117.9	168.2	-59.5	0	0	0	0	110.3	G137	G137-C139 PolarHBondContact O-N 3.5Å
140	L	25.8	Very low	31.7	Very low	141 Å²	141	99.5 Å²	99.5	74%	0.738	55%	0.554	S	S	*	*			trans	-103.1	107.4	172.4	-83.9	160.1	0	0	0	109.3	N138 K142	N138-L140 PolarHBondContact O-N 3.41Å; L140-K142 PolarHBondContact O-N 2.93Å
141	I	28.7	Very low	31.4	Very low	128 Å²	128	100.6 Å²	100.6	66%	0.656	56%	0.56	S	S	*	*			trans	-66.2	126.4	174.3	-58.8	168.6	0	0	0	107.9	E143	I141-E143 HydrophobicContact CG2-CG 4.4Å
142	K	27.2	Very low	31.8	Very low	137 Å²	137	105.4 Å²	105.4	60%	0.596	58%	0.584	S	S	*	*			trans	-113.5	123.7	170.7	-72.2	-176.7	179	176.7	0	110.5	L140 F144	L140-K142 PolarHBondContact O-N 2.93Å; K142-F144 HydrophobicContact CB-CE2 3.91Å; K142-F144 HydrophobicContact CB-CZ 3.66Å; K142-F144 WeakPolarHBondContact O-CD2 3.3Å; K142-F144 WeakPolarHBondContact O-CE2 3.47Å
143	E	32.8	Very low	31.9	Very low	85 Å²	85	106.4 Å²	106.4	40%	0.397	59%	0.586	S	S	.	*			trans	-96.5	147.4	-176.9	-60.9	176.9	138.4	0	0	110.3	A97 L99 I141	A97-E143 WeakPolarHBondContact CB-OE1 3.17Å; L99-E143 HydrophobicContact CD2-CB 3.49Å; L99-E143 VanDerWaalsContact CD2-CB 3.49Å; L99-E143 HydrophobicContact CD2-CG 3.7Å; L99-E143 WeakPolarHBondContact CD2-OE1 3.41Å; L99-E143 WeakPolarHBondContact CD2-OE2 3.3Å; I141-E143 HydrophobicContact CG2-CG 4.4Å
144	F	31.6	Very low	32.2	Very low	43 Å²	43	102.4 Å²	102.4	19%	0.189	56%	0.556	C	S	.	*			trans	-134.7	135.8	-177.2	-58.2	-75	0	0	0	111.8	F105 A107 R128 K142	F105-F144 HydrophobicContact CD2-CB 3.93Å; F105-F144 AromaticContact CD2-CD1 3.33Å; F105-F144 HydrophobicContact CD2-CD1 3.33Å; F105-F144 HydrophobicContact CD2-CE1 4.13Å; F105-F144 AromaticContact CD2-CG 3.81Å; F105-F144 HydrophobicContact CD2-CG 3.81Å; F105-F144 HydrophobicContact CE2-CB 4.02Å; F105-F144 AromaticContact CE2-CD1 3.35Å; F105-F144 HydrophobicContact CE2-CD1 3.35Å; F105-F144 HydrophobicContact CE2-CD2 4.4Å; F105-F144 AromaticContact CE2-CE1 3.9Å; F105-F144 HydrophobicContact CE2-CE1 3.9Å; F105-F144 AromaticContact CE2-CG 3.61Å; F105-F144 HydrophobicContact CE2-CG 3.61Å; A107-F144 HydrophobicContact CB-CD1 3.68Å; A107-F144 HydrophobicContact CB-CE1 3.01Å; A107-F144 HydrophobicContact CB-CZ 3.49Å; A107-F144 VanDerWaalsContact CB-CZ 3.49Å; R128-F144 VanDerWaalsContact NH2-CD2 3.34Å; K142-F144 HydrophobicContact CB-CE2 3.91Å; K142-F144 HydrophobicContact CB-CZ 3.66Å; K142-F144 WeakPolarHBondContact O-CD2 3.3Å; K142-F144 WeakPolarHBondContact O-CE2 3.47Å
145	V	34.4	Very low	32.4	Very low	41 Å²	41	100.2 Å²	100.2	25%	0.248	54%	0.537	C	S	.	.			trans	-103.8	115.6	-173.4	-171	0	0	0	0	108.9	E101 L147	E101-V145 WeakPolarHBondContact O-CG2 3.22Å; V145-L147 HydrophobicContact CB-CG 4.48Å; V145-L147 HydrophobicContact CG1-CD2 3.5Å; V145-L147 HydrophobicContact CG1-CG 3.67Å; V145-L147 PolarHBondContact O-N 3.33Å
146	L	35.2	Very low	32.7	Very low	60 Å²	60	95.6 Å²	95.6	31%	0.314	51%	0.508	S	S	.	.			trans	-83.7	90	166.2	-65.1	175.1	0	0	0	107.8	Y126 G148 I154	Y126-L146 HydrophobicContact CE1-CB 4.46Å; Y126-L146 HydrophobicContact CE1-CD1 4.19Å; L146-G148 PolarHBondContact O-N 2.73Å; L146-I154 HydrophobicContact CD2-CD1 4.19Å
147	L	37.8	Very low	33	Very low	84 Å²	84	91.5 Å²	91.5	44%	0.44	49%	0.489	S	S	.	.			trans	-76.4	108.6	169.8	-65	176.9	0	0	0	107.7	Y102 V145 R149	Y102-L147 HydrophobicContact CD1-CD2 3.55Å; Y102-L147 HydrophobicContact CE1-CD2 4.23Å; Y102-L147 HydrophobicContact CG-CD2 4.44Å; V145-L147 HydrophobicContact CB-CG 4.48Å; V145-L147 HydrophobicContact CG1-CD2 3.5Å; V145-L147 HydrophobicContact CG1-CG 3.67Å; V145-L147 PolarHBondContact O-N 3.33Å; L147-R149 PolarHBondContact O-N 3.16Å
148	G	33.5	Very low	33.4	Very low	49 Å²	49	96.4 Å²	96.4	51%	0.505	49%	0.494	S	S	.	.			trans	-60.3	94.1	178.6	0	0	0	0	0	111.7	L146	L146-G148 PolarHBondContact O-N 2.73Å
149	R	33.8	Very low	33.9	Very low	202 Å²	202	93.7 Å²	93.7	76%	0.762	48%	0.475	S	S	*	.			trans	-110.5	143	143.2	-72.4	-169.7	-174.2	-169	3.1	106.2	L147 Q151	L147-R149 PolarHBondContact O-N 3.16Å; R149-Q151 VanDerWaalsContact C-N 3.33Å; R149-Q151 PolarHBondContact O-N 3.06Å
150	D	36	Very low	33.9	Very low	121 Å²	121	95.9 Å²	95.9	65%	0.647	47%	0.474	S	S	*	.			trans	-45.9	99.6	171.1	-69.2	-34.1	0	0	0	108.8	V52	V52-D150 WeakPolarHBondContact CG2-OD1 3.48Å
151	Q	35.7	Very low	34.1	Very low	98 Å²	98	90.7 Å²	90.7	46%	0.458	45%	0.447	S	S	.	.			trans	-117.5	92.4	164.6	-74.8	-160.6	-9.1	0	0	103.7	L50 R149 D153 I154	L50-Q151 VanDerWaalsContact O-O 3.13Å; R149-Q151 VanDerWaalsContact C-N 3.33Å; R149-Q151 PolarHBondContact O-N 3.06Å; Q151-D153 VanDerWaalsContact C-N 3.35Å; Q151-D153 PolarHBondContact O-N 3.33Å; Q151-I154 HydrophobicContact CB-CG1 4.18Å
152	D	40.2	Very low	34.1	Very low	124 Å²	124	88.1 Å²	88.1	66%	0.663	43%	0.433	S	S	*	.	S	Bend	trans	-53.1	106.9	164	-60.6	-41.7	0	0	0	105.9
153	D	38	Very low	34.5	Very low	86 Å²	86	85.5 Å²	85.5	46%	0.46	43%	0.429	S	S	.	.			trans	59	99.6	-178.6	-55.8	-28.3	0	0	0	115.8	S49 Q151 D155	S49-D153 WeakPolarHBondContact CB-OD1 3.42Å; S49-D153 PolarHBondContact OG-OD1 2.65Å; Q151-D153 VanDerWaalsContact C-N 3.35Å; Q151-D153 PolarHBondContact O-N 3.33Å; D153-D155 VanDerWaalsContact C-N 3.29Å; D153-D155 PolarHBondContact O-N 2.84Å
154	I	38.9	Very low	34.2	Very low	30 Å²	30	83.8 Å²	83.8	15%	0.154	42%	0.424	C	S	.	.			trans	-71.1	95.7	157.1	-59.2	176.7	0	0	0	106.7	L146 Q151 M156 K159	L146-I154 HydrophobicContact CD2-CD1 4.19Å; Q151-I154 HydrophobicContact CB-CG1 4.18Å; I154-M156 HydrophobicContact CG2-CE 4.49Å; I154-M156 HydrophobicContact CG2-CG 4.1Å; I154-M156 PolarHBondContact O-N 3.49Å; I154-K159 HydrophobicContact CG2-CD 4.24Å
155	D	35.6	Very low	34.1	Very low	41 Å²	41	84.6 Å²	84.6	22%	0.219	44%	0.435	C	S	.	.			trans	-67.8	103	168.2	-149.7	-30.5	0	0	0	109.2	K47 D153 E157 K159	K47-D155 VanDerWaalsContact NZ-CG 3.32Å; K47-D155 IonicContact NZ-OD1 3.77Å; K47-D155 IonicContact NZ-OD2 2.72Å; K47-D155 PolarHBondContact NZ-OD2 2.74Å; D153-D155 VanDerWaalsContact C-N 3.29Å; D153-D155 PolarHBondContact O-N 2.84Å; D155-E157 PolarHBondContact O-N 3.09Å; D155-E157 VanDerWaalsContact OD1-CB 3.26Å; D155-E157 WeakPolarHBondContact OD1-CB 3.32Å; D155-E157 WeakPolarHBondContact OD1-CG 3.03Å; D155-E157 PolarHBondContact OD1-N 2.81Å; D155-K159 PolarHBondContact O-N 3.34Å
156	M	37.2	Very low	33.7	Very low	20 Å²	20	86.1 Å²	86.1	10%	0.099	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.1	177.1	-65.1	-174.8	167.2	0	0	111.4	I45 A48 I154 M161	I45-M156 HydrophobicContact CG2-SD 4.33Å; A48-M156 HydrophobicContact CB-CE 3.71Å; A48-M156 HydrophobicContact CB-SD 3.89Å; I154-M156 HydrophobicContact CG2-CE 4.49Å; I154-M156 HydrophobicContact CG2-CG 4.1Å; I154-M156 PolarHBondContact O-N 3.49Å; M156-M161 HydrophobicContact CB-CE 3.78Å; M156-M161 HydrophobicContact CE-CE 4.13Å; M156-M161 HydrophobicContact CG-CE 3.72Å; M156-M161 PolarHBondContact O-N 3.1Å; M156-M161 HydrophobicContact SD-CE 3.27Å; M156-M161 WeakPolarHBondContact SD-CE 3.4Å
157	E	31.7	Very low	33.1	Very low	102 Å²	102	88.3 Å²	88.3	48%	0.477	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-50	172	-61.7	-169.2	155.3	0	0	111.3	Q46 D155 K159 Q160	Q46-E157 HydrophobicContact CG-CG 4.46Å; Q46-E157 PolarHBondContact NE2-OE1 3.1Å; D155-E157 PolarHBondContact O-N 3.09Å; D155-E157 VanDerWaalsContact OD1-CB 3.26Å; D155-E157 WeakPolarHBondContact OD1-CB 3.32Å; D155-E157 WeakPolarHBondContact OD1-CG 3.03Å; D155-E157 PolarHBondContact OD1-N 2.81Å; E157-K159 PolarHBondContact O-N 2.94Å; E157-Q160 PolarHBondContact O-N 3.48Å; E157-Q160 VanDerWaalsContact O-N 3.16Å
158	E	34	Very low	32.5	Very low	172 Å²	172	93.2 Å²	93.2	80%	0.804	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-27.5	178.7	-74.1	-166.2	162.6	0	0	112.7	Q160	E158-Q160 PolarHBondContact O-N 3.4Å
159	K	36.6	Very low	32.4	Very low	98 Å²	98	102.5 Å²	102.5	43%	0.426	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	14.3	176.9	-65.4	-173.5	-178.6	174.6	0	113.9	I154 D155 E157	I154-K159 HydrophobicContact CG2-CD 4.24Å; D155-K159 PolarHBondContact O-N 3.34Å; E157-K159 PolarHBondContact O-N 2.94Å
160	Q	27.6	Very low	32.3	Very low	151 Å²	151	97.6 Å²	97.6	71%	0.706	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	77.8	173.9	-61.8	-175.4	-15.8	0	0	114.1	E157 E158	E157-Q160 PolarHBondContact O-N 3.48Å; E157-Q160 VanDerWaalsContact O-N 3.16Å; E158-Q160 PolarHBondContact O-N 3.4Å
161	M	30	Very low	32.2	Very low	33 Å²	33	96.3 Å²	96.3	16%	0.163	50%	0.496	C	S	.	.			trans	-120.8	63.1	163.5	-69.4	-160.7	-58.1	0	0	112.5	F105 L115 M156	F105-M161 HydrophobicContact CZ-SD 4.39Å; L115-M161 HydrophobicContact CD1-CE 3.54Å; L115-M161 HydrophobicContact CD1-SD 3.56Å; L115-M161 VanDerWaalsContact CD1-SD 3.56Å; M156-M161 HydrophobicContact CB-CE 3.78Å; M156-M161 HydrophobicContact CE-CE 4.13Å; M156-M161 HydrophobicContact CG-CE 3.72Å; M156-M161 PolarHBondContact O-N 3.1Å; M156-M161 HydrophobicContact SD-CE 3.27Å; M156-M161 WeakPolarHBondContact SD-CE 3.4Å
162	I	27.4	Very low	32	Very low	73 Å²	73	96.2 Å²	96.2	37%	0.374	50%	0.498	S	S	.	.			trans	-152.2	97.9	161.9	-52.4	175.3	0	0	0	108.3	L75 F76	L75-I162 HydrophobicContact CD2-CD1 3.74Å; F76-I162 HydrophobicContact CD1-CG2 3.9Å; F76-I162 HydrophobicContact CE1-CB 4.48Å; F76-I162 HydrophobicContact CE1-CG2 3.33Å; F76-I162 HydrophobicContact CZ-CG2 3.8Å
163	V	36.6	Very low	31.5	Very low	83 Å²	83	94.6 Å²	94.6	50%	0.503	49%	0.488	S	S	.	.			trans	-149.7	150	164	-167.4	0	0	0	0	112.2	S111 H112	S111-V163 VanDerWaalsContact C-C 3.43Å; S111-V163 CarbonylContact C-O 3.57Å; S111-V163 CarbonylContact O-C 3.42Å; H112-V163 PolarHBondContact N-O 2.83Å; H112-V163 VanDerWaalsContact N-O 3.09Å
164	V	27.3	Very low	31.1	Very low	49 Å²	49	95.1 Å²	95.1	30%	0.297	49%	0.49	S	S	.	.			trans	-126.5	145.5	-173.2	143	0	0	0	0	108.7	F76 F79 S111 V166	F76-V164 HydrophobicContact CD1-CB 4.3Å; F76-V164 HydrophobicContact CD1-CG2 3.21Å; F76-V164 HydrophobicContact CE1-CG2 3.39Å; F76-V164 HydrophobicContact CG-CG2 4.01Å; F76-V164 HydrophobicContact CZ-CG2 4.35Å; F79-V164 HydrophobicContact CD2-CG1 4.27Å; F79-V164 HydrophobicContact CD2-CG2 4.02Å; F79-V164 HydrophobicContact CE2-CB 3.4Å; F79-V164 VanDerWaalsContact CE2-CB 3.4Å; F79-V164 HydrophobicContact CE2-CG1 3.04Å; F79-V164 HydrophobicContact CE2-CG2 2.97Å; F79-V164 HydrophobicContact CZ-CB 3.68Å; F79-V164 HydrophobicContact CZ-CG1 3.24Å; F79-V164 HydrophobicContact CZ-CG2 3.28Å; S111-V164 CarbonylContact O-C 3.46Å; S111-V164 WeakPolarHBondContact O-CA 3.43Å; S111-V164 PolarHBondContact O-N 2.78Å; V164-V166 HydrophobicContact CG1-CG2 4.47Å
165	S	28.5	Very low	30.5	Very low	59 Å²	59	99.5 Å²	99.5	41%	0.413	51%	0.512	S	S	.	.			trans	-145	75.7	160.7	86.5	0	0	0	0	115.9	S111 H112 S167	S111-S165 PolarHBondContact O-N 3.4Å; H112-S165 WeakPolarHBondContact CE1-CA 3.16Å; H112-S165 PolarHBondContact CE1-N 2.75Å; H112-S165 PolarHBondContact CE1-O 2.85Å; H112-S165 PolarHBondContact ND1-N 3.11Å; H112-S165 VanDerWaalsContact NE2-CA 3.28Å; H112-S165 WeakPolarHBondContact NE2-CA 3.48Å; H112-S165 PolarHBondContact NE2-N 2.95Å; H112-S165 VanDerWaalsContact NE2-N 3.1Å; H112-S165 PolarHBondContact NE2-O 2.87Å; H112-S165 PolarHBondContact NE2-OG 3.39Å; S165-S167 PolarHBondContact O-N 3.4Å
166	V	25.5	Very low	30.2	Very low	74 Å²	74	103.6 Å²	103.6	45%	0.448	53%	0.533	S	S	.	.			trans	-64.1	112.6	175.1	-175.6	0	0	0	0	108.9	F79 H112 V164 Y168	F79-V166 HydrophobicContact CD1-CG2 4.39Å; F79-V166 HydrophobicContact CE1-CG2 3.59Å; F79-V166 HydrophobicContact CE2-CG2 4.37Å; F79-V166 HydrophobicContact CZ-CG2 3.59Å; H112-V166 PolarHBondContact CE1-N 3.33Å; V164-V166 HydrophobicContact CG1-CG2 4.47Å; V166-Y168 HydrophobicContact CG1-CD2 3.97Å; V166-Y168 HydrophobicContact CG1-CE1 4.46Å; V166-Y168 HydrophobicContact CG1-CE2 3.53Å
167	S	24.3	Very low	29.6	Very low	106 Å²	106	110.1 Å²	110.1	74%	0.741	57%	0.566	S	S	*	*			trans	-107.4	111.6	165.4	58.9	0	0	0	0	108.5	S165	S165-S167 PolarHBondContact O-N 3.4Å
168	Y	24.6	Very low	29.5	Very low	186 Å²	186	110.8 Å²	110.8	73%	0.729	57%	0.574	S	S	*	*			trans	-71.4	123.4	165	-63.6	-88.1	0	0	0	107.5	V166	V166-Y168 HydrophobicContact CG1-CD2 3.97Å; V166-Y168 HydrophobicContact CG1-CE1 4.46Å; V166-Y168 HydrophobicContact CG1-CE2 3.53Å
169	L	31.4	Very low	29.1	Very low	245 Å²	245	105.2 Å²	105.2	100%	1.283	55%	0.553	S	S	*	*			trans	-70.6	0	153.6	-75.4	169.9	0	0	0	108.6

Retrieved 169 of 169 residues in 30.4 ms (Link to these results)

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