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Isoform 4 of Peroxisomal coenzyme A diphosphatase NUDT7 AlphaSync

Canonical isoform description: Fatty acyl-coenzyme A (CoA) diphosphatase that hydrolyzes fatty acyl-CoA to yield acyl-4'-phosphopantetheine and adenosine 3',5'-bisphosphate^1,2,3. Cleaves CoA, CoA esters and oxidized CoA with similar efficiencies⁴. Preferentially hydrolyzes medium-chain acyl-CoAs and bile acid-CoAs⁵. Has no activity toward NDP-sugars, CDP-alcohols, (deoxy)nucleoside 5'-triphosphates, nucleoside 5'-di or monophosphates, diadenosine polyphosphates, NAD, NADH, NADP, NADPH or thymidine-5'-monophospho-p-nitrophenyl ester⁶. May be required to eliminate oxidized CoA from peroxisomes, or regulate CoA and acyl-CoA levels in this organelle in response to metabolic demand⁷. Does not play a role in U8 snoRNA decapping activity⁸. Binds U8 snoRNA⁹. Exhibits decapping activity towards dpCoA-capped RNAs in vitro¹⁰.

AlphaFold DB , UniProt , Accession Q99P30-4 (canonical: Q99P30), Species MOUSE (Mus musculus, Mouse), Gene Nudt7, Length 207 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	70.7	Confident	67.6	Low	103 Å²	103	39.5 Å²	39.5	51%	0.507	21%	0.208	S	C	.	.				0	140.6	0	-149.2	162	-172	0	0	109.1	R49 D56 L91	M1-R49 PolarHBondContact O-N 2.92Å; M1-D56 WeakPolarHBondContact CE-OD2 3.3Å; M1-L91 CarbonylContact C-O 3.53Å; M1-L91 WeakPolarHBondContact CA-O 3.34Å; M1-L91 HydrophobicContact CE-CD2 3.79Å; M1-L91 HydrophobicContact CG-CD2 4.32Å
2	R	80.9	Confident	64.8	Low	41 Å²	41	43.1 Å²	43.1	16%	0.155	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	163	178.6	-71.3	-178	178.5	-88.1	-5.6	108.5	L35 G47 L91 V92 T93	R2-L35 VanDerWaalsContact CZ-CG 3.43Å; R2-L35 VanDerWaalsContact NH2-CD2 3.32Å; R2-G47 WeakPolarHBondContact CA-O 3.41Å; R2-G47 VanDerWaalsContact CB-O 3.25Å; R2-G47 WeakPolarHBondContact CB-O 3.32Å; R2-G47 WeakPolarHBondContact CG-O 3.31Å; R2-L91 PolarHBondContact N-O 3.14Å; R2-V92 HydrophobicContact CB-CG2 4.2Å; R2-V92 CarbonylContact O-C 3.56Å; R2-V92 VanDerWaalsContact O-CA 3.27Å; R2-V92 WeakPolarHBondContact O-CA 3.45Å; R2-T93 PolarHBondContact O-N 2.95Å
3	V	75.8	Confident	62.1	Low	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.4	179.5	-57.5	0	0	0	0	110.8	G46 G47 D56 T59 A60 T93	V3-G46 CarbonylContact O-C 3.19Å; V3-G46 WeakPolarHBondContact O-CA 3.47Å; V3-G47 PolarHBondContact N-O 3.17Å; V3-G47 VanDerWaalsContact N-O 3.09Å; V3-D56 HydrophobicContact CG1-CB 3.76Å; V3-D56 WeakPolarHBondContact CG1-O 3.37Å; V3-T59 HydrophobicContact CB-CG2 4.41Å; V3-T59 HydrophobicContact CG1-CG2 4.15Å; V3-T59 HydrophobicContact CG2-CG2 3.38Å; V3-A60 HydrophobicContact CB-CB 4.16Å; V3-A60 VanDerWaalsContact CG2-CA 3.49Å; V3-A60 HydrophobicContact CG2-CB 3.81Å; V3-T93 VanDerWaalsContact CA-O 3.22Å; V3-T93 WeakPolarHBondContact CA-O 3.11Å
4	R	79.7	Confident	59.7	Low	18 Å²	18	51.2 Å²	51.2	7%	0.068	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	128	173.6	-70.3	-60.3	-166.9	176.6	6.9	109.8	R37 C43 F44 P45 G46 V92 T93 P94 V95 M162	R4-R37 VanDerWaalsContact NH2-CZ 3.27Å; R4-R37 VanDerWaalsContact NH2-NH2 3.13Å; R4-C43 PolarHBondContact NH2-SG 3.26Å; R4-C43 VanDerWaalsContact NH2-SG 3.36Å; R4-F44 HydrophobicContact CB-CB 3.92Å; R4-F44 WeakPolarHBondContact CD-O 3.46Å; R4-F44 HydrophobicContact CG-CB 4.35Å; R4-F44 PolarHBondContact NH1-O 2.74Å; R4-P45 CarbonylContact C-O 3.21Å; R4-P45 VanDerWaalsContact CA-O 3.32Å; R4-P45 WeakPolarHBondContact CA-O 3.34Å; R4-G46 PolarHBondContact NH1-O 2.77Å; R4-V92 HydrophobicContact CB-CG1 4.32Å; R4-V92 HydrophobicContact CG-CG1 3.64Å; R4-T93 PolarHBondContact N-O 2.91Å; R4-P94 CarbonylContact O-C 3.6Å; R4-P94 WeakPolarHBondContact O-CA 3.24Å; R4-V95 PolarHBondContact O-N 2.83Å; R4-M162 HydrophobicContact CG-CE 4.02Å
5	T	76	Confident	57.5	Low	4 Å²	4	55.3 Å²	55.3	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.1	-179.5	-49.7	0	0	0	0	109.5	F44 P45 A60 A64 V95	T5-F44 WeakPolarHBondContact O-CB 3.39Å; T5-F44 WeakPolarHBondContact O-CD1 3.28Å; T5-P45 PolarHBondContact N-O 3.4Å; T5-P45 VanDerWaalsContact O-CD 3.24Å; T5-P45 WeakPolarHBondContact O-CD 3.28Å; T5-A60 WeakPolarHBondContact OG1-CB 3.41Å; T5-A60 PolarHBondContact OG1-O 2.9Å; T5-A64 HydrophobicContact CG2-CB 4.25Å; T5-V95 CarbonylContact C-O 3.57Å; T5-V95 WeakPolarHBondContact CA-O 3.26Å
6	I	78.1	Confident	55.6	Low	0 Å²	0	62.3 Å²	62.3	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	110.3	179.9	-50.2	-177.7	0	0	0	107.1	F8 V24 F44 L81 P94 V95 V96 G97 L166 V170	I6-F8 HydrophobicContact CB-CE2 4.24Å; I6-F8 HydrophobicContact CG2-CD2 4.45Å; I6-F8 HydrophobicContact CG2-CE1 4.36Å; I6-F8 HydrophobicContact CG2-CE2 3.26Å; I6-F8 HydrophobicContact CG2-CZ 3.22Å; I6-V24 HydrophobicContact CG2-CG2 3.96Å; I6-F44 HydrophobicContact CB-CD1 4.17Å; I6-F44 HydrophobicContact CB-CE1 3.87Å; I6-F44 HydrophobicContact CB-CZ 4.4Å; I6-F44 HydrophobicContact CD1-CD2 4.46Å; I6-F44 HydrophobicContact CD1-CE1 4.28Å; I6-F44 HydrophobicContact CD1-CE2 4.1Å; I6-F44 HydrophobicContact CD1-CZ 3.99Å; I6-F44 HydrophobicContact CG1-CD1 3.8Å; I6-F44 HydrophobicContact CG1-CD2 4.17Å; I6-F44 HydrophobicContact CG1-CE1 3.66Å; I6-F44 HydrophobicContact CG1-CE2 4.14Å; I6-F44 HydrophobicContact CG1-CG 4.01Å; I6-F44 HydrophobicContact CG1-CZ 3.88Å; I6-F44 HydrophobicContact CG2-CD1 4.21Å; I6-F44 HydrophobicContact CG2-CE1 3.43Å; I6-F44 VanDerWaalsContact CG2-CE1 3.43Å; I6-F44 HydrophobicContact CG2-CZ 3.83Å; I6-L81 HydrophobicContact CD1-CD1 4.26Å; I6-P94 HydrophobicContact CD1-CB 3.93Å; I6-V95 PolarHBondContact N-O 2.77Å; I6-V96 HydrophobicContact CB-CG2 4.26Å; I6-V96 HydrophobicContact CD1-CG2 4.43Å; I6-V96 CarbonylContact O-C 3.51Å; I6-V96 WeakPolarHBondContact O-CA 3.49Å; I6-G97 PolarHBondContact O-N 3.13Å; I6-L166 HydrophobicContact CD1-CB 3.99Å; I6-L166 HydrophobicContact CD1-CD1 4.36Å; I6-V170 HydrophobicContact CD1-CG2 4.18Å; I6-V170 HydrophobicContact CG2-CG2 4.3Å
7	C	68.6	Low	54.2	Low	10 Å²	10	73.2 Å²	73.2	7%	0.068	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.7	-175.6	-71.3	0	0	0	0	112.2	D23 G97 L99	C7-D23 CarbonylContact C-O 3.53Å; C7-D23 HydrophobicContact CB-CB 4.5Å; C7-D23 CarbonylContact O-C 3.25Å; C7-D23 WeakPolarHBondContact O-CA 3.05Å; C7-D23 WeakPolarHBondContact O-CB 3.18Å; C7-D23 PolarHBondContact O-N 2.88Å; C7-G97 CarbonylContact C-O 3.43Å; C7-G97 VanDerWaalsContact CA-O 3.31Å; C7-G97 WeakPolarHBondContact CA-O 3.11Å; C7-L99 HydrophobicContact CB-CB 4.22Å; C7-L99 HydrophobicContact CB-CD1 4.24Å; C7-L99 HydrophobicContact CB-CD2 4.46Å
8	F	64.7	Low	52.9	Low	6 Å²	6	79 Å²	79	3%	0.026	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.2	173.8	-56.1	-81.6	0	0	0	109.6	I6 K10 A22 V24 V96 G97 F98 L99 L120 V170 I174	I6-F8 HydrophobicContact CB-CE2 4.24Å; I6-F8 HydrophobicContact CG2-CD2 4.45Å; I6-F8 HydrophobicContact CG2-CE1 4.36Å; I6-F8 HydrophobicContact CG2-CE2 3.26Å; I6-F8 HydrophobicContact CG2-CZ 3.22Å; F8-K10 PolarHBondContact O-N 3.42Å; F8-A22 HydrophobicContact CD1-CB 3.42Å; F8-A22 VanDerWaalsContact CD1-CB 3.42Å; F8-A22 HydrophobicContact CE1-CB 3.44Å; F8-A22 VanDerWaalsContact CE1-CB 3.44Å; F8-V24 HydrophobicContact CD1-CG2 4.43Å; F8-V24 HydrophobicContact CE1-CG2 3.64Å; F8-V24 HydrophobicContact CZ-CG2 3.84Å; F8-V96 HydrophobicContact CD2-CG1 4.14Å; F8-V96 HydrophobicContact CE2-CG1 3.93Å; F8-G97 PolarHBondContact N-O 2.81Å; F8-F98 HydrophobicContact CB-CD1 4.34Å; F8-F98 CarbonylContact O-C 3.51Å; F8-F98 WeakPolarHBondContact O-CA 3.43Å; F8-L99 PolarHBondContact O-N 2.48Å; F8-L120 HydrophobicContact CD1-CD1 4.32Å; F8-L120 HydrophobicContact CD1-CD2 3.99Å; F8-L120 HydrophobicContact CE1-CD1 3.65Å; F8-L120 HydrophobicContact CE1-CD2 4.06Å; F8-L120 HydrophobicContact CE1-CG 4.39Å; F8-L120 HydrophobicContact CZ-CD1 4.41Å; F8-V170 HydrophobicContact CD2-CG1 4.23Å; F8-V170 HydrophobicContact CE1-CG1 4.06Å; F8-V170 HydrophobicContact CE2-CB 4.29Å; F8-V170 HydrophobicContact CE2-CG1 3.3Å; F8-V170 HydrophobicContact CZ-CB 3.86Å; F8-V170 HydrophobicContact CZ-CG1 3.18Å; F8-V170 HydrophobicContact CZ-CG2 4.42Å; F8-I174 HydrophobicContact CD2-CD1 3.97Å; F8-I174 HydrophobicContact CE2-CD1 4.2Å; F8-I174 HydrophobicContact CG-CD1 4.16Å
9	P	51.4	Low	51.8	Low	37 Å²	37	83.6 Å²	83.6	24%	0.24	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	137.5	-178.3	22.8	-20.4	0	0	0	108.6	S11 R21 D23	P9-S11 PolarHBondContact O-N 3.01Å; P9-R21 WeakPolarHBondContact CD-O 3.03Å; P9-R21 WeakPolarHBondContact CG-O 3.36Å; P9-D23 WeakPolarHBondContact CA-OD2 3.33Å; P9-D23 VanDerWaalsContact CB-OD2 3.24Å; P9-D23 WeakPolarHBondContact CB-OD2 3.24Å; P9-D23 WeakPolarHBondContact CD-OD2 2.97Å; P9-D23 WeakPolarHBondContact CG-OD2 3.35Å
10	K	50.2	Low	50.8	Low	119 Å²	119	84.3 Å²	84.3	52%	0.517	45%	0.45	S	S	.	.			trans	-63.5	112.1	174.1	-152.9	168.1	-179.5	170.3	0	108.3	F8 E76 F98 L99	F8-K10 PolarHBondContact O-N 3.42Å; K10-E76 VanDerWaalsContact CE-OE2 3.26Å; K10-E76 WeakPolarHBondContact CE-OE2 3.24Å; K10-E76 IonicContact NZ-OE2 3.27Å; K10-E76 PolarHBondContact NZ-OE2 3.15Å; K10-F98 HydrophobicContact CB-CB 4.15Å; K10-F98 HydrophobicContact CD-CB 4.41Å; K10-F98 HydrophobicContact CG-CB 4.16Å; K10-F98 HydrophobicContact CG-CG 4.33Å; K10-L99 PolarHBondContact N-O 2.89Å
11	S	47.2	Very low	50.1	Low	97 Å²	97	83.5 Å²	83.5	68%	0.678	44%	0.441	S	S	*	.			trans	-57	125.8	-177.4	-175.9	0	0	0	0	110.2	P9 A13	P9-S11 PolarHBondContact O-N 3.01Å; S11-A13 PolarHBondContact O-N 2.86Å
12	P	34.2	Very low	48.5	Very low	82 Å²	82	78.7 Å²	78.7	53%	0.532	42%	0.417	S	S	.	.			trans	-71.3	124.7	169.4	28.3	-29.3	0	0	0	107.4	A14	P12-A14 PolarHBondContact O-N 3.36Å
13	A	29.7	Very low	46.8	Very low	95 Å²	95	78 Å²	78	79%	0.785	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-37.6	117.1	175.2	0	0	0	0	0	111.7	S11 S15	S11-A13 PolarHBondContact O-N 2.86Å; A13-S15 PolarHBondContact O-N 2.6Å; A13-S15 VanDerWaalsContact O-N 3.17Å
14	A	28	Very low	44.9	Very low	105 Å²	105	78.2 Å²	78.2	87%	0.868	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	28.9	70.4	160.7	0	0	0	0	0	117	P12	P12-A14 PolarHBondContact O-N 3.36Å
15	S	27.1	Very low	43	Very low	112 Å²	112	77.7 Å²	77.7	78%	0.783	42%	0.417	S	S	*	.	S	Bend	trans	-166.1	-18.7	157.3	-150.9	0	0	0	0	117	A13	A13-S15 PolarHBondContact O-N 2.6Å; A13-S15 VanDerWaalsContact O-N 3.17Å
16	K	26.9	Very low	41.1	Very low	167 Å²	167	77.8 Å²	77.8	73%	0.726	42%	0.417	S	S	*	.			trans	-118.9	87.3	-176.3	-68.5	-171.5	-179.7	178.9	0	111.9	K18	K16-K18 PolarHBondContact O-N 3.12Å
17	R	31.7	Very low	39.1	Very low	248 Å²	248	78.4 Å²	78.4	94%	0.936	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	17	170.1	-72.1	-170.5	-169.5	-176.3	3.1	115.1
18	K	31.5	Very low	37.5	Very low	178 Å²	178	79.1 Å²	79.1	77%	0.774	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-6.1	-175.5	-88.7	-169.6	173.4	-174.3	0	115.4	K16	K16-K18 PolarHBondContact O-N 3.12Å
19	Y	31.1	Very low	35.9	Very low	167 Å²	167	80.2 Å²	80.2	66%	0.655	43%	0.43	S	S	*	.			trans	-144.7	71.6	178.8	-61.6	-81.3	0	0	0	110.4	R21	Y19-R21 VanDerWaalsContact C-N 3.29Å
20	C	31.7	Very low	34.7	Very low	96 Å²	96	82.4 Å²	82.4	65%	0.649	44%	0.443	S	S	*	.			trans	-99	53.8	158.5	-59.6	0	0	0	0	107.9
21	R	36.2	Very low	33.6	Very low	69 Å²	69	79.4 Å²	79.4	26%	0.26	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	138.8	169.3	-76.3	-174	177.2	163.9	-1	107.5	P9 Y19 P119 E152	P9-R21 WeakPolarHBondContact CD-O 3.03Å; P9-R21 WeakPolarHBondContact CG-O 3.36Å; Y19-R21 VanDerWaalsContact C-N 3.29Å; R21-P119 HydrophobicContact CG-CG 4.31Å; R21-E152 IonicContact CZ-OE1 3.99Å; R21-E152 VanDerWaalsContact CZ-OE1 3.27Å; R21-E152 IonicContact NH1-OE1 3.46Å; R21-E152 PolarHBondContact NH1-OE1 3.06Å; R21-E152 IonicContact NH2-OE1 3.01Å; R21-E152 PolarHBondContact NH2-OE1 2.55Å
22	A	38.8	Very low	32.6	Very low	1 Å²	1	77 Å²	77	1%	0.008	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	142.1	157.5	0	0	0	0	0	107.2	F8 V24 V118 L120	F8-A22 HydrophobicContact CD1-CB 3.42Å; F8-A22 VanDerWaalsContact CD1-CB 3.42Å; F8-A22 HydrophobicContact CE1-CB 3.44Å; F8-A22 VanDerWaalsContact CE1-CB 3.44Å; A22-V24 VanDerWaalsContact C-N 3.27Å; A22-V24 HydrophobicContact CB-CG2 4.35Å; A22-V24 PolarHBondContact O-N 3.03Å; A22-V24 VanDerWaalsContact O-N 3.11Å; A22-V118 CarbonylContact C-O 3.59Å; A22-V118 WeakPolarHBondContact CA-O 3.41Å; A22-V118 WeakPolarHBondContact CB-O 3.42Å; A22-V118 PolarHBondContact N-O 3.34Å; A22-V118 VanDerWaalsContact N-O 3.15Å; A22-V118 CarbonylContact O-C 3.6Å; A22-V118 PolarHBondContact O-N 3.33Å; A22-L120 HydrophobicContact CB-CB 3.38Å; A22-L120 HydrophobicContact CB-CD1 3.72Å; A22-L120 HydrophobicContact CB-CD2 4.45Å; A22-L120 HydrophobicContact CB-CG 3.98Å; A22-L120 VanDerWaalsContact N-N 3.14Å
23	D	44.1	Very low	32.3	Very low	28 Å²	28	77.4 Å²	77.4	15%	0.15	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-94.9	67.7	-177.5	-65.6	-24.9	0	0	0	109.6	C7 P9 L99 F117	C7-D23 CarbonylContact C-O 3.53Å; C7-D23 HydrophobicContact CB-CB 4.5Å; C7-D23 CarbonylContact O-C 3.25Å; C7-D23 WeakPolarHBondContact O-CA 3.05Å; C7-D23 WeakPolarHBondContact O-CB 3.18Å; C7-D23 PolarHBondContact O-N 2.88Å; P9-D23 WeakPolarHBondContact CA-OD2 3.33Å; P9-D23 VanDerWaalsContact CB-OD2 3.24Å; P9-D23 WeakPolarHBondContact CB-OD2 3.24Å; P9-D23 WeakPolarHBondContact CD-OD2 2.97Å; P9-D23 WeakPolarHBondContact CG-OD2 3.35Å; D23-L99 HydrophobicContact CB-CD2 3.82Å; D23-L99 WeakPolarHBondContact OD2-CD2 3.4Å; D23-F117 HydrophobicContact CB-CD1 3.88Å; D23-F117 HydrophobicContact CB-CE1 4.07Å
24	V	36.8	Very low	32.3	Very low	4 Å²	4	81.9 Å²	81.9	2%	0.024	44%	0.441	C	S	.	.			trans	-132.4	98.4	-174.8	171.2	0	0	0	0	110.3	I6 F8 A22 F44 V118	I6-V24 HydrophobicContact CG2-CG2 3.96Å; F8-V24 HydrophobicContact CD1-CG2 4.43Å; F8-V24 HydrophobicContact CE1-CG2 3.64Å; F8-V24 HydrophobicContact CZ-CG2 3.84Å; A22-V24 VanDerWaalsContact C-N 3.27Å; A22-V24 HydrophobicContact CB-CG2 4.35Å; A22-V24 PolarHBondContact O-N 3.03Å; A22-V24 VanDerWaalsContact O-N 3.11Å; V24-F44 HydrophobicContact CB-CE1 3.72Å; V24-F44 HydrophobicContact CB-CZ 4.36Å; V24-F44 HydrophobicContact CG1-CD1 3.75Å; V24-F44 HydrophobicContact CG1-CE1 2.94Å; V24-F44 HydrophobicContact CG1-CE2 4.39Å; V24-F44 HydrophobicContact CG1-CZ 3.31Å; V24-F44 HydrophobicContact CG2-CD1 4.42Å; V24-F44 HydrophobicContact CG2-CE1 3.48Å; V24-F44 VanDerWaalsContact CG2-CE1 3.48Å; V24-F44 HydrophobicContact CG2-CZ 4.21Å; V24-V118 WeakPolarHBondContact O-CG2 3.22Å
25	A	39.4	Very low	32.8	Very low	6 Å²	6	78.9 Å²	78.9	5%	0.05	41%	0.41	C	S	.	.			trans	-172.6	132.6	141.5	0	0	0	0	0	114.1	V42 F116 V118	A25-V42 HydrophobicContact CB-CG1 4.46Å; A25-F116 WeakPolarHBondContact CA-O 3.34Å; A25-F116 HydrophobicContact CB-CB 4.35Å; A25-F116 HydrophobicContact CB-CD1 3.41Å; A25-F116 VanDerWaalsContact CB-CD1 3.41Å; A25-F116 HydrophobicContact CB-CD2 3.19Å; A25-F116 HydrophobicContact CB-CE1 3.3Å; A25-F116 HydrophobicContact CB-CE2 3.09Å; A25-F116 HydrophobicContact CB-CG 3.36Å; A25-F116 HydrophobicContact CB-CZ 3.14Å; A25-F116 WeakPolarHBondContact CB-O 3.3Å; A25-F116 PolarHBondContact N-O 3.3Å; A25-F116 VanDerWaalsContact N-O 3.13Å; A25-F116 PolarHBondContact O-N 3.06Å; A25-V118 HydrophobicContact CB-CG2 4.42Å
26	T	36.3	Very low	33.4	Very low	6 Å²	6	84 Å²	84	4%	0.037	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.8	168.7	-38.7	0	0	0	0	107.7	V42 C43 F44 P45 V68 V112	T26-V42 WeakPolarHBondContact O-CA 3.21Å; T26-C43 CarbonylContact C-O 3.58Å; T26-C43 VanDerWaalsContact CA-O 3.24Å; T26-C43 WeakPolarHBondContact CA-O 2.99Å; T26-C43 WeakPolarHBondContact CB-O 3.47Å; T26-C43 PolarHBondContact N-O 2.83Å; T26-C43 PolarHBondContact O-N 3.42Å; T26-C43 PolarHBondContact OG1-O 3.38Å; T26-F44 WeakPolarHBondContact OG1-CA 3.42Å; T26-P45 HydrophobicContact CG2-CG 4.35Å; T26-P45 WeakPolarHBondContact OG1-CD 3.09Å; T26-P45 WeakPolarHBondContact OG1-CG 3.23Å; T26-V68 HydrophobicContact CG2-CG1 4.41Å; T26-V112 HydrophobicContact CG2-CG1 4.24Å; T26-V112 HydrophobicContact CG2-CG2 4.1Å
27	L	35.6	Very low	34.4	Very low	13 Å²	13	77.6 Å²	77.6	7%	0.068	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.2	171.1	-169.5	68	0	0	0	108.8	V42 K113 E114 F116 Y157	L27-V42 HydrophobicContact CD1-CG2 4.11Å; L27-K113 HydrophobicContact CB-CB 4.42Å; L27-K113 HydrophobicContact CD2-CB 3.82Å; L27-K113 HydrophobicContact CD2-CD 3.74Å; L27-K113 HydrophobicContact CD2-CG 3.94Å; L27-K113 HydrophobicContact CG-CB 4.04Å; L27-K113 HydrophobicContact CG-CD 4.47Å; L27-K113 PolarHBondContact O-N 3.34Å; L27-K113 VanDerWaalsContact O-N 3.11Å; L27-E114 WeakPolarHBondContact CA-O 3Å; L27-E114 HydrophobicContact CB-CB 3.79Å; L27-E114 WeakPolarHBondContact CB-O 3.32Å; L27-E114 HydrophobicContact CD2-CB 3.4Å; L27-E114 VanDerWaalsContact CD2-CB 3.4Å; L27-E114 HydrophobicContact CD2-CG 4.43Å; L27-E114 HydrophobicContact CG-CB 4.21Å; L27-E114 PolarHBondContact N-O 3.35Å; L27-F116 HydrophobicContact CB-CE1 4.43Å; L27-Y157 HydrophobicContact CD1-CD1 4.44Å
28	W	34.7	Very low	35.1	Very low	25 Å²	25	73 Å²	73	10%	0.095	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	130.2	176.1	-154.8	59.6	0	0	0	111.1	R37 G40 E41	W28-R37 HydrophobicContact CD2-CB 3.94Å; W28-R37 HydrophobicContact CD2-CG 4.48Å; W28-R37 HydrophobicContact CE3-CB 3.58Å; W28-R37 HydrophobicContact CH2-CB 3.52Å; W28-R37 HydrophobicContact CH2-CG 4.11Å; W28-R37 HydrophobicContact CZ2-CB 3.87Å; W28-R37 HydrophobicContact CZ2-CG 4Å; W28-R37 VanDerWaalsContact CZ3-C 3.49Å; W28-R37 HydrophobicContact CZ3-CB 3.41Å; W28-R37 VanDerWaalsContact CZ3-CB 3.41Å; W28-R37 HydrophobicContact CZ3-CG 4.42Å; W28-R37 WeakPolarHBondContact CZ3-O 3.31Å; W28-R37 VanDerWaalsContact NE1-NH1 3.14Å; W28-G40 PolarHBondContact O-N 2.8Å; W28-E41 WeakPolarHBondContact CB-O 3.32Å; W28-E41 PolarHBondContact N-O 3.48Å
29	T	31.8	Very low	35.8	Very low	30 Å²	30	69 Å²	69	18%	0.184	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-101.7	143.7	160.3	10.6	0	0	0	0	109.9	G31 E111 V112 K113	T29-G31 PolarHBondContact O-N 3.05Å; T29-E111 PolarHBondContact N-O 2.99Å; T29-V112 PolarHBondContact OG1-N 2.83Å; T29-K113 HydrophobicContact CG2-CB 3.32Å; T29-K113 HydrophobicContact CG2-CD 3.78Å; T29-K113 HydrophobicContact CG2-CG 3.53Å; T29-K113 VanDerWaalsContact OG1-CA 3.22Å; T29-K113 WeakPolarHBondContact OG1-CA 3.49Å; T29-K113 WeakPolarHBondContact OG1-CB 3.41Å; T29-K113 PolarHBondContact OG1-N 3Å
30	P	24.8	Very low	37.2	Very low	82 Å²	82	63.1 Å²	63.1	53%	0.532	36%	0.361	S	S	.	.	S	Bend	trans	-71.6	106.4	174.7	31.5	-32.7	0	0	0	108.9	P39	P30-P39 HydrophobicContact CB-CB 4.26Å; P30-P39 HydrophobicContact CB-CG 4.13Å; P30-P39 HydrophobicContact CG-CB 3.95Å; P30-P39 HydrophobicContact CG-CG 4.25Å
31	G	28.7	Very low	39.3	Very low	56 Å²	56	61.5 Å²	61.5	58%	0.577	34%	0.344	S	S	*	.			trans	-152.1	-62.5	-172.1	0	0	0	0	0	115.1	T29 D110	T29-G31 PolarHBondContact O-N 3.05Å; G31-D110 CarbonylContact C-O 3.51Å; G31-D110 VanDerWaalsContact CA-O 3.29Å; G31-D110 WeakPolarHBondContact CA-O 3.29Å
32	A	25.5	Very low	41.6	Very low	47 Å²	47	58.5 Å²	58.5	39%	0.388	33%	0.333	S	S	.	.	S	Bend	trans	-157.2	111.2	-176.8	0	0	0	0	0	111.8	D110 E111	A32-D110 PolarHBondContact N-O 3.26Å; A32-E111 HydrophobicContact CB-CG 4.46Å
33	C	27.1	Very low	43.9	Very low	91 Å²	91	58.7 Å²	58.7	62%	0.615	33%	0.334	S	S	*	.	S	Bend	trans	144.4	77.9	150.3	-79.9	0	0	0	0	112.6	L35	C33-L35 PolarHBondContact O-N 3.24Å
34	Q	30.9	Very low	46.1	Very low	188 Å²	188	57.4 Å²	57.4	88%	0.879	33%	0.327	S	S	*	.	S	Bend	trans	46.4	17.6	145.6	-62.7	-170.4	-0.2	0	0	120.5
35	L	38.3	Very low	48.5	Very low	42 Å²	42	58 Å²	58	22%	0.22	33%	0.331	C	S	.	.			trans	-116.8	131.4	160.1	-75.8	176.8	0	0	0	108.6	R2 C33 R37	R2-L35 VanDerWaalsContact CZ-CG 3.43Å; R2-L35 VanDerWaalsContact NH2-CD2 3.32Å; C33-L35 PolarHBondContact O-N 3.24Å; L35-R37 HydrophobicContact CB-CG 3.8Å; L35-R37 HydrophobicContact CD1-CG 4.26Å; L35-R37 PolarHBondContact O-N 2.85Å
36	K	39.7	Very low	50.9	Low	220 Å²	220	57.7 Å²	57.7	96%	0.957	33%	0.329	S	S	*	.			trans	-57.8	80.1	151.5	-69.8	177	174.7	-178.7	0	107.7
37	R	47.1	Very low	53.4	Low	33 Å²	33	57.6 Å²	57.6	13%	0.125	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-93.6	148.3	157.7	-50.4	175.2	176.3	154.2	-3	106.1	R4 W28 L35 G46	R4-R37 VanDerWaalsContact NH2-CZ 3.27Å; R4-R37 VanDerWaalsContact NH2-NH2 3.13Å; W28-R37 HydrophobicContact CD2-CB 3.94Å; W28-R37 HydrophobicContact CD2-CG 4.48Å; W28-R37 HydrophobicContact CE3-CB 3.58Å; W28-R37 HydrophobicContact CH2-CB 3.52Å; W28-R37 HydrophobicContact CH2-CG 4.11Å; W28-R37 HydrophobicContact CZ2-CB 3.87Å; W28-R37 HydrophobicContact CZ2-CG 4Å; W28-R37 VanDerWaalsContact CZ3-C 3.49Å; W28-R37 HydrophobicContact CZ3-CB 3.41Å; W28-R37 VanDerWaalsContact CZ3-CB 3.41Å; W28-R37 HydrophobicContact CZ3-CG 4.42Å; W28-R37 WeakPolarHBondContact CZ3-O 3.31Å; W28-R37 VanDerWaalsContact NE1-NH1 3.14Å; L35-R37 HydrophobicContact CB-CG 3.8Å; L35-R37 HydrophobicContact CD1-CG 4.26Å; L35-R37 PolarHBondContact O-N 2.85Å; R37-G46 PolarHBondContact NH2-O 3.28Å
38	E	46.8	Very low	56	Low	152 Å²	152	63 Å²	63	71%	0.71	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-69.9	131.2	178	-70.1	-77.9	138.9	0	0	107.9	G40 E41	E38-G40 PolarHBondContact O-N 2.78Å; E38-E41 WeakPolarHBondContact O-CB 3.17Å; E38-E41 PolarHBondContact O-N 3.42Å; E38-E41 VanDerWaalsContact O-N 3.17Å
39	P	47.2	Very low	58.8	Low	92 Å²	92	66 Å²	66	60%	0.597	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	124.4	172.9	-27.4	34.6	0	0	0	111.5	P30	P30-P39 HydrophobicContact CB-CB 4.26Å; P30-P39 HydrophobicContact CB-CG 4.13Å; P30-P39 HydrophobicContact CG-CB 3.95Å; P30-P39 HydrophobicContact CG-CG 4.25Å
40	G	60.7	Low	61.7	Low	44 Å²	44	67.8 Å²	67.8	45%	0.454	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	5.9	178.3	0	0	0	0	0	116.1	W28 E38	W28-G40 PolarHBondContact O-N 2.8Å; E38-G40 PolarHBondContact O-N 2.78Å
41	E	74.7	Confident	65.1	Low	63 Å²	63	70.1 Å²	70.1	29%	0.294	39%	0.387	S	S	.	.			trans	-67.6	132.4	173.9	-165.9	176.4	-171.8	0	0	111.8	W28 E38	W28-E41 WeakPolarHBondContact CB-O 3.32Å; W28-E41 PolarHBondContact N-O 3.48Å; E38-E41 WeakPolarHBondContact O-CB 3.17Å; E38-E41 PolarHBondContact O-N 3.42Å; E38-E41 VanDerWaalsContact O-N 3.17Å
42	V	85.4	Confident	68.3	Low	5 Å²	5	72.9 Å²	72.9	3%	0.03	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.6	174.4	180	0	0	0	0	109.8	A25 T26 L27 F116 L158 I159 T163	A25-V42 HydrophobicContact CB-CG1 4.46Å; T26-V42 WeakPolarHBondContact O-CA 3.21Å; L27-V42 HydrophobicContact CD1-CG2 4.11Å; V42-F116 HydrophobicContact CB-CZ 4.47Å; V42-F116 HydrophobicContact CG1-CE1 4.07Å; V42-F116 HydrophobicContact CG1-CZ 3.69Å; V42-F116 HydrophobicContact CG2-CE1 4.07Å; V42-F116 HydrophobicContact CG2-CZ 3.88Å; V42-L158 VanDerWaalsContact CG2-O 3.31Å; V42-L158 WeakPolarHBondContact CG2-O 3.5Å; V42-I159 HydrophobicContact CG1-CG1 4.23Å; V42-I159 HydrophobicContact CG1-CG2 4.37Å; V42-T163 HydrophobicContact CG1-CG2 4.43Å; V42-T163 WeakPolarHBondContact O-CB 3.4Å; V42-T163 PolarHBondContact O-OG1 2.71Å
43	C	86.8	Confident	71.7	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.034	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	172.6	-179.7	-68.5	0	0	0	0	110.9	R4 T26	R4-C43 PolarHBondContact NH2-SG 3.26Å; R4-C43 VanDerWaalsContact NH2-SG 3.36Å; T26-C43 CarbonylContact C-O 3.58Å; T26-C43 VanDerWaalsContact CA-O 3.24Å; T26-C43 WeakPolarHBondContact CA-O 2.99Å; T26-C43 WeakPolarHBondContact CB-O 3.47Å; T26-C43 PolarHBondContact N-O 2.83Å; T26-C43 PolarHBondContact O-N 3.42Å; T26-C43 PolarHBondContact OG1-O 3.38Å
44	F	89.3	Confident	75	Confident	1 Å²	1	72.4 Å²	72.4	0%	0.004	38%	0.381	C	S	.	.			trans	-87.5	159.8	158.2	-73	-76	0	0	0	110	R4 T5 I6 V24 T26 G46 T163 L166 A167	R4-F44 HydrophobicContact CB-CB 3.92Å; R4-F44 WeakPolarHBondContact CD-O 3.46Å; R4-F44 HydrophobicContact CG-CB 4.35Å; R4-F44 PolarHBondContact NH1-O 2.74Å; T5-F44 WeakPolarHBondContact O-CB 3.39Å; T5-F44 WeakPolarHBondContact O-CD1 3.28Å; I6-F44 HydrophobicContact CB-CD1 4.17Å; I6-F44 HydrophobicContact CB-CE1 3.87Å; I6-F44 HydrophobicContact CB-CZ 4.4Å; I6-F44 HydrophobicContact CD1-CD2 4.46Å; I6-F44 HydrophobicContact CD1-CE1 4.28Å; I6-F44 HydrophobicContact CD1-CE2 4.1Å; I6-F44 HydrophobicContact CD1-CZ 3.99Å; I6-F44 HydrophobicContact CG1-CD1 3.8Å; I6-F44 HydrophobicContact CG1-CD2 4.17Å; I6-F44 HydrophobicContact CG1-CE1 3.66Å; I6-F44 HydrophobicContact CG1-CE2 4.14Å; I6-F44 HydrophobicContact CG1-CG 4.01Å; I6-F44 HydrophobicContact CG1-CZ 3.88Å; I6-F44 HydrophobicContact CG2-CD1 4.21Å; I6-F44 HydrophobicContact CG2-CE1 3.43Å; I6-F44 VanDerWaalsContact CG2-CE1 3.43Å; I6-F44 HydrophobicContact CG2-CZ 3.83Å; V24-F44 HydrophobicContact CB-CE1 3.72Å; V24-F44 HydrophobicContact CB-CZ 4.36Å; V24-F44 HydrophobicContact CG1-CD1 3.75Å; V24-F44 HydrophobicContact CG1-CE1 2.94Å; V24-F44 HydrophobicContact CG1-CE2 4.39Å; V24-F44 HydrophobicContact CG1-CZ 3.31Å; V24-F44 HydrophobicContact CG2-CD1 4.42Å; V24-F44 HydrophobicContact CG2-CE1 3.48Å; V24-F44 VanDerWaalsContact CG2-CE1 3.48Å; V24-F44 HydrophobicContact CG2-CZ 4.21Å; T26-F44 WeakPolarHBondContact OG1-CA 3.42Å; F44-G46 PolarHBondContact O-N 2.81Å; F44-T163 HydrophobicContact CD2-CG2 3.87Å; F44-T163 HydrophobicContact CE2-CG2 3.75Å; F44-T163 HydrophobicContact CZ-CG2 4.47Å; F44-L166 HydrophobicContact CD2-CD1 4.45Å; F44-L166 HydrophobicContact CE2-CB 3.89Å; F44-L166 HydrophobicContact CE2-CD1 4.41Å; F44-A167 HydrophobicContact CZ-CB 4.31Å
45	P	88	Confident	78.1	Confident	17 Å²	17	66.7 Å²	66.7	11%	0.11	36%	0.357	C	S	.	.	S	Bend	trans	-61	144.9	174.5	-19.6	33.4	0	0	0	109.8	R4 T5 T26 A64 E67 V68	R4-P45 CarbonylContact C-O 3.21Å; R4-P45 VanDerWaalsContact CA-O 3.32Å; R4-P45 WeakPolarHBondContact CA-O 3.34Å; T5-P45 PolarHBondContact N-O 3.4Å; T5-P45 VanDerWaalsContact O-CD 3.24Å; T5-P45 WeakPolarHBondContact O-CD 3.28Å; T26-P45 HydrophobicContact CG2-CG 4.35Å; T26-P45 WeakPolarHBondContact OG1-CD 3.09Å; T26-P45 WeakPolarHBondContact OG1-CG 3.23Å; P45-A64 HydrophobicContact CB-CB 4.06Å; P45-E67 WeakPolarHBondContact CA-OE2 2.97Å; P45-E67 WeakPolarHBondContact CB-OE2 3.45Å; P45-V68 HydrophobicContact CG-CG2 4.36Å
46	G	89.6	Confident	80.8	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.351	C	S	.	.			trans	142.2	157.5	175.9	0	0	0	0	0	115.3	V3 R4 R37 F44 E67	V3-G46 CarbonylContact O-C 3.19Å; V3-G46 WeakPolarHBondContact O-CA 3.47Å; R4-G46 PolarHBondContact NH1-O 2.77Å; R37-G46 PolarHBondContact NH2-O 3.28Å; F44-G46 PolarHBondContact O-N 2.81Å; G46-E67 PolarHBondContact N-OE2 3.01Å
47	G	88.2	Confident	83.5	Confident	4 Å²	4	56.4 Å²	56.4	4%	0.041	31%	0.314	C	S	.	.			trans	-150.9	-143.6	-175.1	0	0	0	0	0	113.1	R2 V3 E63	R2-G47 WeakPolarHBondContact CA-O 3.41Å; R2-G47 VanDerWaalsContact CB-O 3.25Å; R2-G47 WeakPolarHBondContact CB-O 3.32Å; R2-G47 WeakPolarHBondContact CG-O 3.31Å; V3-G47 PolarHBondContact N-O 3.17Å; V3-G47 VanDerWaalsContact N-O 3.09Å; G47-E63 WeakPolarHBondContact CA-OE1 3.43Å; G47-E63 VanDerWaalsContact CA-OE2 3.22Å; G47-E63 WeakPolarHBondContact CA-OE2 3.18Å; G47-E63 PolarHBondContact N-OE2 3.3Å
48	K	91.8	Very high	85.9	Confident	125 Å²	125	56 Å²	56	54%	0.543	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-94.8	138.8	-172.6	-174.4	-175.1	172.6	-170.8	0	108	D50 R62 E63	K48-D50 PolarHBondContact O-N 2.97Å; K48-R62 PolarHBondContact O-NH2 3Å; K48-E63 PolarHBondContact N-OE1 2.87Å
49	R	92.4	Very high	88.2	Confident	88 Å²	88	48.8 Å²	48.8	33%	0.332	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-59.4	126.7	172	-176.5	165.3	179	-178.8	-0.3	111.2	M1 D53 T54 D56 T59	M1-R49 PolarHBondContact O-N 2.92Å; R49-D53 HydrophobicContact CG-CB 4.04Å; R49-D53 PolarHBondContact NE-O 3.45Å; R49-D53 PolarHBondContact NH2-O 3.49Å; R49-T54 VanDerWaalsContact NH2-C 3.33Å; R49-T54 PolarHBondContact NH2-O 3.41Å; R49-D56 IonicContact NH1-OD1 3.27Å; R49-T59 HydrophobicContact CB-CG2 4.1Å; R49-T59 WeakPolarHBondContact CG-OG1 3.41Å
50	D	93.5	Very high	90.3	Very high	69 Å²	69	44.4 Å²	44.4	37%	0.369	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-85.9	146.2	170.8	-167.8	-68.8	0	0	0	109.6	K48 V52 D53	K48-D50 PolarHBondContact O-N 2.97Å; D50-V52 HydrophobicContact CB-CG2 4.18Å; D50-V52 PolarHBondContact O-N 2.92Å; D50-V52 VanDerWaalsContact O-N 3.08Å; D50-V52 WeakPolarHBondContact OD1-CG2 3.43Å; D50-V52 PolarHBondContact OD1-N 3.48Å; D50-D53 WeakPolarHBondContact CB-OD2 3.43Å; D50-D53 PolarHBondContact N-OD2 3.25Å; D50-D53 WeakPolarHBondContact O-CB 3.5Å; D50-D53 PolarHBondContact O-N 3.38Å
51	P	95.5	Very high	92	Very high	131 Å²	131	43.7 Å²	43.7	85%	0.851	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48	-27.2	169.1	-30.7	35.5	0	0	0	116.1
52	V	96.2	Very high	93	Very high	114 Å²	114	43.1 Å²	43.1	69%	0.691	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.1	178.2	-53	0	0	0	0	113.6	D50 T54	D50-V52 HydrophobicContact CB-CG2 4.18Å; D50-V52 PolarHBondContact O-N 2.92Å; D50-V52 VanDerWaalsContact O-N 3.08Å; D50-V52 WeakPolarHBondContact OD1-CG2 3.43Å; D50-V52 PolarHBondContact OD1-N 3.48Å; V52-T54 PolarHBondContact O-N 3.06Å
53	D	96.5	Very high	93.3	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.064	24%	0.239	C	C	.	.			trans	-72.1	119.6	-178.4	-64.7	-37.1	0	0	0	110.2	R49 D50 D55 A58 T59 R62	R49-D53 HydrophobicContact CG-CB 4.04Å; R49-D53 PolarHBondContact NE-O 3.45Å; R49-D53 PolarHBondContact NH2-O 3.49Å; D50-D53 WeakPolarHBondContact CB-OD2 3.43Å; D50-D53 PolarHBondContact N-OD2 3.25Å; D50-D53 WeakPolarHBondContact O-CB 3.5Å; D50-D53 PolarHBondContact O-N 3.38Å; D53-D55 VanDerWaalsContact C-N 3.28Å; D53-D55 PolarHBondContact O-N 3.1Å; D53-A58 HydrophobicContact CB-CB 4.32Å; D53-T59 WeakPolarHBondContact CB-OG1 3.44Å; D53-T59 PolarHBondContact OD2-OG1 3.01Å; D53-R62 IonicContact OD1-CZ 2.8Å; D53-R62 IonicContact OD1-NE 2.78Å; D53-R62 PolarHBondContact OD1-NE 2.97Å; D53-R62 IonicContact OD2-CZ 3.59Å; D53-R62 IonicContact OD2-NE 3.27Å; D53-R62 PolarHBondContact OD2-NE 3.47Å; D53-R62 IonicContact OD2-NH2 2.83Å; D53-R62 PolarHBondContact OD2-NH2 3.42Å
54	T	96.8	Very high	93.5	Very high	115 Å²	115	43.6 Å²	43.6	71%	0.706	24%	0.237	S	C	*	.	S	Bend	trans	-63.2	-34.7	-177	53.2	0	0	0	0	112.6	R49 V52 A58	R49-T54 VanDerWaalsContact NH2-C 3.33Å; R49-T54 PolarHBondContact NH2-O 3.41Å; V52-T54 PolarHBondContact O-N 3.06Å; T54-A58 WeakPolarHBondContact OG1-CB 3.17Å
55	D	96.1	Very high	93.7	Very high	68 Å²	68	47.3 Å²	47.3	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-156.6	-175.7	178.8	57.2	47.8	0	0	0	111.4	D53 T57 A58 T59	D53-D55 VanDerWaalsContact C-N 3.28Å; D53-D55 PolarHBondContact O-N 3.1Å; D55-T57 VanDerWaalsContact C-N 3.29Å; D55-T57 PolarHBondContact O-N 3.24Å; D55-T57 VanDerWaalsContact OD1-CA 3.3Å; D55-T57 WeakPolarHBondContact OD1-CA 3.42Å; D55-T57 WeakPolarHBondContact OD1-CB 3.46Å; D55-T57 PolarHBondContact OD1-N 3.29Å; D55-A58 PolarHBondContact O-N 3.32Å; D55-A58 PolarHBondContact OD1-N 3.47Å; D55-T59 PolarHBondContact O-N 2.89Å; D55-T59 VanDerWaalsContact O-N 3.15Å; D55-T59 PolarHBondContact O-OG1 2.79Å
56	D	94.6	Very high	93.9	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.102	27%	0.269	C	S	.	.	H	α-helix	trans	-67.9	-28.5	179	-71.5	0.4	0	0	0	112.2	M1 V3 R49 T59 A60 T93	M1-D56 WeakPolarHBondContact CE-OD2 3.3Å; V3-D56 HydrophobicContact CG1-CB 3.76Å; V3-D56 WeakPolarHBondContact CG1-O 3.37Å; R49-D56 IonicContact NH1-OD1 3.27Å; D56-T59 PolarHBondContact O-N 3.32Å; D56-A60 WeakPolarHBondContact O-CB 3.36Å; D56-A60 PolarHBondContact O-N 3.37Å; D56-T93 HydrophobicContact CB-CG2 4.3Å; D56-T93 WeakPolarHBondContact OD2-CB 3.42Å; D56-T93 PolarHBondContact OD2-OG1 2.82Å
57	T	96.2	Very high	93.9	Very high	27 Å²	27	50.9 Å²	50.9	17%	0.166	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-45.6	174.4	-48.2	0	0	0	0	110.5	D55 T59 A60 L61 V77 H80 V95	D55-T57 VanDerWaalsContact C-N 3.29Å; D55-T57 PolarHBondContact O-N 3.24Å; D55-T57 VanDerWaalsContact OD1-CA 3.3Å; D55-T57 WeakPolarHBondContact OD1-CA 3.42Å; D55-T57 WeakPolarHBondContact OD1-CB 3.46Å; D55-T57 PolarHBondContact OD1-N 3.29Å; T57-T59 VanDerWaalsContact C-N 3.27Å; T57-T59 PolarHBondContact O-N 2.85Å; T57-A60 WeakPolarHBondContact O-CB 3.47Å; T57-A60 PolarHBondContact O-N 2.93Å; T57-L61 HydrophobicContact CG2-CD1 4.01Å; T57-L61 HydrophobicContact CG2-CG 4.27Å; T57-L61 VanDerWaalsContact O-CG 3.32Å; T57-L61 WeakPolarHBondContact O-CG 3.38Å; T57-L61 PolarHBondContact O-N 3.34Å; T57-V77 HydrophobicContact CG2-CB 4.18Å; T57-V77 HydrophobicContact CG2-CG1 3.97Å; T57-V77 HydrophobicContact CG2-CG2 3.79Å; T57-H80 PolarHBondContact OG1-CE1 3.04Å; T57-H80 VanDerWaalsContact OG1-CE1 3.24Å; T57-H80 PolarHBondContact OG1-NE2 3.27Å; T57-V95 HydrophobicContact CG2-CG1 4.38Å
58	A	96.8	Very high	94	Very high	25 Å²	25	51.1 Å²	51.1	21%	0.207	27%	0.271	C	S	.	.	H	α-helix	trans	-57.8	-43.5	176.3	0	0	0	0	0	111	D53 T54 D55 A60 L61 R62	D53-A58 HydrophobicContact CB-CB 4.32Å; T54-A58 WeakPolarHBondContact OG1-CB 3.17Å; D55-A58 PolarHBondContact O-N 3.32Å; D55-A58 PolarHBondContact OD1-N 3.47Å; A58-A60 VanDerWaalsContact C-N 3.34Å; A58-A60 PolarHBondContact O-N 3.15Å; A58-L61 PolarHBondContact O-N 3.42Å; A58-R62 WeakPolarHBondContact O-CB 2.99Å; A58-R62 PolarHBondContact O-N 3.11Å
59	T	95.7	Very high	94	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-46.4	173.9	-48.7	0	0	0	0	111.1	V3 R49 D53 D55 D56 T57 L61 R62 E63	V3-T59 HydrophobicContact CB-CG2 4.41Å; V3-T59 HydrophobicContact CG1-CG2 4.15Å; V3-T59 HydrophobicContact CG2-CG2 3.38Å; R49-T59 HydrophobicContact CB-CG2 4.1Å; R49-T59 WeakPolarHBondContact CG-OG1 3.41Å; D53-T59 WeakPolarHBondContact CB-OG1 3.44Å; D53-T59 PolarHBondContact OD2-OG1 3.01Å; D55-T59 PolarHBondContact O-N 2.89Å; D55-T59 VanDerWaalsContact O-N 3.15Å; D55-T59 PolarHBondContact O-OG1 2.79Å; D56-T59 PolarHBondContact O-N 3.32Å; T57-T59 VanDerWaalsContact C-N 3.27Å; T57-T59 PolarHBondContact O-N 2.85Å; T59-L61 PolarHBondContact O-N 3.17Å; T59-R62 PolarHBondContact O-N 2.99Å; T59-E63 HydrophobicContact CG2-CG 4.3Å; T59-E63 WeakPolarHBondContact O-CB 3.39Å; T59-E63 WeakPolarHBondContact O-CG 3.36Å; T59-E63 PolarHBondContact O-N 3.33Å
60	A	92.4	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-39.9	-174.6	0	0	0	0	0	111.7	V3 T5 D56 T57 A58 A64 V95	V3-A60 HydrophobicContact CB-CB 4.16Å; V3-A60 VanDerWaalsContact CG2-CA 3.49Å; V3-A60 HydrophobicContact CG2-CB 3.81Å; T5-A60 WeakPolarHBondContact OG1-CB 3.41Å; T5-A60 PolarHBondContact OG1-O 2.9Å; D56-A60 WeakPolarHBondContact O-CB 3.36Å; D56-A60 PolarHBondContact O-N 3.37Å; T57-A60 WeakPolarHBondContact O-CB 3.47Å; T57-A60 PolarHBondContact O-N 2.93Å; A58-A60 VanDerWaalsContact C-N 3.34Å; A58-A60 PolarHBondContact O-N 3.15Å; A60-A64 VanDerWaalsContact O-CB 3.23Å; A60-A64 WeakPolarHBondContact O-CB 3.39Å; A60-A64 PolarHBondContact O-N 3.23Å; A60-V95 HydrophobicContact CB-CB 3.81Å; A60-V95 HydrophobicContact CB-CG1 4.17Å; A60-V95 HydrophobicContact CB-CG2 3.63Å
61	L	94.5	Very high	93.9	Very high	29 Å²	29	42.5 Å²	42.5	15%	0.152	24%	0.238	C	C	.	.	H	α-helix	trans	-71	-42.3	177.4	-65.7	177.8	0	0	0	112.2	T57 A58 T59 A64 Q65 P72 V75 V77	T57-L61 HydrophobicContact CG2-CD1 4.01Å; T57-L61 HydrophobicContact CG2-CG 4.27Å; T57-L61 VanDerWaalsContact O-CG 3.32Å; T57-L61 WeakPolarHBondContact O-CG 3.38Å; T57-L61 PolarHBondContact O-N 3.34Å; A58-L61 PolarHBondContact O-N 3.42Å; T59-L61 PolarHBondContact O-N 3.17Å; L61-A64 PolarHBondContact O-N 3.13Å; L61-Q65 WeakPolarHBondContact O-CB 3.14Å; L61-Q65 PolarHBondContact O-N 3.16Å; L61-P72 HydrophobicContact CB-CG 4.49Å; L61-P72 HydrophobicContact CD1-CB 4.3Å; L61-V75 HydrophobicContact CD2-CG1 3.31Å; L61-V77 HydrophobicContact CD2-CG2 4.06Å
62	R	95.8	Very high	93.8	Very high	51 Å²	51	39.3 Å²	39.3	19%	0.192	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-53.5	176.2	177	-177.4	55.7	68.4	2.5	110.7	K48 D53 A58 T59 A64 Q65 E66	K48-R62 PolarHBondContact O-NH2 3Å; D53-R62 IonicContact OD1-CZ 2.8Å; D53-R62 IonicContact OD1-NE 2.78Å; D53-R62 PolarHBondContact OD1-NE 2.97Å; D53-R62 IonicContact OD2-CZ 3.59Å; D53-R62 IonicContact OD2-NE 3.27Å; D53-R62 PolarHBondContact OD2-NE 3.47Å; D53-R62 IonicContact OD2-NH2 2.83Å; D53-R62 PolarHBondContact OD2-NH2 3.42Å; A58-R62 WeakPolarHBondContact O-CB 2.99Å; A58-R62 PolarHBondContact O-N 3.11Å; T59-R62 PolarHBondContact O-N 2.99Å; R62-A64 VanDerWaalsContact C-N 3.35Å; R62-A64 PolarHBondContact O-N 3.34Å; R62-Q65 WeakPolarHBondContact O-CB 3.3Å; R62-Q65 PolarHBondContact O-N 2.87Å; R62-Q65 VanDerWaalsContact O-N 3.12Å; R62-E66 WeakPolarHBondContact CD-OE1 3.15Å; R62-E66 HydrophobicContact CG-CG 4.44Å; R62-E66 WeakPolarHBondContact CG-OE1 3.47Å; R62-E66 IonicContact NH1-OE1 3.6Å; R62-E66 PolarHBondContact NH1-OE1 2.86Å; R62-E66 IonicContact NH1-OE2 2.6Å; R62-E66 PolarHBondContact NH1-OE2 3.08Å; R62-E66 WeakPolarHBondContact O-CG 3.38Å; R62-E66 PolarHBondContact O-N 2.94Å
63	E	92.6	Very high	93.8	Very high	20 Å²	20	41.3 Å²	41.3	9%	0.093	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-39.5	-177.9	-63.9	-87	173.8	0	0	111.5	G47 K48 T59 Q65 E66 E67	G47-E63 WeakPolarHBondContact CA-OE1 3.43Å; G47-E63 VanDerWaalsContact CA-OE2 3.22Å; G47-E63 WeakPolarHBondContact CA-OE2 3.18Å; G47-E63 PolarHBondContact N-OE2 3.3Å; K48-E63 PolarHBondContact N-OE1 2.87Å; T59-E63 HydrophobicContact CG2-CG 4.3Å; T59-E63 WeakPolarHBondContact O-CB 3.39Å; T59-E63 WeakPolarHBondContact O-CG 3.36Å; T59-E63 PolarHBondContact O-N 3.33Å; E63-Q65 VanDerWaalsContact C-N 3.29Å; E63-Q65 PolarHBondContact O-N 3.44Å; E63-E66 PolarHBondContact O-N 2.83Å; E63-E67 VanDerWaalsContact O-CB 3.29Å; E63-E67 WeakPolarHBondContact O-CB 3.44Å; E63-E67 WeakPolarHBondContact O-CG 3.36Å; E63-E67 PolarHBondContact O-N 3.27Å
64	A	91.2	Very high	93.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.5	-33.4	175.1	0	0	0	0	0	112.5	T5 P45 A60 L61 R62 V68 G69 L70	T5-A64 HydrophobicContact CG2-CB 4.25Å; P45-A64 HydrophobicContact CB-CB 4.06Å; A60-A64 VanDerWaalsContact O-CB 3.23Å; A60-A64 WeakPolarHBondContact O-CB 3.39Å; A60-A64 PolarHBondContact O-N 3.23Å; L61-A64 PolarHBondContact O-N 3.13Å; R62-A64 VanDerWaalsContact C-N 3.35Å; R62-A64 PolarHBondContact O-N 3.34Å; A64-V68 WeakPolarHBondContact O-CG2 3.48Å; A64-V68 PolarHBondContact O-N 3.02Å; A64-V68 VanDerWaalsContact O-N 3.1Å; A64-G69 PolarHBondContact O-N 3.46Å; A64-L70 HydrophobicContact CB-CB 4.13Å; A64-L70 HydrophobicContact CB-CD2 4.1Å; A64-L70 PolarHBondContact O-N 2.83Å
65	Q	93.8	Very high	93.3	Very high	80 Å²	80	37.6 Å²	37.6	37%	0.374	20%	0.195	S	C	.	.	H	α-helix	trans	-68.1	-44.5	173	-168.3	-179.9	-35.7	0	0	111.5	L61 R62 E63 G69 L70 H71	L61-Q65 WeakPolarHBondContact O-CB 3.14Å; L61-Q65 PolarHBondContact O-N 3.16Å; R62-Q65 WeakPolarHBondContact O-CB 3.3Å; R62-Q65 PolarHBondContact O-N 2.87Å; R62-Q65 VanDerWaalsContact O-N 3.12Å; E63-Q65 VanDerWaalsContact C-N 3.29Å; E63-Q65 PolarHBondContact O-N 3.44Å; Q65-G69 WeakPolarHBondContact O-CA 3.37Å; Q65-G69 PolarHBondContact O-N 3.47Å; Q65-L70 WeakPolarHBondContact CA-O 3.29Å; Q65-L70 VanDerWaalsContact CB-O 3.31Å; Q65-L70 WeakPolarHBondContact CB-O 3.37Å; Q65-H71 PolarHBondContact NE2-CE1 3.49Å; Q65-H71 PolarHBondContact NE2-ND1 3.12Å
66	E	92	Very high	93.1	Very high	84 Å²	84	38.8 Å²	38.8	39%	0.393	20%	0.198	S	C	.	.	H	α-helix	trans	-64.6	-43.8	179.4	-72.6	166.5	178.5	0	0	112.3	R62 E63 N108	R62-E66 WeakPolarHBondContact CD-OE1 3.15Å; R62-E66 HydrophobicContact CG-CG 4.44Å; R62-E66 WeakPolarHBondContact CG-OE1 3.47Å; R62-E66 IonicContact NH1-OE1 3.6Å; R62-E66 PolarHBondContact NH1-OE1 2.86Å; R62-E66 IonicContact NH1-OE2 2.6Å; R62-E66 PolarHBondContact NH1-OE2 3.08Å; R62-E66 WeakPolarHBondContact O-CG 3.38Å; R62-E66 PolarHBondContact O-N 2.94Å; E63-E66 PolarHBondContact O-N 2.83Å; E66-N108 WeakPolarHBondContact O-CB 3.25Å; E66-N108 PolarHBondContact O-ND2 2.88Å
67	E	89.1	Confident	93.1	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-81.4	-40.3	-173.7	-76.2	-176	160.1	0	0	112.7	P45 G46 E63 P107 N108 E111 V112	P45-E67 WeakPolarHBondContact CA-OE2 2.97Å; P45-E67 WeakPolarHBondContact CB-OE2 3.45Å; G46-E67 PolarHBondContact N-OE2 3.01Å; E63-E67 VanDerWaalsContact O-CB 3.29Å; E63-E67 WeakPolarHBondContact O-CB 3.44Å; E63-E67 WeakPolarHBondContact O-CG 3.36Å; E63-E67 PolarHBondContact O-N 3.27Å; E67-P107 WeakPolarHBondContact O-CA 3.35Å; E67-N108 PolarHBondContact O-N 3.43Å; E67-E111 HydrophobicContact CG-CB 4.48Å; E67-E111 WeakPolarHBondContact CG-OE2 3.47Å; E67-V112 HydrophobicContact CB-CG2 3.63Å; E67-V112 HydrophobicContact CG-CG2 4.05Å; E67-V112 VanDerWaalsContact O-CG2 3.27Å; E67-V112 WeakPolarHBondContact O-CG2 3.35Å
68	V	89.7	Confident	92.9	Very high	8 Å²	8	42.3 Å²	42.3	5%	0.048	22%	0.22	C	C	.	.	H	α-helix	trans	-132.3	6	-171	-56.7	0	0	0	0	115.2	T26 P45 A64 L70 F103 Q106 V112 V115	T26-V68 HydrophobicContact CG2-CG1 4.41Å; P45-V68 HydrophobicContact CG-CG2 4.36Å; A64-V68 WeakPolarHBondContact O-CG2 3.48Å; A64-V68 PolarHBondContact O-N 3.02Å; A64-V68 VanDerWaalsContact O-N 3.1Å; V68-L70 VanDerWaalsContact C-N 3.32Å; V68-L70 HydrophobicContact CG2-CB 3.99Å; V68-L70 PolarHBondContact O-N 3.43Å; V68-F103 HydrophobicContact CG2-CZ 4.2Å; V68-Q106 CarbonylContact C-O 3.4Å; V68-Q106 VanDerWaalsContact C-O 3.25Å; V68-Q106 PolarHBondContact O-N 3.49Å; V68-V112 HydrophobicContact CG1-CG2 4.48Å; V68-V115 HydrophobicContact CB-CG2 4.33Å; V68-V115 HydrophobicContact CG1-CG2 3.59Å
69	G	92	Very high	92.7	Very high	17 Å²	17	43.8 Å²	43.8	18%	0.175	23%	0.229	C	C	.	.			trans	73.5	19.5	179.9	0	0	0	0	0	114.3	A64 Q65 H71	A64-G69 PolarHBondContact O-N 3.46Å; Q65-G69 WeakPolarHBondContact O-CA 3.37Å; Q65-G69 PolarHBondContact O-N 3.47Å; G69-H71 PolarHBondContact O-N 3.12Å
70	L	89.6	Confident	92.6	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	25%	0.249	C	C	.	.			trans	-77.5	103.3	179.5	179.3	57.2	0	0	0	111.5	A64 Q65 V68 Q74 V75 L99 F103	A64-L70 HydrophobicContact CB-CB 4.13Å; A64-L70 HydrophobicContact CB-CD2 4.1Å; A64-L70 PolarHBondContact O-N 2.83Å; Q65-L70 WeakPolarHBondContact CA-O 3.29Å; Q65-L70 VanDerWaalsContact CB-O 3.31Å; Q65-L70 WeakPolarHBondContact CB-O 3.37Å; V68-L70 VanDerWaalsContact C-N 3.32Å; V68-L70 HydrophobicContact CG2-CB 3.99Å; V68-L70 PolarHBondContact O-N 3.43Å; L70-Q74 HydrophobicContact CD1-CB 3.77Å; L70-V75 HydrophobicContact CD1-CB 4.35Å; L70-V75 HydrophobicContact CD2-CB 4.2Å; L70-V75 HydrophobicContact CD2-CG1 4.25Å; L70-V75 HydrophobicContact CG-CB 4.47Å; L70-V75 HydrophobicContact CG-CG1 4.27Å; L70-L99 HydrophobicContact CD1-CD1 3.39Å; L70-L99 HydrophobicContact CD2-CD1 3.88Å; L70-L99 HydrophobicContact CG-CD1 4.29Å; L70-F103 HydrophobicContact CB-CE2 3.84Å; L70-F103 HydrophobicContact CB-CZ 4.12Å; L70-F103 HydrophobicContact CD1-CD2 3.64Å; L70-F103 HydrophobicContact CD1-CE2 3.76Å; L70-F103 HydrophobicContact CD1-CG 4.19Å; L70-F103 HydrophobicContact CD1-CZ 4.34Å; L70-F103 HydrophobicContact CG-CE2 4.42Å
71	H	94.1	Very high	92.6	Very high	79 Å²	79	49 Å²	49	37%	0.366	25%	0.254	S	S	.	.			trans	-75.8	148.6	176.9	-71.1	-75	0	0	0	112.4	Q65 G69 H73 Q74	Q65-H71 PolarHBondContact NE2-CE1 3.49Å; Q65-H71 PolarHBondContact NE2-ND1 3.12Å; G69-H71 PolarHBondContact O-N 3.12Å; H71-H73 WeakPolarHBondContact CB-CE1 3.32Å; H71-H73 WeakPolarHBondContact CB-ND1 3.37Å; H71-H73 AromaticContact CG-CE1 3.89Å; H71-H73 PolarHBondContact O-N 3.28Å; H71-Q74 HydrophobicContact CB-CG 4.31Å; H71-Q74 WeakPolarHBondContact O-CB 3.27Å; H71-Q74 PolarHBondContact O-N 2.96Å
72	P	94.3	Very high	92.5	Very high	65 Å²	65	49 Å²	49	42%	0.422	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-54	-30.7	-179.5	-30.8	35.7	0	0	0	115.8	L61 Q74 V75	L61-P72 HydrophobicContact CB-CG 4.49Å; L61-P72 HydrophobicContact CD1-CB 4.3Å; P72-Q74 VanDerWaalsContact C-N 3.25Å; P72-Q74 PolarHBondContact O-N 2.77Å; P72-V75 PolarHBondContact O-N 3.06Å
73	H	95.3	Very high	92.2	Very high	155 Å²	155	48.3 Å²	48.3	72%	0.718	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-76.7	-11.6	178.8	67.8	-87.7	0	0	0	113.6	H71	H71-H73 WeakPolarHBondContact CB-CE1 3.32Å; H71-H73 WeakPolarHBondContact CB-ND1 3.37Å; H71-H73 AromaticContact CG-CE1 3.89Å; H71-H73 PolarHBondContact O-N 3.28Å
74	Q	92.1	Very high	91.9	Very high	35 Å²	35	49.4 Å²	49.4	16%	0.164	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-96.3	4.4	178.5	-57.8	176.8	-69.8	0	0	112	L70 H71 P72 D100	L70-Q74 HydrophobicContact CD1-CB 3.77Å; H71-Q74 HydrophobicContact CB-CG 4.31Å; H71-Q74 WeakPolarHBondContact O-CB 3.27Å; H71-Q74 PolarHBondContact O-N 2.96Å; P72-Q74 VanDerWaalsContact C-N 3.25Å; P72-Q74 PolarHBondContact O-N 2.77Å; Q74-D100 HydrophobicContact CB-CB 4.22Å; Q74-D100 PolarHBondContact O-N 2.86Å
75	V	90.7	Very high	91.7	Very high	15 Å²	15	49.6 Å²	49.6	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	128	177.8	57.8	0	0	0	0	110.9	L61 L70 P72 F98	L61-V75 HydrophobicContact CD2-CG1 3.31Å; L70-V75 HydrophobicContact CD1-CB 4.35Å; L70-V75 HydrophobicContact CD2-CB 4.2Å; L70-V75 HydrophobicContact CD2-CG1 4.25Å; L70-V75 HydrophobicContact CG-CB 4.47Å; L70-V75 HydrophobicContact CG-CG1 4.27Å; P72-V75 PolarHBondContact O-N 3.06Å; V75-F98 CarbonylContact C-O 3.54Å; V75-F98 VanDerWaalsContact CA-O 3.28Å; V75-F98 WeakPolarHBondContact CA-O 3.46Å
76	E	92.7	Very high	90.9	Very high	93 Å²	93	49.5 Å²	49.5	44%	0.435	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	103.9	169.8	179.6	-177.1	-175.2	0	0	108.5	K10 V78 G97 F98	K10-E76 VanDerWaalsContact CE-OE2 3.26Å; K10-E76 WeakPolarHBondContact CE-OE2 3.24Å; K10-E76 IonicContact NZ-OE2 3.27Å; K10-E76 PolarHBondContact NZ-OE2 3.15Å; E76-V78 HydrophobicContact CG-CG1 4.27Å; E76-V78 PolarHBondContact O-N 2.8Å; E76-G97 CarbonylContact O-C 3.55Å; E76-G97 WeakPolarHBondContact O-CA 3.4Å; E76-F98 HydrophobicContact CB-CB 4.43Å; E76-F98 PolarHBondContact N-O 3.47Å; E76-F98 PolarHBondContact O-N 3.42Å
77	V	93.5	Very high	89.9	Confident	49 Å²	49	50.6 Å²	50.6	30%	0.297	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	126.8	175.4	177.7	0	0	0	0	109.3	T57 L61 V95	T57-V77 HydrophobicContact CG2-CB 4.18Å; T57-V77 HydrophobicContact CG2-CG1 3.97Å; T57-V77 HydrophobicContact CG2-CG2 3.79Å; L61-V77 HydrophobicContact CD2-CG2 4.06Å; V77-V95 HydrophobicContact CB-CG1 4.49Å; V77-V95 HydrophobicContact CG1-CG1 3.52Å; V77-V95 HydrophobicContact CG2-CG1 4.14Å
78	V	92.9	Very high	89.1	Confident	71 Å²	71	54.4 Å²	54.4	43%	0.43	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-24.9	-174.4	-65.2	0	0	0	0	114	E76 V96 F98	E76-V78 HydrophobicContact CG-CG1 4.27Å; E76-V78 PolarHBondContact O-N 2.8Å; V78-V96 HydrophobicContact CG2-CB 4.36Å; V78-V96 HydrophobicContact CG2-CG1 3.99Å; V78-V96 WeakPolarHBondContact CG2-O 3.35Å; V78-V96 PolarHBondContact N-O 3.39Å; V78-F98 HydrophobicContact CG1-CD2 3.49Å; V78-F98 VanDerWaalsContact CG1-CD2 3.49Å; V78-F98 HydrophobicContact CG1-CE2 3.65Å; V78-F98 HydrophobicContact CG2-CE2 4.39Å
79	S	92.4	Very high	88.5	Confident	56 Å²	56	56.7 Å²	56.7	39%	0.392	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	158.7	-176.6	-168.9	0	0	0	0	112.8	V96	S79-V96 PolarHBondContact N-O 2.98Å; S79-V96 PolarHBondContact O-N 3.47Å
80	H	93.8	Very high	88.1	Confident	92 Å²	92	56.7 Å²	56.7	43%	0.426	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132	159.9	-57.9	154.6	0	0	0	108.1	T57 T93 P94	T57-H80 PolarHBondContact OG1-CE1 3.04Å; T57-H80 VanDerWaalsContact OG1-CE1 3.24Å; T57-H80 PolarHBondContact OG1-NE2 3.27Å; H80-T93 HydrophobicContact CB-CG2 4.35Å; H80-P94 WeakPolarHBondContact CA-O 3.45Å
81	L	92.5	Very high	88.1	Confident	18 Å²	18	57.7 Å²	57.7	9%	0.094	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-84.5	166.9	173.9	-54.4	179.5	0	0	0	110.6	I6 P94 V96 L166 L169 V170 I173	I6-L81 HydrophobicContact CD1-CD1 4.26Å; L81-P94 HydrophobicContact CB-CB 4Å; L81-P94 HydrophobicContact CB-CG 4Å; L81-P94 HydrophobicContact CD1-CB 4.11Å; L81-P94 HydrophobicContact CG-CB 4.25Å; L81-P94 PolarHBondContact N-O 3.04Å; L81-V96 HydrophobicContact CD1-CG2 3.82Å; L81-V96 HydrophobicContact CD2-CG2 4.02Å; L81-V96 HydrophobicContact CG-CG2 3.69Å; L81-L166 HydrophobicContact CD1-CD2 4.45Å; L81-L169 HydrophobicContact CD1-CD2 4.19Å; L81-V170 HydrophobicContact CD1-CG2 3.53Å; L81-I173 HydrophobicContact CD2-CD1 4.22Å
82	V	91.6	Very high	87.9	Confident	28 Å²	28	54.2 Å²	54.2	17%	0.17	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-52.4	126.9	172.3	-177	0	0	0	0	109.3	I191 C194 E195 F198	V82-I191 HydrophobicContact CG2-CG2 4.4Å; V82-C194 HydrophobicContact CB-CB 4.11Å; V82-C194 HydrophobicContact CG1-CB 4.42Å; V82-C194 HydrophobicContact CG2-CB 3.89Å; V82-E195 HydrophobicContact CG1-CG 4.34Å; V82-E195 HydrophobicContact CG2-CG 3.77Å; V82-F198 HydrophobicContact CG1-CB 3.54Å; V82-F198 HydrophobicContact CG1-CD1 4.24Å; V82-F198 HydrophobicContact CG1-CG 3.94Å
83	P	91.2	Very high	87.9	Confident	36 Å²	36	51.4 Å²	51.4	23%	0.234	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-58.8	152.4	179.3	-26.8	35.5	0	0	0	113.2	L91 V92 F198	P83-L91 HydrophobicContact CB-CD1 3.59Å; P83-L91 HydrophobicContact CB-CG 4.12Å; P83-V92 CarbonylContact C-O 3.5Å; P83-V92 VanDerWaalsContact CA-O 3.26Å; P83-V92 WeakPolarHBondContact CA-O 3.01Å; P83-F198 HydrophobicContact CB-CD2 4.24Å; P83-F198 HydrophobicContact CB-CE2 3.96Å; P83-F198 HydrophobicContact CB-CZ 4.43Å; P83-F198 WeakPolarHBondContact O-CD2 3.31Å
84	Y	86	Confident	87.7	Confident	43 Å²	43	44 Å²	44	17%	0.169	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.8	174.7	-167.7	-90.8	0	0	0	110.4	F86 V92 M162 K165	Y84-F86 HydrophobicContact CD1-CD2 4.05Å; Y84-F86 AromaticContact CE1-CD2 3.96Å; Y84-F86 HydrophobicContact CE1-CD2 3.96Å; Y84-V92 PolarHBondContact N-O 3.15Å; Y84-V92 PolarHBondContact O-N 2.79Å; Y84-M162 HydrophobicContact CD1-CB 4.46Å; Y84-M162 HydrophobicContact CD1-CG 3.79Å; Y84-M162 HydrophobicContact CD1-SD 3.6Å; Y84-M162 VanDerWaalsContact CD1-SD 3.6Å; Y84-M162 HydrophobicContact CD2-CG 4.28Å; Y84-M162 HydrophobicContact CE1-CB 4.34Å; Y84-M162 HydrophobicContact CE1-CG 4.13Å; Y84-M162 HydrophobicContact CE1-SD 4.33Å; Y84-M162 HydrophobicContact CG-CG 3.87Å; Y84-M162 HydrophobicContact CG-SD 3.9Å; Y84-K165 HydrophobicContact CE2-CD 4.34Å
85	V	85.8	Confident	87.8	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.4	172.3	-179.6	0	0	0	0	108.9	L91 F198 R201 Y202 L207	V85-L91 HydrophobicContact CG2-CD1 3.93Å; V85-F198 HydrophobicContact CG2-CD2 3.88Å; V85-F198 HydrophobicContact CG2-CE2 3.67Å; V85-R201 HydrophobicContact CB-CB 3.85Å; V85-R201 HydrophobicContact CG1-CB 4.41Å; V85-R201 HydrophobicContact CG2-CB 4.33Å; V85-Y202 HydrophobicContact CG2-CD2 4.13Å; V85-L207 HydrophobicContact CG1-CD1 4.31Å
86	F	77.8	Confident	87.8	Confident	77 Å²	77	42.2 Å²	42.2	34%	0.338	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	157	177.4	-139.1	-95.5	0	0	0	110.9	Y84 N88 D89 A90 M162	Y84-F86 HydrophobicContact CD1-CD2 4.05Å; Y84-F86 AromaticContact CE1-CD2 3.96Å; Y84-F86 HydrophobicContact CE1-CD2 3.96Å; F86-N88 WeakPolarHBondContact CB-OD1 3.4Å; F86-N88 PolarHBondContact O-N 3.05Å; F86-D89 PolarHBondContact O-N 2.86Å; F86-A90 HydrophobicContact CB-CB 4.07Å; F86-A90 WeakPolarHBondContact CB-O 3.46Å; F86-A90 PolarHBondContact N-O 2.79Å; F86-M162 HydrophobicContact CD2-SD 4.07Å; F86-M162 HydrophobicContact CE2-CB 4.08Å; F86-M162 HydrophobicContact CE2-SD 4.16Å
87	D	70.5	Confident	87.6	Confident	108 Å²	108	37.9 Å²	37.9	58%	0.578	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.3	-173.3	-61.1	-17.4	0	0	0	114.4	D89 Q136 R201	D87-D89 VanDerWaalsContact C-N 3.31Å; D87-Q136 PolarHBondContact OD1-NE2 2.8Å; D87-Q136 PolarHBondContact OD1-OE1 2.87Å; D87-Q136 PolarHBondContact OD2-NE2 3.25Å; D87-R201 IonicContact OD1-NH1 3.52Å
88	N	71.6	Confident	87.3	Confident	88 Å²	88	38.8 Å²	38.8	47%	0.471	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	27.4	176	66.2	-10.3	0	0	0	113	F86 A90	F86-N88 WeakPolarHBondContact CB-OD1 3.4Å; F86-N88 PolarHBondContact O-N 3.05Å; N88-A90 PolarHBondContact O-N 2.86Å; N88-A90 WeakPolarHBondContact OD1-CB 3.2Å; N88-A90 PolarHBondContact OD1-N 2.95Å
89	D	78.1	Confident	86.9	Confident	56 Å²	56	35.8 Å²	35.8	30%	0.299	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	30.7	-176.2	-62.2	-50.6	0	0	0	112.4	F86 D87 S205 K206 L207	F86-D89 PolarHBondContact O-N 2.86Å; D87-D89 VanDerWaalsContact C-N 3.31Å; D89-S205 WeakPolarHBondContact OD1-CA 3.48Å; D89-S205 VanDerWaalsContact OD1-CB 3.23Å; D89-S205 WeakPolarHBondContact OD1-CB 3.43Å; D89-K206 PolarHBondContact OD1-N 2.91Å; D89-L207 HydrophobicContact CB-CG 4.28Å; D89-L207 WeakPolarHBondContact O-CD1 2.9Å; D89-L207 WeakPolarHBondContact O-CD2 3.42Å; D89-L207 VanDerWaalsContact O-CG 3.3Å; D89-L207 WeakPolarHBondContact O-CG 3.45Å
90	A	83.5	Confident	86.5	Confident	16 Å²	16	36 Å²	36	13%	0.132	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.6	174.4	0	0	0	0	0	111.1	F86 N88	F86-A90 HydrophobicContact CB-CB 4.07Å; F86-A90 WeakPolarHBondContact CB-O 3.46Å; F86-A90 PolarHBondContact N-O 2.79Å; N88-A90 PolarHBondContact O-N 2.86Å; N88-A90 WeakPolarHBondContact OD1-CB 3.2Å; N88-A90 PolarHBondContact OD1-N 2.95Å
91	L	90	Very high	85.9	Confident	27 Å²	27	38.6 Å²	38.6	14%	0.141	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.4	169.3	-169.2	68.3	0	0	0	110.4	M1 R2 P83 V85 F198 L207	M1-L91 CarbonylContact C-O 3.53Å; M1-L91 WeakPolarHBondContact CA-O 3.34Å; M1-L91 HydrophobicContact CE-CD2 3.79Å; M1-L91 HydrophobicContact CG-CD2 4.32Å; R2-L91 PolarHBondContact N-O 3.14Å; P83-L91 HydrophobicContact CB-CD1 3.59Å; P83-L91 HydrophobicContact CB-CG 4.12Å; V85-L91 HydrophobicContact CG2-CD1 3.93Å; L91-F198 HydrophobicContact CD1-CE2 3.55Å; L91-F198 HydrophobicContact CD1-CZ 4.2Å; L91-L207 HydrophobicContact CB-CD1 4.01Å
92	V	90.1	Very high	85.6	Confident	6 Å²	6	42.7 Å²	42.7	4%	0.036	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.5	176.9	-177.9	0	0	0	0	109.9	R2 R4 P83 Y84 P94 M162	R2-V92 HydrophobicContact CB-CG2 4.2Å; R2-V92 CarbonylContact O-C 3.56Å; R2-V92 VanDerWaalsContact O-CA 3.27Å; R2-V92 WeakPolarHBondContact O-CA 3.45Å; R4-V92 HydrophobicContact CB-CG1 4.32Å; R4-V92 HydrophobicContact CG-CG1 3.64Å; P83-V92 CarbonylContact C-O 3.5Å; P83-V92 VanDerWaalsContact CA-O 3.26Å; P83-V92 WeakPolarHBondContact CA-O 3.01Å; Y84-V92 PolarHBondContact N-O 3.15Å; Y84-V92 PolarHBondContact O-N 2.79Å; V92-P94 WeakPolarHBondContact O-CD 3.24Å; V92-M162 HydrophobicContact CB-SD 4.12Å; V92-M162 HydrophobicContact CG1-CE 4.02Å; V92-M162 HydrophobicContact CG1-SD 4.09Å; V92-M162 HydrophobicContact CG2-SD 4.12Å
93	T	93.1	Very high	85.3	Confident	6 Å²	6	42.6 Å²	42.6	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.9	173.6	-52.5	0	0	0	0	110.1	R2 V3 R4 D56 H80	R2-T93 PolarHBondContact O-N 2.95Å; V3-T93 VanDerWaalsContact CA-O 3.22Å; V3-T93 WeakPolarHBondContact CA-O 3.11Å; R4-T93 PolarHBondContact N-O 2.91Å; D56-T93 HydrophobicContact CB-CG2 4.3Å; D56-T93 WeakPolarHBondContact OD2-CB 3.42Å; D56-T93 PolarHBondContact OD2-OG1 2.82Å; H80-T93 HydrophobicContact CB-CG2 4.35Å
94	P	92.3	Very high	85.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126.4	174.2	-9.6	27.1	0	0	0	110.5	R4 I6 H80 L81 V92 L166	R4-P94 CarbonylContact O-C 3.6Å; R4-P94 WeakPolarHBondContact O-CA 3.24Å; I6-P94 HydrophobicContact CD1-CB 3.93Å; H80-P94 WeakPolarHBondContact CA-O 3.45Å; L81-P94 HydrophobicContact CB-CB 4Å; L81-P94 HydrophobicContact CB-CG 4Å; L81-P94 HydrophobicContact CD1-CB 4.11Å; L81-P94 HydrophobicContact CG-CB 4.25Å; L81-P94 PolarHBondContact N-O 3.04Å; V92-P94 WeakPolarHBondContact O-CD 3.24Å; P94-L166 HydrophobicContact CB-CD1 4.2Å; P94-L166 HydrophobicContact CB-CD2 4.07Å; P94-L166 HydrophobicContact CG-CD1 3.96Å; P94-L166 HydrophobicContact CG-CD2 3.5Å; P94-L166 HydrophobicContact CG-CG 4.4Å
95	V	93.3	Very high	85.2	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.1	176.6	-179.2	0	0	0	0	108	R4 T5 I6 T57 A60 V77	R4-V95 PolarHBondContact O-N 2.83Å; T5-V95 CarbonylContact C-O 3.57Å; T5-V95 WeakPolarHBondContact CA-O 3.26Å; I6-V95 PolarHBondContact N-O 2.77Å; T57-V95 HydrophobicContact CG2-CG1 4.38Å; A60-V95 HydrophobicContact CB-CB 3.81Å; A60-V95 HydrophobicContact CB-CG1 4.17Å; A60-V95 HydrophobicContact CB-CG2 3.63Å; V77-V95 HydrophobicContact CB-CG1 4.49Å; V77-V95 HydrophobicContact CG1-CG1 3.52Å; V77-V95 HydrophobicContact CG2-CG1 4.14Å
96	V	91.3	Very high	85.4	Confident	10 Å²	10	54.6 Å²	54.6	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.8	-176.9	-178.9	0	0	0	0	109.6	I6 F8 V78 S79 L81 V170	I6-V96 HydrophobicContact CB-CG2 4.26Å; I6-V96 HydrophobicContact CD1-CG2 4.43Å; I6-V96 CarbonylContact O-C 3.51Å; I6-V96 WeakPolarHBondContact O-CA 3.49Å; F8-V96 HydrophobicContact CD2-CG1 4.14Å; F8-V96 HydrophobicContact CE2-CG1 3.93Å; V78-V96 HydrophobicContact CG2-CB 4.36Å; V78-V96 HydrophobicContact CG2-CG1 3.99Å; V78-V96 WeakPolarHBondContact CG2-O 3.35Å; V78-V96 PolarHBondContact N-O 3.39Å; S79-V96 PolarHBondContact N-O 2.98Å; S79-V96 PolarHBondContact O-N 3.47Å; L81-V96 HydrophobicContact CD1-CG2 3.82Å; L81-V96 HydrophobicContact CD2-CG2 4.02Å; L81-V96 HydrophobicContact CG-CG2 3.69Å; V96-V170 HydrophobicContact CG2-CG2 4.23Å
97	G	89.2	Confident	85.9	Confident	2 Å²	2	53.9 Å²	53.9	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.7	177.7	0	0	0	0	0	114.4	I6 C7 F8 E76	I6-G97 PolarHBondContact O-N 3.13Å; C7-G97 CarbonylContact C-O 3.43Å; C7-G97 VanDerWaalsContact CA-O 3.31Å; C7-G97 WeakPolarHBondContact CA-O 3.11Å; F8-G97 PolarHBondContact N-O 2.81Å; E76-G97 CarbonylContact O-C 3.55Å; E76-G97 WeakPolarHBondContact O-CA 3.4Å
98	F	85.5	Confident	86.6	Confident	68 Å²	68	51.1 Å²	51.1	30%	0.298	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.7	170	-68.4	-60.8	0	0	0	110.8	F8 K10 V75 E76 V78	F8-F98 HydrophobicContact CB-CD1 4.34Å; F8-F98 CarbonylContact O-C 3.51Å; F8-F98 WeakPolarHBondContact O-CA 3.43Å; K10-F98 HydrophobicContact CB-CB 4.15Å; K10-F98 HydrophobicContact CD-CB 4.41Å; K10-F98 HydrophobicContact CG-CB 4.16Å; K10-F98 HydrophobicContact CG-CG 4.33Å; V75-F98 CarbonylContact C-O 3.54Å; V75-F98 VanDerWaalsContact CA-O 3.28Å; V75-F98 WeakPolarHBondContact CA-O 3.46Å; E76-F98 HydrophobicContact CB-CB 4.43Å; E76-F98 PolarHBondContact N-O 3.47Å; E76-F98 PolarHBondContact O-N 3.42Å; V78-F98 HydrophobicContact CG1-CD2 3.49Å; V78-F98 VanDerWaalsContact CG1-CD2 3.49Å; V78-F98 HydrophobicContact CG1-CE2 3.65Å; V78-F98 HydrophobicContact CG2-CE2 4.39Å
99	L	85.7	Confident	87.3	Confident	8 Å²	8	51 Å²	51	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	140.3	178.2	-159.4	62.6	0	0	0	110.7	C7 F8 K10 D23 L70 F103	C7-L99 HydrophobicContact CB-CB 4.22Å; C7-L99 HydrophobicContact CB-CD1 4.24Å; C7-L99 HydrophobicContact CB-CD2 4.46Å; F8-L99 PolarHBondContact O-N 2.48Å; K10-L99 PolarHBondContact N-O 2.89Å; D23-L99 HydrophobicContact CB-CD2 3.82Å; D23-L99 WeakPolarHBondContact OD2-CD2 3.4Å; L70-L99 HydrophobicContact CD1-CD1 3.39Å; L70-L99 HydrophobicContact CD2-CD1 3.88Å; L70-L99 HydrophobicContact CG-CD1 4.29Å; L99-F103 HydrophobicContact CD1-CB 4.12Å; L99-F103 HydrophobicContact CD1-CD1 3.94Å; L99-F103 HydrophobicContact CD1-CE1 4.46Å; L99-F103 HydrophobicContact CD1-CG 3.93Å; L99-F103 HydrophobicContact CD2-CB 4.28Å; L99-F103 HydrophobicContact CD2-CD1 3.54Å; L99-F103 HydrophobicContact CD2-CE1 4.2Å; L99-F103 HydrophobicContact CD2-CG 4.19Å; L99-F103 HydrophobicContact CG-CB 3.93Å; L99-F103 HydrophobicContact CG-CD1 3.98Å; L99-F103 HydrophobicContact CG-CG 4.12Å
100	D	83.6	Confident	87.7	Confident	60 Å²	60	53.8 Å²	53.8	32%	0.321	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-66.2	136.4	168.9	-175.2	-105.5	0	0	0	110.5	Q74 N102 F103	Q74-D100 HydrophobicContact CB-CB 4.22Å; Q74-D100 PolarHBondContact O-N 2.86Å; D100-N102 PolarHBondContact O-N 3.36Å; D100-N102 VanDerWaalsContact O-N 3.12Å; D100-N102 WeakPolarHBondContact OD1-CA 3.4Å; D100-N102 VanDerWaalsContact OD1-CB 3.24Å; D100-N102 WeakPolarHBondContact OD1-CB 3.44Å; D100-N102 PolarHBondContact OD1-N 3.34Å; D100-N102 PolarHBondContact OD1-ND2 3.26Å; D100-N102 VanDerWaalsContact OD1-ND2 3.14Å; D100-F103 VanDerWaalsContact O-CB 3.28Å; D100-F103 WeakPolarHBondContact O-CB 3.37Å; D100-F103 PolarHBondContact O-N 3.09Å
101	H	82	Confident	87.5	Confident	147 Å²	147	54.5 Å²	54.5	68%	0.681	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.8	-179.4	67.3	-68.2	0	0	0	115.1
102	N	85.9	Confident	87.1	Confident	104 Å²	104	53.4 Å²	53.4	56%	0.556	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	1.6	176.3	-53.5	-64.1	0	0	0	113	D100 Q104	D100-N102 PolarHBondContact O-N 3.36Å; D100-N102 VanDerWaalsContact O-N 3.12Å; D100-N102 WeakPolarHBondContact OD1-CA 3.4Å; D100-N102 VanDerWaalsContact OD1-CB 3.24Å; D100-N102 WeakPolarHBondContact OD1-CB 3.44Å; D100-N102 PolarHBondContact OD1-N 3.34Å; D100-N102 PolarHBondContact OD1-ND2 3.26Å; D100-N102 VanDerWaalsContact OD1-ND2 3.14Å; N102-Q104 PolarHBondContact O-N 2.83Å
103	F	85.7	Confident	86.8	Confident	27 Å²	27	59.5 Å²	59.5	12%	0.118	31%	0.312	C	S	.	.			trans	-59.6	132.7	175.4	172.1	-104.1	0	0	0	110.4	V68 L70 L99 D100 A105	V68-F103 HydrophobicContact CG2-CZ 4.2Å; L70-F103 HydrophobicContact CB-CE2 3.84Å; L70-F103 HydrophobicContact CB-CZ 4.12Å; L70-F103 HydrophobicContact CD1-CD2 3.64Å; L70-F103 HydrophobicContact CD1-CE2 3.76Å; L70-F103 HydrophobicContact CD1-CG 4.19Å; L70-F103 HydrophobicContact CD1-CZ 4.34Å; L70-F103 HydrophobicContact CG-CE2 4.42Å; L99-F103 HydrophobicContact CD1-CB 4.12Å; L99-F103 HydrophobicContact CD1-CD1 3.94Å; L99-F103 HydrophobicContact CD1-CE1 4.46Å; L99-F103 HydrophobicContact CD1-CG 3.93Å; L99-F103 HydrophobicContact CD2-CB 4.28Å; L99-F103 HydrophobicContact CD2-CD1 3.54Å; L99-F103 HydrophobicContact CD2-CE1 4.2Å; L99-F103 HydrophobicContact CD2-CG 4.19Å; L99-F103 HydrophobicContact CG-CB 3.93Å; L99-F103 HydrophobicContact CG-CD1 3.98Å; L99-F103 HydrophobicContact CG-CG 4.12Å; D100-F103 VanDerWaalsContact O-CB 3.28Å; D100-F103 WeakPolarHBondContact O-CB 3.37Å; D100-F103 PolarHBondContact O-N 3.09Å; F103-A105 HydrophobicContact CE1-CB 3.91Å; F103-A105 HydrophobicContact CZ-CB 3.95Å
104	Q	87.3	Confident	86.4	Confident	156 Å²	156	61.7 Å²	61.7	73%	0.729	32%	0.322	S	S	*	.			trans	-125.3	121.7	170.4	-66.7	-172.2	-6.8	0	0	107.6	N102 Q106	N102-Q104 PolarHBondContact O-N 2.83Å; Q104-Q106 PolarHBondContact O-N 3.45Å
105	A	87.3	Confident	86.1	Confident	33 Å²	33	63.2 Å²	63.2	27%	0.273	33%	0.332	S	S	.	.			trans	-64.4	134.1	-178.7	0	0	0	0	0	111.1	F103 V115	F103-A105 HydrophobicContact CE1-CB 3.91Å; F103-A105 HydrophobicContact CZ-CB 3.95Å; A105-V115 HydrophobicContact CB-CB 4.01Å; A105-V115 HydrophobicContact CB-CG1 3.76Å; A105-V115 HydrophobicContact CB-CG2 4.18Å
106	Q	90.4	Very high	85.8	Confident	147 Å²	147	63.3 Å²	63.3	69%	0.687	33%	0.332	S	S	*	.			trans	-120.6	83	173.3	-64.7	-178.1	13.2	0	0	107.4	V68 Q104 N108	V68-Q106 CarbonylContact C-O 3.4Å; V68-Q106 VanDerWaalsContact C-O 3.25Å; V68-Q106 PolarHBondContact O-N 3.49Å; Q104-Q106 PolarHBondContact O-N 3.45Å; Q106-N108 PolarHBondContact O-N 3.36Å
107	P	86.5	Confident	85.5	Confident	61 Å²	61	65.9 Å²	65.9	40%	0.396	34%	0.342	S	S	.	.			trans	-61.7	129.4	-176.5	23.5	-31.8	0	0	0	110.8	E67 A109 V112 V115	E67-P107 WeakPolarHBondContact O-CA 3.35Å; P107-A109 PolarHBondContact O-N 3.17Å; P107-V112 HydrophobicContact CB-CB 4.13Å; P107-V112 HydrophobicContact CB-CG1 3.86Å; P107-V115 HydrophobicContact CB-CG2 4.1Å
108	N	86.8	Confident	85.4	Confident	51 Å²	51	65.8 Å²	65.8	27%	0.273	34%	0.341	S	S	.	.			trans	-73.9	109.5	167.9	176.4	4.3	0	0	0	109	E66 E67 Q106 D110 E111 V112	E66-N108 WeakPolarHBondContact O-CB 3.25Å; E66-N108 PolarHBondContact O-ND2 2.88Å; E67-N108 PolarHBondContact O-N 3.43Å; Q106-N108 PolarHBondContact O-N 3.36Å; N108-D110 PolarHBondContact O-N 3.14Å; N108-D110 WeakPolarHBondContact OD1-CB 3.16Å; N108-D110 PolarHBondContact OD1-N 2.93Å; N108-D110 VanDerWaalsContact OD1-N 3.12Å; N108-E111 PolarHBondContact O-N 3.39Å; N108-V112 PolarHBondContact O-N 2.89Å
109	A	86.5	Confident	85.4	Confident	84 Å²	84	63.8 Å²	63.8	69%	0.694	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.2	-175.5	0	0	0	0	0	114.2	P107 E111	P107-A109 PolarHBondContact O-N 3.17Å; A109-E111 VanDerWaalsContact C-N 3.27Å; A109-E111 PolarHBondContact O-N 3.26Å
110	D	85.2	Confident	85.5	Confident	115 Å²	115	64 Å²	64	62%	0.615	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.6	176.2	-65.9	-28.4	0	0	0	112.5	G31 A32 N108	G31-D110 CarbonylContact C-O 3.51Å; G31-D110 VanDerWaalsContact CA-O 3.29Å; G31-D110 WeakPolarHBondContact CA-O 3.29Å; A32-D110 PolarHBondContact N-O 3.26Å; N108-D110 PolarHBondContact O-N 3.14Å; N108-D110 WeakPolarHBondContact OD1-CB 3.16Å; N108-D110 PolarHBondContact OD1-N 2.93Å; N108-D110 VanDerWaalsContact OD1-N 3.12Å
111	E	80.5	Confident	85.8	Confident	32 Å²	32	65 Å²	65	15%	0.15	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-32.7	-172.3	-62.7	-173.3	171.7	0	0	113.3	T29 A32 E67 N108 A109	T29-E111 PolarHBondContact N-O 2.99Å; A32-E111 HydrophobicContact CB-CG 4.46Å; E67-E111 HydrophobicContact CG-CB 4.48Å; E67-E111 WeakPolarHBondContact CG-OE2 3.47Å; N108-E111 PolarHBondContact O-N 3.39Å; A109-E111 VanDerWaalsContact C-N 3.27Å; A109-E111 PolarHBondContact O-N 3.26Å
112	V	81.9	Confident	86.3	Confident	3 Å²	3	59 Å²	59	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.3	-171.9	-179.9	0	0	0	0	110.7	T26 T29 E67 V68 P107 N108 E114 V115	T26-V112 HydrophobicContact CG2-CG1 4.24Å; T26-V112 HydrophobicContact CG2-CG2 4.1Å; T29-V112 PolarHBondContact OG1-N 2.83Å; E67-V112 HydrophobicContact CB-CG2 3.63Å; E67-V112 HydrophobicContact CG-CG2 4.05Å; E67-V112 VanDerWaalsContact O-CG2 3.27Å; E67-V112 WeakPolarHBondContact O-CG2 3.35Å; V68-V112 HydrophobicContact CG1-CG2 4.48Å; P107-V112 HydrophobicContact CB-CB 4.13Å; P107-V112 HydrophobicContact CB-CG1 3.86Å; N108-V112 PolarHBondContact O-N 2.89Å; V112-E114 WeakPolarHBondContact CG1-O 3.21Å; V112-V115 HydrophobicContact CG1-CG2 3.84Å
113	K	83.6	Confident	86.6	Confident	134 Å²	134	54 Å²	54	58%	0.583	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	-41.2	-178.1	-172.2	174.8	168.7	-175	0	110.2	L27 T29	L27-K113 HydrophobicContact CB-CB 4.42Å; L27-K113 HydrophobicContact CD2-CB 3.82Å; L27-K113 HydrophobicContact CD2-CD 3.74Å; L27-K113 HydrophobicContact CD2-CG 3.94Å; L27-K113 HydrophobicContact CG-CB 4.04Å; L27-K113 HydrophobicContact CG-CD 4.47Å; L27-K113 PolarHBondContact O-N 3.34Å; L27-K113 VanDerWaalsContact O-N 3.11Å; T29-K113 HydrophobicContact CG2-CB 3.32Å; T29-K113 HydrophobicContact CG2-CD 3.78Å; T29-K113 HydrophobicContact CG2-CG 3.53Å; T29-K113 VanDerWaalsContact OG1-CA 3.22Å; T29-K113 WeakPolarHBondContact OG1-CA 3.49Å; T29-K113 WeakPolarHBondContact OG1-CB 3.41Å; T29-K113 PolarHBondContact OG1-N 3Å
114	E	84.7	Confident	87	Confident	52 Å²	52	52.7 Å²	52.7	24%	0.243	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	151.3	-168	-156.7	172.8	149.5	0	0	109.7	L27 V112 Y157	L27-E114 WeakPolarHBondContact CA-O 3Å; L27-E114 HydrophobicContact CB-CB 3.79Å; L27-E114 WeakPolarHBondContact CB-O 3.32Å; L27-E114 HydrophobicContact CD2-CB 3.4Å; L27-E114 VanDerWaalsContact CD2-CB 3.4Å; L27-E114 HydrophobicContact CD2-CG 4.43Å; L27-E114 HydrophobicContact CG-CB 4.21Å; L27-E114 PolarHBondContact N-O 3.35Å; V112-E114 WeakPolarHBondContact CG1-O 3.21Å; E114-Y157 PolarHBondContact OE1-OH 2.99Å
115	V	86	Confident	87.4	Confident	33 Å²	33	49.6 Å²	49.6	20%	0.2	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.3	171.8	177.7	0	0	0	0	106.1	V68 A105 P107 V112 F117	V68-V115 HydrophobicContact CB-CG2 4.33Å; V68-V115 HydrophobicContact CG1-CG2 3.59Å; A105-V115 HydrophobicContact CB-CB 4.01Å; A105-V115 HydrophobicContact CB-CG1 3.76Å; A105-V115 HydrophobicContact CB-CG2 4.18Å; P107-V115 HydrophobicContact CB-CG2 4.1Å; V112-V115 HydrophobicContact CG1-CG2 3.84Å; V115-F117 HydrophobicContact CG1-CE2 4.4Å; V115-F117 HydrophobicContact CG1-CZ 4.1Å
116	F	86.1	Confident	87.7	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.009	26%	0.261	C	S	.	.			trans	-134.9	169.4	175.7	66.4	-85.2	0	0	0	109.3	A25 L27 V42 V118 Y148 Y157 I159	A25-F116 WeakPolarHBondContact CA-O 3.34Å; A25-F116 HydrophobicContact CB-CB 4.35Å; A25-F116 HydrophobicContact CB-CD1 3.41Å; A25-F116 VanDerWaalsContact CB-CD1 3.41Å; A25-F116 HydrophobicContact CB-CD2 3.19Å; A25-F116 HydrophobicContact CB-CE1 3.3Å; A25-F116 HydrophobicContact CB-CE2 3.09Å; A25-F116 HydrophobicContact CB-CG 3.36Å; A25-F116 HydrophobicContact CB-CZ 3.14Å; A25-F116 WeakPolarHBondContact CB-O 3.3Å; A25-F116 PolarHBondContact N-O 3.3Å; A25-F116 VanDerWaalsContact N-O 3.13Å; A25-F116 PolarHBondContact O-N 3.06Å; L27-F116 HydrophobicContact CB-CE1 4.43Å; V42-F116 HydrophobicContact CB-CZ 4.47Å; V42-F116 HydrophobicContact CG1-CE1 4.07Å; V42-F116 HydrophobicContact CG1-CZ 3.69Å; V42-F116 HydrophobicContact CG2-CE1 4.07Å; V42-F116 HydrophobicContact CG2-CZ 3.88Å; F116-V118 HydrophobicContact CD2-CG2 3.76Å; F116-V118 HydrophobicContact CE2-CG2 3.56Å; F116-Y148 HydrophobicContact CD2-CD1 4.24Å; F116-Y148 HydrophobicContact CE2-CD1 4.36Å; F116-Y157 HydrophobicContact CB-CE1 4.37Å; F116-Y157 HydrophobicContact CB-CE2 3.9Å; F116-Y157 AromaticContact CD1-CD1 3.54Å; F116-Y157 HydrophobicContact CD1-CD1 3.54Å; F116-Y157 HydrophobicContact CD1-CD2 4.17Å; F116-Y157 AromaticContact CD1-CE1 3.4Å; F116-Y157 HydrophobicContact CD1-CE1 3.4Å; F116-Y157 HydrophobicContact CD1-CE2 4.06Å; F116-Y157 AromaticContact CD1-CG 3.92Å; F116-Y157 HydrophobicContact CD1-CG 3.92Å; F116-Y157 AromaticContact CD1-CZ 3.67Å; F116-Y157 HydrophobicContact CD2-CD1 4.38Å; F116-Y157 AromaticContact CD2-CD2 3.57Å; F116-Y157 HydrophobicContact CD2-CD2 3.57Å; F116-Y157 AromaticContact CD2-CE2 3.73Å; F116-Y157 HydrophobicContact CD2-CE2 3.73Å; F116-Y157 AromaticContact CD2-CG 3.91Å; F116-Y157 HydrophobicContact CD2-CG 3.91Å; F116-Y157 AromaticContact CE1-CD1 3.28Å; F116-Y157 HydrophobicContact CE1-CD1 3.28Å; F116-Y157 HydrophobicContact CE1-CD2 4.21Å; F116-Y157 AromaticContact CE1-CE1 3.69Å; F116-Y157 HydrophobicContact CE1-CE1 3.69Å; F116-Y157 AromaticContact CE1-CG 3.57Å; F116-Y157 HydrophobicContact CE1-CG 3.57Å; F116-Y157 HydrophobicContact CE2-CD1 4.16Å; F116-Y157 AromaticContact CE2-CD2 3.59Å; F116-Y157 HydrophobicContact CE2-CD2 3.59Å; F116-Y157 HydrophobicContact CE2-CE2 4.22Å; F116-Y157 AromaticContact CE2-CG 3.54Å; F116-Y157 HydrophobicContact CE2-CG 3.54Å; F116-Y157 HydrophobicContact CG-CD1 4.1Å; F116-Y157 AromaticContact CG-CD2 3.87Å; F116-Y157 HydrophobicContact CG-CD2 3.87Å; F116-Y157 AromaticContact CG-CE1 3.87Å; F116-Y157 HydrophobicContact CG-CE1 3.87Å; F116-Y157 AromaticContact CG-CE2 3.64Å; F116-Y157 HydrophobicContact CG-CE2 3.64Å; F116-Y157 HydrophobicContact CG-CG 4.08Å; F116-Y157 AromaticContact CG-CZ 3.62Å; F116-Y157 VanDerWaalsContact CZ-CB 3.4Å; F116-Y157 AromaticContact CZ-CD1 3.62Å; F116-Y157 HydrophobicContact CZ-CD1 3.62Å; F116-Y157 AromaticContact CZ-CD2 3.93Å; F116-Y157 HydrophobicContact CZ-CD2 3.93Å; F116-Y157 HydrophobicContact CZ-CE1 4.35Å; F116-Y157 AromaticContact CZ-CG 3.36Å; F116-Y157 HydrophobicContact CZ-CG 3.36Å; F116-I159 HydrophobicContact CE2-CD1 4.24Å; F116-I159 HydrophobicContact CZ-CG1 4.47Å
117	F	85.6	Confident	87.9	Confident	64 Å²	64	50.9 Å²	50.9	28%	0.281	27%	0.269	S	S	.	.			trans	-130.6	140.5	-176.6	-58.7	-79.1	0	0	0	109.8	D23 V115 Y148	D23-F117 HydrophobicContact CB-CD1 3.88Å; D23-F117 HydrophobicContact CB-CE1 4.07Å; V115-F117 HydrophobicContact CG1-CE2 4.4Å; V115-F117 HydrophobicContact CG1-CZ 4.1Å; F117-Y148 VanDerWaalsContact O-CE1 3.3Å; F117-Y148 WeakPolarHBondContact O-CE1 3.23Å
118	V	86	Confident	88.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.1	-174.1	-176.1	0	0	0	0	109.2	A22 V24 A25 F116 L120 Y122 F123 Y148 I159	A22-V118 CarbonylContact C-O 3.59Å; A22-V118 WeakPolarHBondContact CA-O 3.41Å; A22-V118 WeakPolarHBondContact CB-O 3.42Å; A22-V118 PolarHBondContact N-O 3.34Å; A22-V118 VanDerWaalsContact N-O 3.15Å; A22-V118 CarbonylContact O-C 3.6Å; A22-V118 PolarHBondContact O-N 3.33Å; V24-V118 WeakPolarHBondContact O-CG2 3.22Å; A25-V118 HydrophobicContact CB-CG2 4.42Å; F116-V118 HydrophobicContact CD2-CG2 3.76Å; F116-V118 HydrophobicContact CE2-CG2 3.56Å; V118-L120 PolarHBondContact O-N 3.23Å; V118-Y122 HydrophobicContact CG1-CD1 3.8Å; V118-Y122 HydrophobicContact CG1-CG 3.98Å; V118-F123 HydrophobicContact CB-CE2 3.99Å; V118-F123 HydrophobicContact CB-CZ 4Å; V118-F123 HydrophobicContact CG1-CE1 4.5Å; V118-F123 HydrophobicContact CG1-CE2 3.75Å; V118-F123 HydrophobicContact CG1-CZ 3.73Å; V118-F123 HydrophobicContact CG2-CZ 4.49Å; V118-Y148 HydrophobicContact CB-CD1 4.49Å; V118-Y148 HydrophobicContact CG1-CD1 4.42Å; V118-Y148 HydrophobicContact CG1-CD2 3.87Å; V118-Y148 HydrophobicContact CG1-CE2 4.19Å; V118-Y148 HydrophobicContact CG1-CG 3.99Å; V118-Y148 HydrophobicContact CG2-CD1 3.69Å; V118-Y148 HydrophobicContact CG2-CE1 4.03Å; V118-Y148 HydrophobicContact CG2-CG 3.99Å; V118-I159 HydrophobicContact CG1-CD1 4.45Å; V118-I159 HydrophobicContact CG2-CD1 3.79Å
119	P	86.9	Confident	88.9	Confident	27 Å²	27	51.2 Å²	51.2	18%	0.175	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51	137.3	175.8	-24.5	32.8	0	0	0	113.5	R21 D121 Y122 Y148	R21-P119 HydrophobicContact CG-CG 4.31Å; P119-D121 VanDerWaalsContact C-N 3.26Å; P119-D121 WeakPolarHBondContact CB-OD1 3.49Å; P119-D121 PolarHBondContact O-N 3.49Å; P119-Y122 WeakPolarHBondContact O-CB 3.44Å; P119-Y122 PolarHBondContact O-N 3.31Å; P119-Y148 WeakPolarHBondContact CD-OH 3.29Å; P119-Y148 HydrophobicContact CG-CE2 4.48Å
120	L	87	Confident	89.3	Confident	13 Å²	13	51.1 Å²	51.1	7%	0.068	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-64	-39.4	-173.6	-168.3	42.3	0	0	0	111.4	F8 A22 V118 Y122 F123 A171 I174 L175	F8-L120 HydrophobicContact CD1-CD1 4.32Å; F8-L120 HydrophobicContact CD1-CD2 3.99Å; F8-L120 HydrophobicContact CE1-CD1 3.65Å; F8-L120 HydrophobicContact CE1-CD2 4.06Å; F8-L120 HydrophobicContact CE1-CG 4.39Å; F8-L120 HydrophobicContact CZ-CD1 4.41Å; A22-L120 HydrophobicContact CB-CB 3.38Å; A22-L120 HydrophobicContact CB-CD1 3.72Å; A22-L120 HydrophobicContact CB-CD2 4.45Å; A22-L120 HydrophobicContact CB-CG 3.98Å; A22-L120 VanDerWaalsContact N-N 3.14Å; V118-L120 PolarHBondContact O-N 3.23Å; L120-Y122 PolarHBondContact O-N 3.03Å; L120-F123 HydrophobicContact CD1-CD2 4.32Å; L120-F123 PolarHBondContact O-N 3.39Å; L120-F123 VanDerWaalsContact O-N 3.14Å; L120-A171 HydrophobicContact CD1-CB 3.51Å; L120-A171 HydrophobicContact CG-CB 3.95Å; L120-I174 HydrophobicContact CD2-CB 3.89Å; L120-I174 HydrophobicContact CD2-CD1 4.02Å; L120-I174 HydrophobicContact CD2-CG2 3.81Å; L120-L175 HydrophobicContact CB-CD1 4.12Å; L120-L175 HydrophobicContact CD2-CD1 4.46Å; L120-L175 HydrophobicContact CD2-CD2 4.23Å; L120-L175 HydrophobicContact CD2-CG 4.11Å; L120-L175 HydrophobicContact CG-CD1 3.89Å; L120-L175 HydrophobicContact CG-CD2 4.47Å; L120-L175 HydrophobicContact CG-CG 4.08Å
121	D	90	Very high	89.8	Confident	79 Å²	79	49.4 Å²	49.4	42%	0.422	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-63.1	-22.2	176.3	63.5	-32.8	0	0	0	112.3	P119 F123 L124 H125 L175	P119-D121 VanDerWaalsContact C-N 3.26Å; P119-D121 WeakPolarHBondContact CB-OD1 3.49Å; P119-D121 PolarHBondContact O-N 3.49Å; D121-F123 PolarHBondContact O-N 3.02Å; D121-L124 PolarHBondContact O-N 3.5Å; D121-H125 PolarHBondContact O-N 2.79Å; D121-L175 HydrophobicContact CB-CD1 4.03Å
122	Y	91.4	Very high	90.4	Very high	21 Å²	21	52.5 Å²	52.5	8%	0.082	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-58.1	-34.8	173	-165.7	-99.5	0	0	0	112.1	V118 P119 L120 L124 H125 P126 Q127 V128 F146 E147 Y148	V118-Y122 HydrophobicContact CG1-CD1 3.8Å; V118-Y122 HydrophobicContact CG1-CG 3.98Å; P119-Y122 WeakPolarHBondContact O-CB 3.44Å; P119-Y122 PolarHBondContact O-N 3.31Å; L120-Y122 PolarHBondContact O-N 3.03Å; Y122-L124 PolarHBondContact O-N 3.49Å; Y122-H125 CarbonylContact O-C 3.43Å; Y122-P126 HydrophobicContact CD1-CB 4.39Å; Y122-P126 HydrophobicContact CE1-CB 3.98Å; Y122-P126 HydrophobicContact CE2-CB 4.35Å; Y122-P126 VanDerWaalsContact O-CA 3.23Å; Y122-P126 WeakPolarHBondContact O-CA 3.05Å; Y122-P126 VanDerWaalsContact O-CB 3.3Å; Y122-P126 WeakPolarHBondContact O-CB 3.33Å; Y122-P126 WeakPolarHBondContact O-CD 3.49Å; Y122-P126 VanDerWaalsContact O-N 3.09Å; Y122-Q127 HydrophobicContact CE2-CB 4.14Å; Y122-Q127 HydrophobicContact CE2-CG 4.32Å; Y122-Q127 PolarHBondContact OH-N 3.44Å; Y122-V128 PolarHBondContact OH-N 2.77Å; Y122-V128 VanDerWaalsContact OH-N 3.15Å; Y122-V128 PolarHBondContact OH-O 3.09Å; Y122-F146 HydrophobicContact CE1-CB 4.2Å; Y122-F146 HydrophobicContact CE1-CD1 4.43Å; Y122-E147 PolarHBondContact OH-O 3.18Å; Y122-Y148 HydrophobicContact CD1-CD2 4.05Å; Y122-Y148 HydrophobicContact CD2-CD2 4.02Å; Y122-Y148 HydrophobicContact CD2-CE2 4.4Å; Y122-Y148 HydrophobicContact CE1-CD2 4.03Å; Y122-Y148 HydrophobicContact CE2-CD2 4.02Å; Y122-Y148 HydrophobicContact CG-CD2 4.07Å
123	F	93.1	Very high	90.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-76	-8.7	179	-62.8	-71.7	0	0	0	113.3	V118 L120 D121 F146 I159 A167 V168 A171 F181	V118-F123 HydrophobicContact CB-CE2 3.99Å; V118-F123 HydrophobicContact CB-CZ 4Å; V118-F123 HydrophobicContact CG1-CE1 4.5Å; V118-F123 HydrophobicContact CG1-CE2 3.75Å; V118-F123 HydrophobicContact CG1-CZ 3.73Å; V118-F123 HydrophobicContact CG2-CZ 4.49Å; L120-F123 HydrophobicContact CD1-CD2 4.32Å; L120-F123 PolarHBondContact O-N 3.39Å; L120-F123 VanDerWaalsContact O-N 3.14Å; D121-F123 PolarHBondContact O-N 3.02Å; F123-F146 HydrophobicContact CD1-CD2 4.05Å; F123-F146 HydrophobicContact CD1-CE2 4.06Å; F123-F146 HydrophobicContact CD1-CG 4.3Å; F123-F146 HydrophobicContact CD1-CZ 4.3Å; F123-F146 HydrophobicContact CE1-CD2 4.35Å; F123-I159 HydrophobicContact CE1-CD1 3.93Å; F123-I159 HydrophobicContact CE1-CG2 4.25Å; F123-I159 HydrophobicContact CZ-CD1 3.94Å; F123-A167 HydrophobicContact CD1-CB 3.61Å; F123-A167 HydrophobicContact CD2-CB 3.88Å; F123-A167 HydrophobicContact CE1-CB 3.55Å; F123-A167 HydrophobicContact CE2-CB 3.83Å; F123-A167 HydrophobicContact CG-CB 3.77Å; F123-A167 HydrophobicContact CZ-CB 3.66Å; F123-V168 HydrophobicContact CB-CG2 4.31Å; F123-A171 HydrophobicContact CB-CB 4.06Å; F123-F181 WeakPolarHBondContact O-CE1 3.49Å; F123-F181 WeakPolarHBondContact O-CZ 3.41Å
124	L	93.3	Very high	91.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-35.4	172.5	-57.5	-175.3	0	0	0	111.9	D121 Y122 P126 A171 L172 L175 Q177 P179 A180	D121-L124 PolarHBondContact O-N 3.5Å; Y122-L124 PolarHBondContact O-N 3.49Å; L124-P126 VanDerWaalsContact C-CD 3.45Å; L124-A171 HydrophobicContact CD1-CB 4.24Å; L124-A171 HydrophobicContact CD2-CB 3.77Å; L124-A171 HydrophobicContact CG-CB 3.77Å; L124-L172 HydrophobicContact CD2-CD2 3.67Å; L124-L172 HydrophobicContact CD2-CG 4Å; L124-L175 HydrophobicContact CD1-CB 3.9Å; L124-L175 HydrophobicContact CD1-CD1 3.74Å; L124-L175 HydrophobicContact CD1-CG 4.39Å; L124-L175 HydrophobicContact CG-CD1 4.39Å; L124-Q177 HydrophobicContact CD1-CB 3.7Å; L124-P179 HydrophobicContact CD2-CB 4.09Å; L124-P179 CarbonylContact O-C 3.57Å; L124-P179 WeakPolarHBondContact O-CA 3.25Å; L124-A180 PolarHBondContact O-N 3.46Å
125	H	95.5	Very high	91.2	Very high	90 Å²	90	55.9 Å²	55.9	42%	0.417	28%	0.275	S	S	.	.	S	Bend	trans	-129.9	64.3	-177.1	-55.3	-63.7	0	0	0	111.3	D121 Y122 S178	D121-H125 PolarHBondContact O-N 2.79Å; Y122-H125 CarbonylContact O-C 3.43Å; H125-S178 PolarHBondContact CE1-O 2.9Å
126	P	95.2	Very high	91	Very high	26 Å²	26	56.4 Å²	56.4	17%	0.169	28%	0.275	C	S	.	.			trans	-70.1	149.9	-176.8	29.9	-37.5	0	0	0	112.1	Y122 L124 Y129 F146 F181	Y122-P126 HydrophobicContact CD1-CB 4.39Å; Y122-P126 HydrophobicContact CE1-CB 3.98Å; Y122-P126 HydrophobicContact CE2-CB 4.35Å; Y122-P126 VanDerWaalsContact O-CA 3.23Å; Y122-P126 WeakPolarHBondContact O-CA 3.05Å; Y122-P126 VanDerWaalsContact O-CB 3.3Å; Y122-P126 WeakPolarHBondContact O-CB 3.33Å; Y122-P126 WeakPolarHBondContact O-CD 3.49Å; Y122-P126 VanDerWaalsContact O-N 3.09Å; L124-P126 VanDerWaalsContact C-CD 3.45Å; P126-Y129 HydrophobicContact CG-CD2 4.37Å; P126-Y129 HydrophobicContact CG-CG 3.88Å; P126-F146 HydrophobicContact CB-CD1 3.72Å; P126-F146 HydrophobicContact CB-CE1 4.03Å; P126-F146 HydrophobicContact CG-CD1 4Å; P126-F146 HydrophobicContact CG-CE1 3.84Å; P126-F181 HydrophobicContact CG-CD1 4.2Å; P126-F181 HydrophobicContact CG-CE1 4.1Å
127	Q	95	Very high	90.8	Very high	181 Å²	181	60.9 Å²	60.9	85%	0.846	31%	0.307	S	S	*	.	S	Bend	trans	-76.3	-41	169.8	-70.6	-172.6	-3.6	0	0	111.6	Y122	Y122-Q127 HydrophobicContact CE2-CB 4.14Å; Y122-Q127 HydrophobicContact CE2-CG 4.32Å; Y122-Q127 PolarHBondContact OH-N 3.44Å
128	V	96.1	Very high	90.7	Very high	67 Å²	67	61.3 Å²	61.3	41%	0.406	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	113.9	178.5	-174.1	0	0	0	0	109.1	Y122 E147	Y122-V128 PolarHBondContact OH-N 2.77Å; Y122-V128 VanDerWaalsContact OH-N 3.15Å; Y122-V128 PolarHBondContact OH-O 3.09Å; V128-E147 HydrophobicContact CB-CB 3.92Å; V128-E147 HydrophobicContact CG1-CB 3.73Å; V128-E147 HydrophobicContact CG1-CG 4.17Å; V128-E147 PolarHBondContact O-N 2.81Å
129	Y	96.7	Very high	90.6	Very high	52 Å²	52	66.9 Å²	66.9	20%	0.204	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	143	-177.4	163.5	-94.3	0	0	0	111.2	P126 Q131 H144 C145 F146 F181	P126-Y129 HydrophobicContact CG-CD2 4.37Å; P126-Y129 HydrophobicContact CG-CG 3.88Å; Y129-Q131 PolarHBondContact OH-OE1 3.11Å; Y129-H144 HydrophobicContact CE2-CB 3.93Å; Y129-H144 AromaticContact CE2-ND1 3.63Å; Y129-H144 AromaticContact CZ-ND1 3.7Å; Y129-H144 PolarHBondContact OH-ND1 2.96Å; Y129-C145 WeakPolarHBondContact CA-O 3.49Å; Y129-C145 WeakPolarHBondContact CD2-O 3.41Å; Y129-F146 AromaticContact CD2-CD1 3.71Å; Y129-F146 HydrophobicContact CD2-CD1 3.71Å; Y129-F146 AromaticContact CD2-CE1 3.48Å; Y129-F146 HydrophobicContact CD2-CE1 3.48Å; Y129-F146 VanDerWaalsContact CD2-CE1 3.48Å; Y129-F146 HydrophobicContact CD2-CE2 4.48Å; Y129-F146 HydrophobicContact CD2-CG 4.31Å; Y129-F146 AromaticContact CD2-CZ 3.9Å; Y129-F146 HydrophobicContact CD2-CZ 3.9Å; Y129-F146 HydrophobicContact CE2-CE1 4.02Å; Y129-F146 AromaticContact CE2-CZ 3.98Å; Y129-F146 HydrophobicContact CE2-CZ 3.98Å; Y129-F146 HydrophobicContact CG-CD1 4.45Å; Y129-F146 HydrophobicContact CG-CE1 4.32Å; Y129-F181 HydrophobicContact CD1-CB 4.02Å; Y129-F181 HydrophobicContact CD1-CD1 4.18Å; Y129-F181 HydrophobicContact CD1-CG 4.16Å; Y129-F181 HydrophobicContact CD2-CD1 4.45Å; Y129-F181 HydrophobicContact CE1-CB 3.3Å; Y129-F181 HydrophobicContact CE1-CD1 4.03Å; Y129-F181 HydrophobicContact CE1-CD2 4.11Å; Y129-F181 AromaticContact CE1-CG 3.55Å; Y129-F181 HydrophobicContact CE1-CG 3.55Å; Y129-F181 HydrophobicContact CE2-CD1 4.28Å; Y129-F181 HydrophobicContact CE2-CD2 4.06Å; Y129-F181 HydrophobicContact CE2-CE1 4.46Å; Y129-F181 HydrophobicContact CE2-CE2 4.24Å; Y129-F181 HydrophobicContact CE2-CG 4.09Å; Y129-F181 HydrophobicContact CE2-CZ 4.45Å; Y129-F181 HydrophobicContact CG-CD1 4.39Å; Y129-F181 AromaticContact CZ-CD2 3.56Å; Y129-F181 AromaticContact CZ-CG 3.49Å; Y129-F181 VanDerWaalsContact CZ-CG 3.49Å; Y129-F181 VanDerWaalsContact OH-CD2 3.26Å; Y129-F181 WeakPolarHBondContact OH-CD2 3.33Å
130	Y	96.2	Very high	90.6	Very high	82 Å²	82	70.7 Å²	70.7	32%	0.322	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	163.9	167	55.9	-86.7	0	0	0	110.1	C145 E147	Y130-C145 HydrophobicContact CD1-CB 4.26Å; Y130-C145 HydrophobicContact CD2-CB 3.61Å; Y130-C145 HydrophobicContact CE1-CB 3.96Å; Y130-C145 HydrophobicContact CE2-CB 3.26Å; Y130-C145 VanDerWaalsContact CE2-SG 3.58Å; Y130-C145 HydrophobicContact CG-CB 4.1Å; Y130-C145 VanDerWaalsContact CZ-CB 3.46Å; Y130-C145 PolarHBondContact N-O 2.83Å; Y130-C145 WeakPolarHBondContact O-CB 3.41Å; Y130-C145 PolarHBondContact O-N 3.49Å; Y130-E147 HydrophobicContact CE1-CG 4.4Å; Y130-E147 WeakPolarHBondContact CE1-OE1 3.5Å
131	Q	94.4	Very high	90.6	Very high	80 Å²	80	71.1 Å²	71.1	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145	179.7	58.2	-177	38.8	0	0	111.5	Y129 I142 M143	Y129-Q131 PolarHBondContact OH-OE1 3.11Å; Q131-I142 HydrophobicContact CB-CG2 3.85Å; Q131-M143 WeakPolarHBondContact CA-O 3.22Å
132	K	93.2	Very high	90.6	Very high	96 Å²	96	67.7 Å²	67.7	42%	0.417	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133	168.6	-59.4	-175.8	-167.1	161	0	108.7	M143	K132-M143 HydrophobicContact CB-CB 4.46Å; K132-M143 HydrophobicContact CB-CE 4.15Å; K132-M143 HydrophobicContact CD-CE 3.63Å; K132-M143 HydrophobicContact CG-CE 4.23Å; K132-M143 PolarHBondContact N-O 3.02Å; K132-M143 PolarHBondContact O-N 3.45Å
133	Q	91	Very high	90.6	Very high	106 Å²	106	68.5 Å²	68.5	50%	0.495	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.7	168	-67.8	-65.7	-16.9	0	0	108.1
134	I	89.2	Confident	90.6	Very high	61 Å²	61	68.6 Å²	68.6	31%	0.313	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.2	178	-55.3	-174.5	0	0	0	107.8	Q136 F141 M143	I134-Q136 HydrophobicContact CG2-CG 4.32Å; I134-F141 PolarHBondContact N-O 2.96Å; I134-F141 PolarHBondContact O-N 3.28Å; I134-M143 HydrophobicContact CD1-CB 3.54Å; I134-M143 HydrophobicContact CD1-CE 3.97Å; I134-M143 HydrophobicContact CD1-CG 4.18Å; I134-M143 HydrophobicContact CD1-SD 3.7Å; I134-M143 HydrophobicContact CG1-CB 4.1Å
135	T	87.4	Confident	90.7	Very high	94 Å²	94	68.6 Å²	68.6	58%	0.577	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	120	171.8	-49.6	0	0	0	0	109.3	R139 D140	T135-R139 CarbonylContact C-O 3.57Å; T135-R139 WeakPolarHBondContact CA-O 3.15Å; T135-D140 WeakPolarHBondContact CB-OD1 3.41Å; T135-D140 WeakPolarHBondContact CG2-OD1 3.22Å; T135-D140 PolarHBondContact OG1-OD1 3Å
136	Q	81.4	Confident	90.6	Very high	43 Å²	43	64.3 Å²	64.3	20%	0.201	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.8	171.6	-87.7	-173.9	-15.1	0	0	110	D87 I134 G138 R139 F141 W200 R201	D87-Q136 PolarHBondContact OD1-NE2 2.8Å; D87-Q136 PolarHBondContact OD1-OE1 2.87Å; D87-Q136 PolarHBondContact OD2-NE2 3.25Å; I134-Q136 HydrophobicContact CG2-CG 4.32Å; Q136-G138 PolarHBondContact O-N 3.35Å; Q136-G138 VanDerWaalsContact O-N 3.07Å; Q136-R139 PolarHBondContact N-O 3.06Å; Q136-R139 PolarHBondContact O-N 2.85Å; Q136-F141 HydrophobicContact CB-CD2 4.11Å; Q136-F141 HydrophobicContact CB-CE2 4.03Å; Q136-W200 WeakPolarHBondContact O-CH2 3.49Å; Q136-R201 VanDerWaalsContact OE1-CZ 3.27Å
137	S	81.7	Confident	90.6	Very high	97 Å²	97	65.9 Å²	65.9	68%	0.678	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	39.8	177.3	-56.8	0	0	0	0	113.5	R139	S137-R139 VanDerWaalsContact C-N 3.33Å; S137-R139 PolarHBondContact O-N 2.81Å
138	G	83.2	Confident	90.3	Very high	72 Å²	72	57.9 Å²	57.9	74%	0.742	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	6.3	179.2	0	0	0	0	0	116	Q136	Q136-G138 PolarHBondContact O-N 3.35Å; Q136-G138 VanDerWaalsContact O-N 3.07Å
139	R	84.3	Confident	90.1	Very high	118 Å²	118	61.5 Å²	61.5	45%	0.445	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.6	170.8	-69.8	-168.2	-178.1	179.3	0	111.1	T135 Q136 S137 F141 W200	T135-R139 CarbonylContact C-O 3.57Å; T135-R139 WeakPolarHBondContact CA-O 3.15Å; Q136-R139 PolarHBondContact N-O 3.06Å; Q136-R139 PolarHBondContact O-N 2.85Å; S137-R139 VanDerWaalsContact C-N 3.33Å; S137-R139 PolarHBondContact O-N 2.81Å; R139-F141 HydrophobicContact CB-CE2 3.74Å; R139-F141 HydrophobicContact CB-CZ 3.93Å; R139-F141 WeakPolarHBondContact O-CD2 3.46Å; R139-W200 HydrophobicContact CB-CH2 3.93Å; R139-W200 HydrophobicContact CB-CZ2 3.98Å; R139-W200 VanDerWaalsContact CD-CE2 3.47Å; R139-W200 VanDerWaalsContact CD-CZ2 3.46Å; R139-W200 HydrophobicContact CG-CH2 4.09Å; R139-W200 HydrophobicContact CG-CZ2 3.62Å; R139-W200 VanDerWaalsContact CZ-CG 3.49Å; R139-W200 VanDerWaalsContact CZ-NE1 3.34Å; R139-W200 VanDerWaalsContact NH2-CD1 3.33Å
140	D	87.3	Confident	89.7	Confident	107 Å²	107	59.8 Å²	59.8	57%	0.572	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	135.8	174.5	-64.6	-23.5	0	0	0	110.5	T135	T135-D140 WeakPolarHBondContact CB-OD1 3.41Å; T135-D140 WeakPolarHBondContact CG2-OD1 3.22Å; T135-D140 PolarHBondContact OG1-OD1 3Å
141	F	86.7	Confident	89.3	Confident	22 Å²	22	60.4 Å²	60.4	10%	0.096	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145	176.3	-64.3	-80.3	0	0	0	110.1	I134 Q136 R139 D184 T197 W200	I134-F141 PolarHBondContact N-O 2.96Å; I134-F141 PolarHBondContact O-N 3.28Å; Q136-F141 HydrophobicContact CB-CD2 4.11Å; Q136-F141 HydrophobicContact CB-CE2 4.03Å; R139-F141 HydrophobicContact CB-CE2 3.74Å; R139-F141 HydrophobicContact CB-CZ 3.93Å; R139-F141 WeakPolarHBondContact O-CD2 3.46Å; F141-D184 WeakPolarHBondContact CA-OD2 3.45Å; F141-T197 HydrophobicContact CE1-CG2 4.25Å; F141-W200 HydrophobicContact CE1-CZ3 4.41Å; F141-W200 AromaticContact CE2-CH2 3.78Å; F141-W200 HydrophobicContact CE2-CH2 3.78Å; F141-W200 AromaticContact CE2-CZ3 3.67Å; F141-W200 HydrophobicContact CE2-CZ3 3.67Å; F141-W200 AromaticContact CZ-CE3 3.95Å; F141-W200 HydrophobicContact CZ-CE3 3.95Å; F141-W200 AromaticContact CZ-CH2 3.76Å; F141-W200 HydrophobicContact CZ-CH2 3.76Å; F141-W200 AromaticContact CZ-CZ3 3.26Å; F141-W200 HydrophobicContact CZ-CZ3 3.26Å
142	I	91	Very high	88.9	Confident	6 Å²	6	63.2 Å²	63.2	3%	0.031	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.9	169.1	-65.1	171.6	0	0	0	108.6	Q131 H144 K182 D184	Q131-I142 HydrophobicContact CB-CG2 3.85Å; I142-H144 WeakPolarHBondContact CG2-CE1 3.27Å; I142-K182 HydrophobicContact CD1-CB 4.22Å; I142-K182 HydrophobicContact CD1-CD 3.98Å; I142-K182 HydrophobicContact CD1-CG 3.87Å; I142-D184 WeakPolarHBondContact CB-OD1 3.11Å; I142-D184 VanDerWaalsContact CD1-OD1 3.31Å; I142-D184 WeakPolarHBondContact CD1-OD1 3.45Å; I142-D184 WeakPolarHBondContact CG1-OD1 3.39Å; I142-D184 PolarHBondContact N-OD1 2.93Å; I142-D184 PolarHBondContact N-OD2 2.91Å
143	M	91.1	Very high	88.7	Confident	38 Å²	38	62.5 Å²	62.5	19%	0.187	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	114.9	161.9	-174.2	174.3	70.3	0	0	109.2	Q131 K132 I134	Q131-M143 WeakPolarHBondContact CA-O 3.22Å; K132-M143 HydrophobicContact CB-CB 4.46Å; K132-M143 HydrophobicContact CB-CE 4.15Å; K132-M143 HydrophobicContact CD-CE 3.63Å; K132-M143 HydrophobicContact CG-CE 4.23Å; K132-M143 PolarHBondContact N-O 3.02Å; K132-M143 PolarHBondContact O-N 3.45Å; I134-M143 HydrophobicContact CD1-CB 3.54Å; I134-M143 HydrophobicContact CD1-CE 3.97Å; I134-M143 HydrophobicContact CD1-CG 4.18Å; I134-M143 HydrophobicContact CD1-SD 3.7Å; I134-M143 HydrophobicContact CG1-CB 4.1Å
144	H	93.4	Very high	88.7	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.009	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131.4	175.3	-58.7	-66.8	0	0	0	110.4	Y129 I142 F146 Q160 S164 F181 K182	Y129-H144 HydrophobicContact CE2-CB 3.93Å; Y129-H144 AromaticContact CE2-ND1 3.63Å; Y129-H144 AromaticContact CZ-ND1 3.7Å; Y129-H144 PolarHBondContact OH-ND1 2.96Å; I142-H144 WeakPolarHBondContact CG2-CE1 3.27Å; H144-F146 HydrophobicContact CB-CD2 4.3Å; H144-F146 HydrophobicContact CB-CE2 3.57Å; H144-F146 HydrophobicContact CB-CZ 4.1Å; H144-Q160 VanDerWaalsContact O-CA 3.32Å; H144-Q160 WeakPolarHBondContact O-CA 3.15Å; H144-S164 WeakPolarHBondContact O-CB 3.39Å; H144-S164 PolarHBondContact O-OG 2.83Å; H144-F181 AromaticContact CE1-CD2 3.88Å; H144-F181 AromaticContact CE1-CE2 3.68Å; H144-F181 AromaticContact ND1-CD2 3.87Å; H144-F181 AromaticContact ND1-CE2 3.66Å; H144-K182 PolarHBondContact CE1-O 2.94Å
145	C	94.6	Very high	88.6	Confident	0 Å²	0	59 Å²	59	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.9	174.5	-61.6	0	0	0	0	108.8	Y129 Y130 L158 Q160	Y129-C145 WeakPolarHBondContact CA-O 3.49Å; Y129-C145 WeakPolarHBondContact CD2-O 3.41Å; Y130-C145 HydrophobicContact CD1-CB 4.26Å; Y130-C145 HydrophobicContact CD2-CB 3.61Å; Y130-C145 HydrophobicContact CE1-CB 3.96Å; Y130-C145 HydrophobicContact CE2-CB 3.26Å; Y130-C145 VanDerWaalsContact CE2-SG 3.58Å; Y130-C145 HydrophobicContact CG-CB 4.1Å; Y130-C145 VanDerWaalsContact CZ-CB 3.46Å; Y130-C145 PolarHBondContact N-O 2.83Å; Y130-C145 WeakPolarHBondContact O-CB 3.41Å; Y130-C145 PolarHBondContact O-N 3.49Å; C145-L158 HydrophobicContact CB-CD1 4.21Å; C145-Q160 HydrophobicContact CB-CB 4.43Å
146	F	93.8	Very high	88.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.7	178.5	-60.9	-85.6	0	0	0	109.1	Y122 F123 P126 Y129 H144 L158 I159 V168 F181	Y122-F146 HydrophobicContact CE1-CB 4.2Å; Y122-F146 HydrophobicContact CE1-CD1 4.43Å; F123-F146 HydrophobicContact CD1-CD2 4.05Å; F123-F146 HydrophobicContact CD1-CE2 4.06Å; F123-F146 HydrophobicContact CD1-CG 4.3Å; F123-F146 HydrophobicContact CD1-CZ 4.3Å; F123-F146 HydrophobicContact CE1-CD2 4.35Å; P126-F146 HydrophobicContact CB-CD1 3.72Å; P126-F146 HydrophobicContact CB-CE1 4.03Å; P126-F146 HydrophobicContact CG-CD1 4Å; P126-F146 HydrophobicContact CG-CE1 3.84Å; Y129-F146 AromaticContact CD2-CD1 3.71Å; Y129-F146 HydrophobicContact CD2-CD1 3.71Å; Y129-F146 AromaticContact CD2-CE1 3.48Å; Y129-F146 HydrophobicContact CD2-CE1 3.48Å; Y129-F146 VanDerWaalsContact CD2-CE1 3.48Å; Y129-F146 HydrophobicContact CD2-CE2 4.48Å; Y129-F146 HydrophobicContact CD2-CG 4.31Å; Y129-F146 AromaticContact CD2-CZ 3.9Å; Y129-F146 HydrophobicContact CD2-CZ 3.9Å; Y129-F146 HydrophobicContact CE2-CE1 4.02Å; Y129-F146 AromaticContact CE2-CZ 3.98Å; Y129-F146 HydrophobicContact CE2-CZ 3.98Å; Y129-F146 HydrophobicContact CG-CD1 4.45Å; Y129-F146 HydrophobicContact CG-CE1 4.32Å; H144-F146 HydrophobicContact CB-CD2 4.3Å; H144-F146 HydrophobicContact CB-CE2 3.57Å; H144-F146 HydrophobicContact CB-CZ 4.1Å; F146-L158 CarbonylContact O-C 3.6Å; F146-L158 WeakPolarHBondContact O-CA 3.11Å; F146-I159 HydrophobicContact CB-CB 4.29Å; F146-I159 PolarHBondContact N-O 3.26Å; F146-I159 PolarHBondContact O-N 3.46Å; F146-V168 HydrophobicContact CE2-CG2 3.74Å; F146-V168 HydrophobicContact CZ-CG2 3.53Å; F146-F181 AromaticContact CE1-CE1 3.85Å; F146-F181 HydrophobicContact CE1-CE1 3.85Å; F146-F181 AromaticContact CE1-CZ 3.93Å; F146-F181 HydrophobicContact CE1-CZ 3.93Å; F146-F181 HydrophobicContact CZ-CE1 4.06Å; F146-F181 HydrophobicContact CZ-CE2 4.34Å; F146-F181 AromaticContact CZ-CZ 3.64Å; F146-F181 HydrophobicContact CZ-CZ 3.64Å
147	E	94.3	Very high	89.1	Confident	59 Å²	59	57.1 Å²	57.1	28%	0.276	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116.6	168	-69.3	-176.9	-145.6	0	0	108.4	Y122 V128 Y130 N156 Y157 L158	Y122-E147 PolarHBondContact OH-O 3.18Å; V128-E147 HydrophobicContact CB-CB 3.92Å; V128-E147 HydrophobicContact CG1-CB 3.73Å; V128-E147 HydrophobicContact CG1-CG 4.17Å; V128-E147 PolarHBondContact O-N 2.81Å; Y130-E147 HydrophobicContact CE1-CG 4.4Å; Y130-E147 WeakPolarHBondContact CE1-OE1 3.5Å; E147-N156 PolarHBondContact OE2-ND2 3.11Å; E147-N156 VanDerWaalsContact OE2-ND2 3.11Å; E147-Y157 CarbonylContact C-O 3.56Å; E147-Y157 VanDerWaalsContact CA-O 3.31Å; E147-Y157 WeakPolarHBondContact CA-O 3.46Å; E147-L158 HydrophobicContact CG-CD1 3.94Å
148	Y	90	Very high	89.6	Confident	14 Å²	14	55.5 Å²	55.5	6%	0.055	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.2	179.5	177.5	-105.1	0	0	0	109.9	F116 F117 V118 P119 Y122 D150 P151 N156 Y157	F116-Y148 HydrophobicContact CD2-CD1 4.24Å; F116-Y148 HydrophobicContact CE2-CD1 4.36Å; F117-Y148 VanDerWaalsContact O-CE1 3.3Å; F117-Y148 WeakPolarHBondContact O-CE1 3.23Å; V118-Y148 HydrophobicContact CB-CD1 4.49Å; V118-Y148 HydrophobicContact CG1-CD1 4.42Å; V118-Y148 HydrophobicContact CG1-CD2 3.87Å; V118-Y148 HydrophobicContact CG1-CE2 4.19Å; V118-Y148 HydrophobicContact CG1-CG 3.99Å; V118-Y148 HydrophobicContact CG2-CD1 3.69Å; V118-Y148 HydrophobicContact CG2-CE1 4.03Å; V118-Y148 HydrophobicContact CG2-CG 3.99Å; P119-Y148 WeakPolarHBondContact CD-OH 3.29Å; P119-Y148 HydrophobicContact CG-CE2 4.48Å; Y122-Y148 HydrophobicContact CD1-CD2 4.05Å; Y122-Y148 HydrophobicContact CD2-CD2 4.02Å; Y122-Y148 HydrophobicContact CD2-CE2 4.4Å; Y122-Y148 HydrophobicContact CE1-CD2 4.03Å; Y122-Y148 HydrophobicContact CE2-CD2 4.02Å; Y122-Y148 HydrophobicContact CG-CD2 4.07Å; Y148-D150 HydrophobicContact CE1-CB 4.09Å; Y148-P151 WeakPolarHBondContact OH-CD 3.41Å; Y148-N156 VanDerWaalsContact C-OD1 3.27Å; Y148-N156 CarbonylContact O-C 3.58Å; Y148-N156 WeakPolarHBondContact O-CA 3.31Å; Y148-N156 PolarHBondContact O-OD1 3.26Å; Y148-Y157 HydrophobicContact CD1-CD2 4.19Å; Y148-Y157 PolarHBondContact N-O 3.12Å; Y148-Y157 WeakPolarHBondContact O-CD2 3.27Å; Y148-Y157 PolarHBondContact O-N 3.48Å
149	K	92	Very high	89.9	Confident	142 Å²	142	52.2 Å²	52.2	62%	0.617	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.4	171.6	-171.7	176.5	-176.4	177.7	0	109.6	P151 G154 V155	K149-P151 WeakPolarHBondContact O-CD 3.31Å; K149-G154 VanDerWaalsContact CE-O 3.25Å; K149-G154 WeakPolarHBondContact CE-O 3.48Å; K149-V155 CarbonylContact C-O 3.34Å; K149-V155 WeakPolarHBondContact CA-O 3.07Å
150	D	87.1	Confident	90.2	Very high	17 Å²	17	49.3 Å²	49.3	9%	0.091	26%	0.264	C	S	.	.			trans	-66.4	121.3	175.1	176	-6.3	0	0	0	109.4	Y148 E152 T153 G154 V155 Y157	Y148-D150 HydrophobicContact CE1-CB 4.09Å; D150-E152 PolarHBondContact O-N 3.12Å; D150-E152 WeakPolarHBondContact OD1-CB 3.31Å; D150-E152 PolarHBondContact OD1-N 3.19Å; D150-T153 WeakPolarHBondContact CB-OG1 3.46Å; D150-T153 VanDerWaalsContact CG-OG1 3.27Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.44Å; D150-T153 PolarHBondContact OD2-OG1 3.49Å; D150-G154 WeakPolarHBondContact O-CA 3.23Å; D150-G154 PolarHBondContact O-N 3.15Å; D150-V155 PolarHBondContact N-O 3.01Å; D150-Y157 HydrophobicContact CB-CE2 3.86Å
151	P	89.2	Confident	90.1	Very high	94 Å²	94	45.4 Å²	45.4	61%	0.61	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.5	-178.9	29.1	-35.9	0	0	0	113.8	Y148 K149	Y148-P151 WeakPolarHBondContact OH-CD 3.41Å; K149-P151 WeakPolarHBondContact O-CD 3.31Å
152	E	86.3	Confident	90	Very high	140 Å²	140	45 Å²	45	65%	0.654	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-46.4	-178.5	-65.5	175.7	-153.8	0	0	111.4	R21 D150	R21-E152 IonicContact CZ-OE1 3.99Å; R21-E152 VanDerWaalsContact CZ-OE1 3.27Å; R21-E152 IonicContact NH1-OE1 3.46Å; R21-E152 PolarHBondContact NH1-OE1 3.06Å; R21-E152 IonicContact NH2-OE1 3.01Å; R21-E152 PolarHBondContact NH2-OE1 2.55Å; D150-E152 PolarHBondContact O-N 3.12Å; D150-E152 WeakPolarHBondContact OD1-CB 3.31Å; D150-E152 PolarHBondContact OD1-N 3.19Å
153	T	87.6	Confident	89.8	Confident	80 Å²	80	44.9 Å²	44.9	49%	0.491	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-22.3	-177.2	64.7	0	0	0	0	113.2	D150 V155	D150-T153 WeakPolarHBondContact CB-OG1 3.46Å; D150-T153 VanDerWaalsContact CG-OG1 3.27Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.44Å; D150-T153 PolarHBondContact OD2-OG1 3.49Å; T153-V155 PolarHBondContact O-N 3.47Å; T153-V155 PolarHBondContact OG1-N 3.36Å
154	G	91.2	Very high	89.8	Confident	40 Å²	40	43.1 Å²	43.1	41%	0.412	24%	0.239	S	C	.	.			trans	75.7	-0.1	-173.4	0	0	0	0	0	114.5	K149 D150	K149-G154 VanDerWaalsContact CE-O 3.25Å; K149-G154 WeakPolarHBondContact CE-O 3.48Å; D150-G154 WeakPolarHBondContact O-CA 3.23Å; D150-G154 PolarHBondContact O-N 3.15Å
155	V	88.1	Confident	89.6	Confident	55 Å²	55	44.1 Å²	44.1	33%	0.333	24%	0.243	S	C	.	.			trans	-70	141.5	178.9	179.7	0	0	0	0	109.8	K149 D150 T153 Y157	K149-V155 CarbonylContact C-O 3.34Å; K149-V155 WeakPolarHBondContact CA-O 3.07Å; D150-V155 PolarHBondContact N-O 3.01Å; T153-V155 PolarHBondContact O-N 3.47Å; T153-V155 PolarHBondContact OG1-N 3.36Å; V155-Y157 HydrophobicContact CB-CE1 4.39Å; V155-Y157 HydrophobicContact CB-CE2 4Å; V155-Y157 HydrophobicContact CG1-CD1 4.18Å; V155-Y157 HydrophobicContact CG1-CD2 4.48Å; V155-Y157 HydrophobicContact CG1-CE1 3.57Å; V155-Y157 HydrophobicContact CG1-CE2 3.92Å; V155-Y157 VanDerWaalsContact CG1-CZ 3.44Å
156	N	91	Very high	89.3	Confident	86 Å²	86	44.5 Å²	44.5	46%	0.46	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.1	175.3	-165.4	33	0	0	0	109.8	E147 Y148	E147-N156 PolarHBondContact OE2-ND2 3.11Å; E147-N156 VanDerWaalsContact OE2-ND2 3.11Å; Y148-N156 VanDerWaalsContact C-OD1 3.27Å; Y148-N156 CarbonylContact O-C 3.58Å; Y148-N156 WeakPolarHBondContact O-CA 3.31Å; Y148-N156 PolarHBondContact O-OD1 3.26Å
157	Y	88.2	Confident	89.2	Confident	10 Å²	10	44.6 Å²	44.6	4%	0.039	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.1	179.9	-51	-86.8	0	0	0	110.7	L27 E114 F116 E147 Y148 D150 V155	L27-Y157 HydrophobicContact CD1-CD1 4.44Å; E114-Y157 PolarHBondContact OE1-OH 2.99Å; F116-Y157 HydrophobicContact CB-CE1 4.37Å; F116-Y157 HydrophobicContact CB-CE2 3.9Å; F116-Y157 AromaticContact CD1-CD1 3.54Å; F116-Y157 HydrophobicContact CD1-CD1 3.54Å; F116-Y157 HydrophobicContact CD1-CD2 4.17Å; F116-Y157 AromaticContact CD1-CE1 3.4Å; F116-Y157 HydrophobicContact CD1-CE1 3.4Å; F116-Y157 HydrophobicContact CD1-CE2 4.06Å; F116-Y157 AromaticContact CD1-CG 3.92Å; F116-Y157 HydrophobicContact CD1-CG 3.92Å; F116-Y157 AromaticContact CD1-CZ 3.67Å; F116-Y157 HydrophobicContact CD2-CD1 4.38Å; F116-Y157 AromaticContact CD2-CD2 3.57Å; F116-Y157 HydrophobicContact CD2-CD2 3.57Å; F116-Y157 AromaticContact CD2-CE2 3.73Å; F116-Y157 HydrophobicContact CD2-CE2 3.73Å; F116-Y157 AromaticContact CD2-CG 3.91Å; F116-Y157 HydrophobicContact CD2-CG 3.91Å; F116-Y157 AromaticContact CE1-CD1 3.28Å; F116-Y157 HydrophobicContact CE1-CD1 3.28Å; F116-Y157 HydrophobicContact CE1-CD2 4.21Å; F116-Y157 AromaticContact CE1-CE1 3.69Å; F116-Y157 HydrophobicContact CE1-CE1 3.69Å; F116-Y157 AromaticContact CE1-CG 3.57Å; F116-Y157 HydrophobicContact CE1-CG 3.57Å; F116-Y157 HydrophobicContact CE2-CD1 4.16Å; F116-Y157 AromaticContact CE2-CD2 3.59Å; F116-Y157 HydrophobicContact CE2-CD2 3.59Å; F116-Y157 HydrophobicContact CE2-CE2 4.22Å; F116-Y157 AromaticContact CE2-CG 3.54Å; F116-Y157 HydrophobicContact CE2-CG 3.54Å; F116-Y157 HydrophobicContact CG-CD1 4.1Å; F116-Y157 AromaticContact CG-CD2 3.87Å; F116-Y157 HydrophobicContact CG-CD2 3.87Å; F116-Y157 AromaticContact CG-CE1 3.87Å; F116-Y157 HydrophobicContact CG-CE1 3.87Å; F116-Y157 AromaticContact CG-CE2 3.64Å; F116-Y157 HydrophobicContact CG-CE2 3.64Å; F116-Y157 HydrophobicContact CG-CG 4.08Å; F116-Y157 AromaticContact CG-CZ 3.62Å; F116-Y157 VanDerWaalsContact CZ-CB 3.4Å; F116-Y157 AromaticContact CZ-CD1 3.62Å; F116-Y157 HydrophobicContact CZ-CD1 3.62Å; F116-Y157 AromaticContact CZ-CD2 3.93Å; F116-Y157 HydrophobicContact CZ-CD2 3.93Å; F116-Y157 HydrophobicContact CZ-CE1 4.35Å; F116-Y157 AromaticContact CZ-CG 3.36Å; F116-Y157 HydrophobicContact CZ-CG 3.36Å; E147-Y157 CarbonylContact C-O 3.56Å; E147-Y157 VanDerWaalsContact CA-O 3.31Å; E147-Y157 WeakPolarHBondContact CA-O 3.46Å; Y148-Y157 HydrophobicContact CD1-CD2 4.19Å; Y148-Y157 PolarHBondContact N-O 3.12Å; Y148-Y157 WeakPolarHBondContact O-CD2 3.27Å; Y148-Y157 PolarHBondContact O-N 3.48Å; D150-Y157 HydrophobicContact CB-CE2 3.86Å; V155-Y157 HydrophobicContact CB-CE1 4.39Å; V155-Y157 HydrophobicContact CB-CE2 4Å; V155-Y157 HydrophobicContact CG1-CD1 4.18Å; V155-Y157 HydrophobicContact CG1-CD2 4.48Å; V155-Y157 HydrophobicContact CG1-CE1 3.57Å; V155-Y157 HydrophobicContact CG1-CE2 3.92Å; V155-Y157 VanDerWaalsContact CG1-CZ 3.44Å
158	L	91	Very high	89	Confident	63 Å²	63	41.8 Å²	41.8	33%	0.33	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.7	172.7	179.5	62.6	0	0	0	109.8	V42 C145 F146 E147 Q160	V42-L158 VanDerWaalsContact CG2-O 3.31Å; V42-L158 WeakPolarHBondContact CG2-O 3.5Å; C145-L158 HydrophobicContact CB-CD1 4.21Å; F146-L158 CarbonylContact O-C 3.6Å; F146-L158 WeakPolarHBondContact O-CA 3.11Å; E147-L158 HydrophobicContact CG-CD1 3.94Å; L158-Q160 HydrophobicContact CG-CG 4.43Å
159	I	89.9	Confident	89.1	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.3	179.2	-44.5	169.8	0	0	0	107.8	V42 F116 V118 F123 F146 T163	V42-I159 HydrophobicContact CG1-CG1 4.23Å; V42-I159 HydrophobicContact CG1-CG2 4.37Å; F116-I159 HydrophobicContact CE2-CD1 4.24Å; F116-I159 HydrophobicContact CZ-CG1 4.47Å; V118-I159 HydrophobicContact CG1-CD1 4.45Å; V118-I159 HydrophobicContact CG2-CD1 3.79Å; F123-I159 HydrophobicContact CE1-CD1 3.93Å; F123-I159 HydrophobicContact CE1-CG2 4.25Å; F123-I159 HydrophobicContact CZ-CD1 3.94Å; F146-I159 HydrophobicContact CB-CB 4.29Å; F146-I159 PolarHBondContact N-O 3.26Å; F146-I159 PolarHBondContact O-N 3.46Å; I159-T163 HydrophobicContact CG2-CG2 3.89Å
160	Q	90.1	Very high	89	Confident	57 Å²	57	35 Å²	35	27%	0.266	20%	0.204	S	C	.	.			trans	-145.6	-179.9	-174.7	63.3	-176.4	-13.4	0	0	112.8	H144 C145 L158 S164	H144-Q160 VanDerWaalsContact O-CA 3.32Å; H144-Q160 WeakPolarHBondContact O-CA 3.15Å; C145-Q160 HydrophobicContact CB-CB 4.43Å; L158-Q160 HydrophobicContact CG-CG 4.43Å; Q160-S164 VanDerWaalsContact C-OG 3.26Å; Q160-S164 WeakPolarHBondContact CA-OG 3.11Å; Q160-S164 PolarHBondContact O-N 3.07Å
161	G	86.1	Confident	89.1	Confident	25 Å²	25	34.1 Å²	34.1	26%	0.258	20%	0.2	S	C	.	.	H	α-helix	trans	65.8	-138.1	175.5	0	0	0	0	0	113.6	T163 S164 K165	G161-T163 VanDerWaalsContact C-N 3.33Å; G161-T163 PolarHBondContact O-N 2.95Å; G161-S164 PolarHBondContact N-OG 2.84Å; G161-S164 PolarHBondContact O-OG 3.36Å; G161-K165 PolarHBondContact O-N 3.17Å
162	M	83.9	Confident	89.2	Confident	13 Å²	13	30.2 Å²	30.2	6%	0.064	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-37.1	-179.4	-175.6	-167	72.6	0	0	111.7	R4 Y84 F86 V92 S164 K165 L166	R4-M162 HydrophobicContact CG-CE 4.02Å; Y84-M162 HydrophobicContact CD1-CB 4.46Å; Y84-M162 HydrophobicContact CD1-CG 3.79Å; Y84-M162 HydrophobicContact CD1-SD 3.6Å; Y84-M162 VanDerWaalsContact CD1-SD 3.6Å; Y84-M162 HydrophobicContact CD2-CG 4.28Å; Y84-M162 HydrophobicContact CE1-CB 4.34Å; Y84-M162 HydrophobicContact CE1-CG 4.13Å; Y84-M162 HydrophobicContact CE1-SD 4.33Å; Y84-M162 HydrophobicContact CG-CG 3.87Å; Y84-M162 HydrophobicContact CG-SD 3.9Å; F86-M162 HydrophobicContact CD2-SD 4.07Å; F86-M162 HydrophobicContact CE2-CB 4.08Å; F86-M162 HydrophobicContact CE2-SD 4.16Å; V92-M162 HydrophobicContact CB-SD 4.12Å; V92-M162 HydrophobicContact CG1-CE 4.02Å; V92-M162 HydrophobicContact CG1-SD 4.09Å; V92-M162 HydrophobicContact CG2-SD 4.12Å; M162-S164 PolarHBondContact O-N 2.83Å; M162-K165 PolarHBondContact O-N 3.47Å; M162-L166 HydrophobicContact CE-CD1 4.14Å; M162-L166 HydrophobicContact CG-CD1 3.98Å; M162-L166 HydrophobicContact CG-CG 4.26Å; M162-L166 WeakPolarHBondContact O-CG 3.26Å; M162-L166 PolarHBondContact O-N 2.87Å; M162-L166 HydrophobicContact SD-CD1 4.35Å
163	T	87.4	Confident	89.3	Confident	5 Å²	5	26.6 Å²	26.6	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-48.5	179.7	-52.8	0	0	0	0	110.7	V42 F44 I159 G161 K165 L166 A167	V42-T163 HydrophobicContact CG1-CG2 4.43Å; V42-T163 WeakPolarHBondContact O-CB 3.4Å; V42-T163 PolarHBondContact O-OG1 2.71Å; F44-T163 HydrophobicContact CD2-CG2 3.87Å; F44-T163 HydrophobicContact CE2-CG2 3.75Å; F44-T163 HydrophobicContact CZ-CG2 4.47Å; I159-T163 HydrophobicContact CG2-CG2 3.89Å; G161-T163 VanDerWaalsContact C-N 3.33Å; G161-T163 PolarHBondContact O-N 2.95Å; T163-K165 PolarHBondContact O-N 3.17Å; T163-L166 PolarHBondContact O-N 3.49Å; T163-A167 WeakPolarHBondContact O-CB 3.19Å; T163-A167 PolarHBondContact O-N 2.81Å
164	S	90.3	Very high	89.3	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.9	-39.2	178.2	66	0	0	0	0	112.3	H144 Q160 G161 M162 A167 V168	H144-S164 WeakPolarHBondContact O-CB 3.39Å; H144-S164 PolarHBondContact O-OG 2.83Å; Q160-S164 VanDerWaalsContact C-OG 3.26Å; Q160-S164 WeakPolarHBondContact CA-OG 3.11Å; Q160-S164 PolarHBondContact O-N 3.07Å; G161-S164 PolarHBondContact N-OG 2.84Å; G161-S164 PolarHBondContact O-OG 3.36Å; M162-S164 PolarHBondContact O-N 2.83Å; S164-A167 PolarHBondContact O-N 3.22Å; S164-V168 VanDerWaalsContact O-CG2 3.31Å; S164-V168 WeakPolarHBondContact O-CG2 3.47Å; S164-V168 PolarHBondContact O-N 2.79Å
165	K	89.8	Confident	89.1	Confident	24 Å²	24	26.7 Å²	26.7	10%	0.104	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-43.3	177.5	-170.9	163.3	-175.1	156.6	0	112.7	Y84 G161 M162 T163 L169 D184 F185	Y84-K165 HydrophobicContact CE2-CD 4.34Å; G161-K165 PolarHBondContact O-N 3.17Å; M162-K165 PolarHBondContact O-N 3.47Å; T163-K165 PolarHBondContact O-N 3.17Å; K165-L169 WeakPolarHBondContact O-CB 3.47Å; K165-L169 PolarHBondContact O-N 3.18Å; K165-D184 IonicContact NZ-OD2 3.82Å; K165-F185 HydrophobicContact CD-CZ 4.34Å; K165-F185 HydrophobicContact CG-CE1 4.37Å; K165-F185 HydrophobicContact CG-CE2 4.32Å; K165-F185 HydrophobicContact CG-CZ 3.58Å
166	L	88.8	Confident	89.2	Confident	8 Å²	8	32.2 Å²	32.2	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-67.7	-40.9	175.9	-70.5	174.6	0	0	0	111.7	I6 F44 L81 P94 M162 T163 L169 V170	I6-L166 HydrophobicContact CD1-CB 3.99Å; I6-L166 HydrophobicContact CD1-CD1 4.36Å; F44-L166 HydrophobicContact CD2-CD1 4.45Å; F44-L166 HydrophobicContact CE2-CB 3.89Å; F44-L166 HydrophobicContact CE2-CD1 4.41Å; L81-L166 HydrophobicContact CD1-CD2 4.45Å; P94-L166 HydrophobicContact CB-CD1 4.2Å; P94-L166 HydrophobicContact CB-CD2 4.07Å; P94-L166 HydrophobicContact CG-CD1 3.96Å; P94-L166 HydrophobicContact CG-CD2 3.5Å; P94-L166 HydrophobicContact CG-CG 4.4Å; M162-L166 HydrophobicContact CE-CD1 4.14Å; M162-L166 HydrophobicContact CG-CD1 3.98Å; M162-L166 HydrophobicContact CG-CG 4.26Å; M162-L166 WeakPolarHBondContact O-CG 3.26Å; M162-L166 PolarHBondContact O-N 2.87Å; M162-L166 HydrophobicContact SD-CD1 4.35Å; T163-L166 PolarHBondContact O-N 3.49Å; L166-L169 PolarHBondContact O-N 2.91Å; L166-V170 WeakPolarHBondContact O-CG2 3.1Å; L166-V170 PolarHBondContact O-N 3.5Å
167	A	90	Very high	89.1	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-44.6	176.6	0	0	0	0	0	112.1	F44 F123 T163 S164 V170 A171	F44-A167 HydrophobicContact CZ-CB 4.31Å; F123-A167 HydrophobicContact CD1-CB 3.61Å; F123-A167 HydrophobicContact CD2-CB 3.88Å; F123-A167 HydrophobicContact CE1-CB 3.55Å; F123-A167 HydrophobicContact CE2-CB 3.83Å; F123-A167 HydrophobicContact CG-CB 3.77Å; F123-A167 HydrophobicContact CZ-CB 3.66Å; T163-A167 WeakPolarHBondContact O-CB 3.19Å; T163-A167 PolarHBondContact O-N 2.81Å; S164-A167 PolarHBondContact O-N 3.22Å; A167-V170 PolarHBondContact O-N 3.35Å; A167-A171 WeakPolarHBondContact O-CB 3.33Å; A167-A171 PolarHBondContact O-N 3.2Å
168	V	91.8	Very high	89.3	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-47.7	173.5	172.2	0	0	0	0	110.9	F123 F146 S164 V170 A171 L172 F181 I183 F185	F123-V168 HydrophobicContact CB-CG2 4.31Å; F146-V168 HydrophobicContact CE2-CG2 3.74Å; F146-V168 HydrophobicContact CZ-CG2 3.53Å; S164-V168 VanDerWaalsContact O-CG2 3.31Å; S164-V168 WeakPolarHBondContact O-CG2 3.47Å; S164-V168 PolarHBondContact O-N 2.79Å; V168-V170 VanDerWaalsContact C-N 3.31Å; V168-V170 PolarHBondContact O-N 2.96Å; V168-A171 WeakPolarHBondContact O-CB 3.45Å; V168-A171 PolarHBondContact O-N 3.24Å; V168-L172 HydrophobicContact CG1-CD1 3.91Å; V168-L172 HydrophobicContact CG1-CG 4.23Å; V168-L172 VanDerWaalsContact O-CG 3.27Å; V168-L172 WeakPolarHBondContact O-CG 3.48Å; V168-L172 PolarHBondContact O-N 3.45Å; V168-F181 HydrophobicContact CG2-CE2 4.38Å; V168-F181 HydrophobicContact CG2-CZ 4.04Å; V168-I183 HydrophobicContact CG1-CG2 4.11Å; V168-F185 HydrophobicContact CG1-CE2 4.1Å
169	L	91.3	Very high	89.5	Confident	9 Å²	9	34 Å²	34	5%	0.047	18%	0.182	C	C	.	.	H	α-helix	trans	-56.7	-46.6	179.8	178	59.7	0	0	0	111.6	L81 K165 L166 L172 I173 F185 L190	L81-L169 HydrophobicContact CD1-CD2 4.19Å; K165-L169 WeakPolarHBondContact O-CB 3.47Å; K165-L169 PolarHBondContact O-N 3.18Å; L166-L169 PolarHBondContact O-N 2.91Å; L169-L172 PolarHBondContact O-N 3.38Å; L169-I173 HydrophobicContact CD1-CD1 4.02Å; L169-I173 HydrophobicContact CD1-CG1 4.47Å; L169-I173 HydrophobicContact CG-CD1 4.01Å; L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.47Å; L169-I173 PolarHBondContact O-N 2.95Å; L169-I173 VanDerWaalsContact O-N 3.09Å; L169-F185 HydrophobicContact CB-CE2 4.29Å; L169-F185 HydrophobicContact CB-CZ 3.93Å; L169-F185 HydrophobicContact CD1-CE1 4.3Å; L169-F185 HydrophobicContact CD1-CZ 4.4Å; L169-L190 HydrophobicContact CD1-CD1 4.15Å; L169-L190 HydrophobicContact CD1-CD2 3.78Å; L169-L190 HydrophobicContact CD1-CG 3.81Å
170	V	89.4	Confident	89.6	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.024	21%	0.212	C	C	.	.	H	α-helix	trans	-68.5	-38.1	178.9	-179.8	0	0	0	0	111.8	I6 F8 L81 V96 L166 A167 V168 L172 I173 I174	I6-V170 HydrophobicContact CD1-CG2 4.18Å; I6-V170 HydrophobicContact CG2-CG2 4.3Å; F8-V170 HydrophobicContact CD2-CG1 4.23Å; F8-V170 HydrophobicContact CE1-CG1 4.06Å; F8-V170 HydrophobicContact CE2-CB 4.29Å; F8-V170 HydrophobicContact CE2-CG1 3.3Å; F8-V170 HydrophobicContact CZ-CB 3.86Å; F8-V170 HydrophobicContact CZ-CG1 3.18Å; F8-V170 HydrophobicContact CZ-CG2 4.42Å; L81-V170 HydrophobicContact CD1-CG2 3.53Å; V96-V170 HydrophobicContact CG2-CG2 4.23Å; L166-V170 WeakPolarHBondContact O-CG2 3.1Å; L166-V170 PolarHBondContact O-N 3.5Å; A167-V170 PolarHBondContact O-N 3.35Å; V168-V170 VanDerWaalsContact C-N 3.31Å; V168-V170 PolarHBondContact O-N 2.96Å; V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 2.85Å; V170-I173 PolarHBondContact O-N 3.32Å; V170-I174 HydrophobicContact CG1-CD1 3.4Å; V170-I174 HydrophobicContact CG1-CG1 3.94Å; V170-I174 WeakPolarHBondContact O-CB 3.32Å; V170-I174 WeakPolarHBondContact O-CG1 3.43Å; V170-I174 PolarHBondContact O-N 3.44Å
171	A	89.5	Confident	89.8	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-43.6	175	0	0	0	0	0	111.8	L120 F123 L124 A167 V168 I173 L175	L120-A171 HydrophobicContact CD1-CB 3.51Å; L120-A171 HydrophobicContact CG-CB 3.95Å; F123-A171 HydrophobicContact CB-CB 4.06Å; L124-A171 HydrophobicContact CD1-CB 4.24Å; L124-A171 HydrophobicContact CD2-CB 3.77Å; L124-A171 HydrophobicContact CG-CB 3.77Å; A167-A171 WeakPolarHBondContact O-CB 3.33Å; A167-A171 PolarHBondContact O-N 3.2Å; V168-A171 WeakPolarHBondContact O-CB 3.45Å; V168-A171 PolarHBondContact O-N 3.24Å; A171-I173 PolarHBondContact O-N 2.74Å; A171-L175 WeakPolarHBondContact O-CB 3.48Å; A171-L175 WeakPolarHBondContact O-CG 3.46Å; A171-L175 PolarHBondContact O-N 3.21Å
172	L	91.3	Very high	90.1	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.058	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-44.3	175.7	-68.6	171.2	0	0	0	111.8	L124 V168 L169 V170 E176 Q177 P179 I183 F185 L187 L190	L124-L172 HydrophobicContact CD2-CD2 3.67Å; L124-L172 HydrophobicContact CD2-CG 4Å; V168-L172 HydrophobicContact CG1-CD1 3.91Å; V168-L172 HydrophobicContact CG1-CG 4.23Å; V168-L172 VanDerWaalsContact O-CG 3.27Å; V168-L172 WeakPolarHBondContact O-CG 3.48Å; V168-L172 PolarHBondContact O-N 3.45Å; L169-L172 PolarHBondContact O-N 3.38Å; V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 2.85Å; L172-E176 WeakPolarHBondContact O-CA 3.32Å; L172-E176 PolarHBondContact O-N 2.8Å; L172-E176 VanDerWaalsContact O-N 3.17Å; L172-Q177 VanDerWaalsContact CD2-O 3.32Å; L172-Q177 WeakPolarHBondContact CD2-O 3.45Å; L172-P179 HydrophobicContact CD2-CG 4.22Å; L172-I183 HydrophobicContact CD1-CD1 3.77Å; L172-I183 HydrophobicContact CD2-CD1 4.49Å; L172-F185 HydrophobicContact CD1-CD2 3.9Å; L172-F185 HydrophobicContact CD1-CE2 4.46Å; L172-L187 HydrophobicContact CD1-CD2 4.12Å; L172-L187 HydrophobicContact CD2-CD2 3.76Å; L172-L190 HydrophobicContact CB-CD2 4.05Å; L172-L190 HydrophobicContact CD1-CD1 3.9Å
173	I	89.6	Confident	90.4	Very high	65 Å²	65	42 Å²	42	33%	0.333	22%	0.224	S	C	.	.	H	α-helix	trans	-66.7	-46.8	-179.6	-67.9	165.7	0	0	0	111.3	L81 L169 V170 A171 L190 I191	L81-I173 HydrophobicContact CD2-CD1 4.22Å; L169-I173 HydrophobicContact CD1-CD1 4.02Å; L169-I173 HydrophobicContact CD1-CG1 4.47Å; L169-I173 HydrophobicContact CG-CD1 4.01Å; L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.47Å; L169-I173 PolarHBondContact O-N 2.95Å; L169-I173 VanDerWaalsContact O-N 3.09Å; V170-I173 PolarHBondContact O-N 3.32Å; A171-I173 PolarHBondContact O-N 2.74Å; I173-L190 HydrophobicContact CD1-CD2 4.42Å; I173-L190 HydrophobicContact CG1-CD2 3.64Å; I173-I191 HydrophobicContact CD1-CD1 4.09Å
174	I	86.3	Confident	90.3	Very high	74 Å²	74	44.1 Å²	44.1	38%	0.379	24%	0.235	S	C	.	.	H	α-helix	trans	-81.4	-40.7	-171.8	-66.1	-179.3	0	0	0	112	F8 L120 V170	F8-I174 HydrophobicContact CD2-CD1 3.97Å; F8-I174 HydrophobicContact CE2-CD1 4.2Å; F8-I174 HydrophobicContact CG-CD1 4.16Å; L120-I174 HydrophobicContact CD2-CB 3.89Å; L120-I174 HydrophobicContact CD2-CD1 4.02Å; L120-I174 HydrophobicContact CD2-CG2 3.81Å; V170-I174 HydrophobicContact CG1-CD1 3.4Å; V170-I174 HydrophobicContact CG1-CG1 3.94Å; V170-I174 WeakPolarHBondContact O-CB 3.32Å; V170-I174 WeakPolarHBondContact O-CG1 3.43Å; V170-I174 PolarHBondContact O-N 3.44Å
175	L	87.2	Confident	89.9	Confident	47 Å²	47	45.1 Å²	45.1	25%	0.246	24%	0.239	C	C	.	.	H	α-helix	trans	-91.1	-14.3	-173.8	-57.7	-179.4	0	0	0	113.2	L120 D121 L124 A171 Q177	L120-L175 HydrophobicContact CB-CD1 4.12Å; L120-L175 HydrophobicContact CD2-CD1 4.46Å; L120-L175 HydrophobicContact CD2-CD2 4.23Å; L120-L175 HydrophobicContact CD2-CG 4.11Å; L120-L175 HydrophobicContact CG-CD1 3.89Å; L120-L175 HydrophobicContact CG-CD2 4.47Å; L120-L175 HydrophobicContact CG-CG 4.08Å; D121-L175 HydrophobicContact CB-CD1 4.03Å; L124-L175 HydrophobicContact CD1-CB 3.9Å; L124-L175 HydrophobicContact CD1-CD1 3.74Å; L124-L175 HydrophobicContact CD1-CG 4.39Å; L124-L175 HydrophobicContact CG-CD1 4.39Å; A171-L175 WeakPolarHBondContact O-CB 3.48Å; A171-L175 WeakPolarHBondContact O-CG 3.46Å; A171-L175 PolarHBondContact O-N 3.21Å; L175-Q177 HydrophobicContact CB-CB 4.39Å; L175-Q177 WeakPolarHBondContact O-CG 3.44Å; L175-Q177 PolarHBondContact O-N 2.87Å; L175-Q177 VanDerWaalsContact O-N 3.13Å; L175-Q177 PolarHBondContact O-NE2 2.81Å; L175-Q177 VanDerWaalsContact O-NE2 3.16Å
176	E	89.5	Confident	89.7	Confident	171 Å²	171	47.1 Å²	47.1	80%	0.799	25%	0.251	S	S	*	.			trans	49.3	38.5	-179	-60.6	-176.7	-174.9	0	0	112.7	L172	L172-E176 WeakPolarHBondContact O-CA 3.32Å; L172-E176 PolarHBondContact O-N 2.8Å; L172-E176 VanDerWaalsContact O-N 3.17Å
177	Q	90	Very high	89.4	Confident	95 Å²	95	50.4 Å²	50.4	44%	0.444	27%	0.268	S	S	.	.			trans	-121.9	146.3	-175.1	-83.3	166.5	70	0	0	111.2	L124 L172 L175	L124-Q177 HydrophobicContact CD1-CB 3.7Å; L172-Q177 VanDerWaalsContact CD2-O 3.32Å; L172-Q177 WeakPolarHBondContact CD2-O 3.45Å; L175-Q177 HydrophobicContact CB-CB 4.39Å; L175-Q177 WeakPolarHBondContact O-CG 3.44Å; L175-Q177 PolarHBondContact O-N 2.87Å; L175-Q177 VanDerWaalsContact O-N 3.13Å; L175-Q177 PolarHBondContact O-NE2 2.81Å; L175-Q177 VanDerWaalsContact O-NE2 3.16Å
178	S	92	Very high	89.2	Confident	82 Å²	82	59.2 Å²	59.2	57%	0.573	31%	0.309	S	S	*	.			trans	-77.8	136.5	174.8	-63	0	0	0	0	111	H125	H125-S178 PolarHBondContact CE1-O 2.9Å
179	P	94.2	Very high	89	Confident	19 Å²	19	61.9 Å²	61.9	12%	0.123	32%	0.323	C	S	.	.			trans	-73.4	156.9	178.5	29.2	-28.9	0	0	0	111.1	L124 L172 F181 I183	L124-P179 HydrophobicContact CD2-CB 4.09Å; L124-P179 CarbonylContact O-C 3.57Å; L124-P179 WeakPolarHBondContact O-CA 3.25Å; L172-P179 HydrophobicContact CD2-CG 4.22Å; P179-F181 HydrophobicContact CB-CD1 4.16Å; P179-F181 HydrophobicContact CB-CD2 4.28Å; P179-F181 HydrophobicContact CB-CE1 3.86Å; P179-F181 HydrophobicContact CB-CE2 4.01Å; P179-F181 HydrophobicContact CB-CG 4.35Å; P179-F181 HydrophobicContact CB-CZ 3.77Å; P179-F181 PolarHBondContact O-N 3.38Å; P179-F181 VanDerWaalsContact O-N 3.17Å; P179-I183 HydrophobicContact CB-CG2 4.49Å; P179-I183 HydrophobicContact CG-CD1 4.08Å; P179-I183 HydrophobicContact CG-CG1 4.36Å; P179-I183 HydrophobicContact CG-CG2 3.74Å
180	A	93.9	Very high	88.9	Confident	78 Å²	78	62.8 Å²	62.8	65%	0.645	33%	0.328	S	S	*	.	S	Bend	trans	-75.3	7.1	175.7	0	0	0	0	0	113.9	L124	L124-A180 PolarHBondContact O-N 3.46Å
181	F	94.3	Very high	88.7	Confident	26 Å²	26	66 Å²	66	11%	0.114	34%	0.344	C	S	.	.	S	Bend	trans	-142.1	165.9	-174.6	53.2	-95.2	0	0	0	111.2	F123 P126 Y129 H144 F146 V168 P179 I183	F123-F181 WeakPolarHBondContact O-CE1 3.49Å; F123-F181 WeakPolarHBondContact O-CZ 3.41Å; P126-F181 HydrophobicContact CG-CD1 4.2Å; P126-F181 HydrophobicContact CG-CE1 4.1Å; Y129-F181 HydrophobicContact CD1-CB 4.02Å; Y129-F181 HydrophobicContact CD1-CD1 4.18Å; Y129-F181 HydrophobicContact CD1-CG 4.16Å; Y129-F181 HydrophobicContact CD2-CD1 4.45Å; Y129-F181 HydrophobicContact CE1-CB 3.3Å; Y129-F181 HydrophobicContact CE1-CD1 4.03Å; Y129-F181 HydrophobicContact CE1-CD2 4.11Å; Y129-F181 AromaticContact CE1-CG 3.55Å; Y129-F181 HydrophobicContact CE1-CG 3.55Å; Y129-F181 HydrophobicContact CE2-CD1 4.28Å; Y129-F181 HydrophobicContact CE2-CD2 4.06Å; Y129-F181 HydrophobicContact CE2-CE1 4.46Å; Y129-F181 HydrophobicContact CE2-CE2 4.24Å; Y129-F181 HydrophobicContact CE2-CG 4.09Å; Y129-F181 HydrophobicContact CE2-CZ 4.45Å; Y129-F181 HydrophobicContact CG-CD1 4.39Å; Y129-F181 AromaticContact CZ-CD2 3.56Å; Y129-F181 AromaticContact CZ-CG 3.49Å; Y129-F181 VanDerWaalsContact CZ-CG 3.49Å; Y129-F181 VanDerWaalsContact OH-CD2 3.26Å; Y129-F181 WeakPolarHBondContact OH-CD2 3.33Å; H144-F181 AromaticContact CE1-CD2 3.88Å; H144-F181 AromaticContact CE1-CE2 3.68Å; H144-F181 AromaticContact ND1-CD2 3.87Å; H144-F181 AromaticContact ND1-CE2 3.66Å; F146-F181 AromaticContact CE1-CE1 3.85Å; F146-F181 HydrophobicContact CE1-CE1 3.85Å; F146-F181 AromaticContact CE1-CZ 3.93Å; F146-F181 HydrophobicContact CE1-CZ 3.93Å; F146-F181 HydrophobicContact CZ-CE1 4.06Å; F146-F181 HydrophobicContact CZ-CE2 4.34Å; F146-F181 AromaticContact CZ-CZ 3.64Å; F146-F181 HydrophobicContact CZ-CZ 3.64Å; V168-F181 HydrophobicContact CG2-CE2 4.38Å; V168-F181 HydrophobicContact CG2-CZ 4.04Å; P179-F181 HydrophobicContact CB-CD1 4.16Å; P179-F181 HydrophobicContact CB-CD2 4.28Å; P179-F181 HydrophobicContact CB-CE1 3.86Å; P179-F181 HydrophobicContact CB-CE2 4.01Å; P179-F181 HydrophobicContact CB-CG 4.35Å; P179-F181 HydrophobicContact CB-CZ 3.77Å; P179-F181 PolarHBondContact O-N 3.38Å; P179-F181 VanDerWaalsContact O-N 3.17Å; F181-I183 HydrophobicContact CD2-CG2 3.88Å; F181-I183 HydrophobicContact CE2-CG2 3.54Å
182	K	91.8	Very high	88.8	Confident	145 Å²	145	68.1 Å²	68.1	63%	0.63	36%	0.358	S	S	*	.			trans	-72.8	136.5	176.8	-172.3	-179.4	177.4	-173.3	0	110.3	I142 H144	I142-K182 HydrophobicContact CD1-CB 4.22Å; I142-K182 HydrophobicContact CD1-CD 3.98Å; I142-K182 HydrophobicContact CD1-CG 3.87Å; H144-K182 PolarHBondContact CE1-O 2.94Å
183	I	90.2	Very high	88.8	Confident	19 Å²	19	68.3 Å²	68.3	10%	0.097	36%	0.36	C	S	.	.			trans	-118.9	159.7	175.2	54	173.3	0	0	0	111	V168 L172 P179 F181 F185 L187	V168-I183 HydrophobicContact CG1-CG2 4.11Å; L172-I183 HydrophobicContact CD1-CD1 3.77Å; L172-I183 HydrophobicContact CD2-CD1 4.49Å; P179-I183 HydrophobicContact CB-CG2 4.49Å; P179-I183 HydrophobicContact CG-CD1 4.08Å; P179-I183 HydrophobicContact CG-CG1 4.36Å; P179-I183 HydrophobicContact CG-CG2 3.74Å; F181-I183 HydrophobicContact CD2-CG2 3.88Å; F181-I183 HydrophobicContact CE2-CG2 3.54Å; I183-F185 VanDerWaalsContact C-N 3.33Å; I183-F185 HydrophobicContact CB-CD2 4.23Å; I183-F185 HydrophobicContact CD1-CB 4.14Å; I183-F185 HydrophobicContact CD1-CD2 4.25Å; I183-L187 HydrophobicContact CD1-CD1 4.24Å; I183-L187 HydrophobicContact CD1-CD2 3.42Å; I183-L187 VanDerWaalsContact CD1-CD2 3.42Å; I183-L187 HydrophobicContact CD1-CG 3.72Å
184	D	84.5	Confident	88.7	Confident	49 Å²	49	65.8 Å²	65.8	26%	0.262	35%	0.348	S	S	.	.	S	Bend	trans	-82.7	-12.2	173.5	-72.9	-15.7	0	0	0	113.1	F141 I142 K165	F141-D184 WeakPolarHBondContact CA-OD2 3.45Å; I142-D184 WeakPolarHBondContact CB-OD1 3.11Å; I142-D184 VanDerWaalsContact CD1-OD1 3.31Å; I142-D184 WeakPolarHBondContact CD1-OD1 3.45Å; I142-D184 WeakPolarHBondContact CG1-OD1 3.39Å; I142-D184 PolarHBondContact N-OD1 2.93Å; I142-D184 PolarHBondContact N-OD2 2.91Å; K165-D184 IonicContact NZ-OD2 3.82Å
185	F	82.5	Confident	89	Confident	21 Å²	21	66.6 Å²	66.6	9%	0.092	35%	0.35	C	S	.	.	S	Bend	trans	-81.1	148.9	179.9	-48.2	-73.9	0	0	0	111.3	K165 V168 L169 L172 I183 L187 L190 C194	K165-F185 HydrophobicContact CD-CZ 4.34Å; K165-F185 HydrophobicContact CG-CE1 4.37Å; K165-F185 HydrophobicContact CG-CE2 4.32Å; K165-F185 HydrophobicContact CG-CZ 3.58Å; V168-F185 HydrophobicContact CG1-CE2 4.1Å; L169-F185 HydrophobicContact CB-CE2 4.29Å; L169-F185 HydrophobicContact CB-CZ 3.93Å; L169-F185 HydrophobicContact CD1-CE1 4.3Å; L169-F185 HydrophobicContact CD1-CZ 4.4Å; L172-F185 HydrophobicContact CD1-CD2 3.9Å; L172-F185 HydrophobicContact CD1-CE2 4.46Å; I183-F185 VanDerWaalsContact C-N 3.33Å; I183-F185 HydrophobicContact CB-CD2 4.23Å; I183-F185 HydrophobicContact CD1-CB 4.14Å; I183-F185 HydrophobicContact CD1-CD2 4.25Å; F185-L187 PolarHBondContact O-N 3.03Å; F185-L190 HydrophobicContact CB-CD1 3.49Å; F185-L190 VanDerWaalsContact CB-CD1 3.49Å; F185-L190 HydrophobicContact CG-CD1 4.01Å; F185-C194 VanDerWaalsContact CD1-SG 3.51Å; F185-C194 VanDerWaalsContact CE1-SG 3.55Å
186	D	85.6	Confident	89.2	Confident	66 Å²	66	70.1 Å²	70.1	35%	0.353	36%	0.36	S	S	.	.			trans	-82.9	110.7	167.9	-170.6	-23.7	0	0	0	108.3	H188 D189 L190 S193	D186-H188 PolarHBondContact O-N 2.88Å; D186-H188 PolarHBondContact OD1-N 2.78Å; D186-D189 HydrophobicContact CB-CB 4.21Å; D186-D189 CarbonylContact O-C 3.54Å; D186-D189 PolarHBondContact O-N 3.39Å; D186-D189 VanDerWaalsContact O-N 3.12Å; D186-D189 PolarHBondContact OD1-N 3.26Å; D186-L190 WeakPolarHBondContact O-CA 3.5Å; D186-L190 PolarHBondContact O-N 2.84Å; D186-S193 PolarHBondContact N-OG 2.9Å
187	L	82.8	Confident	89.1	Confident	77 Å²	77	63.6 Å²	63.6	40%	0.403	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.6	-179.3	-72.1	175.5	0	0	0	113.1	L172 I183 F185	L172-L187 HydrophobicContact CD1-CD2 4.12Å; L172-L187 HydrophobicContact CD2-CD2 3.76Å; I183-L187 HydrophobicContact CD1-CD1 4.24Å; I183-L187 HydrophobicContact CD1-CD2 3.42Å; I183-L187 VanDerWaalsContact CD1-CD2 3.42Å; I183-L187 HydrophobicContact CD1-CG 3.72Å; F185-L187 PolarHBondContact O-N 3.03Å
188	H	84.8	Confident	89.1	Confident	186 Å²	186	61 Å²	61	86%	0.861	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-12.4	178.7	-61.1	-64.9	0	0	0	112.4	D186	D186-H188 PolarHBondContact O-N 2.88Å; D186-H188 PolarHBondContact OD1-N 2.78Å
189	D	89.3	Confident	89.1	Confident	56 Å²	56	62.3 Å²	62.3	30%	0.299	32%	0.319	S	S	.	.	S	Bend	trans	-147.2	51.3	-174.8	-167.7	36.1	0	0	0	111	D186 I191 P192 S193 R196	D186-D189 HydrophobicContact CB-CB 4.21Å; D186-D189 CarbonylContact O-C 3.54Å; D186-D189 PolarHBondContact O-N 3.39Å; D186-D189 VanDerWaalsContact O-N 3.12Å; D186-D189 PolarHBondContact OD1-N 3.26Å; D189-I191 PolarHBondContact O-N 2.84Å; D189-P192 WeakPolarHBondContact O-CD 3.39Å; D189-P192 WeakPolarHBondContact OD1-CB 3.26Å; D189-P192 VanDerWaalsContact OD1-CD 3.23Å; D189-P192 WeakPolarHBondContact OD1-CD 3.47Å; D189-P192 WeakPolarHBondContact OD1-CG 3.09Å; D189-P192 WeakPolarHBondContact OD2-CB 3.18Å; D189-S193 WeakPolarHBondContact O-CB 3.46Å; D189-S193 PolarHBondContact O-N 3.01Å; D189-R196 IonicContact OD2-CZ 2.81Å; D189-R196 VanDerWaalsContact OD2-CZ 3.27Å; D189-R196 IonicContact OD2-NH1 2.77Å; D189-R196 PolarHBondContact OD2-NH1 2.96Å; D189-R196 IonicContact OD2-NH2 2.86Å; D189-R196 PolarHBondContact OD2-NH2 2.86Å
190	L	87.5	Confident	88.9	Confident	27 Å²	27	63.3 Å²	63.3	14%	0.141	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-52.9	-163.7	-168.8	74.4	0	0	0	113.2	L169 L172 I173 F185 D186 C194	L169-L190 HydrophobicContact CD1-CD1 4.15Å; L169-L190 HydrophobicContact CD1-CD2 3.78Å; L169-L190 HydrophobicContact CD1-CG 3.81Å; L172-L190 HydrophobicContact CB-CD2 4.05Å; L172-L190 HydrophobicContact CD1-CD1 3.9Å; I173-L190 HydrophobicContact CD1-CD2 4.42Å; I173-L190 HydrophobicContact CG1-CD2 3.64Å; F185-L190 HydrophobicContact CB-CD1 3.49Å; F185-L190 VanDerWaalsContact CB-CD1 3.49Å; F185-L190 HydrophobicContact CG-CD1 4.01Å; D186-L190 WeakPolarHBondContact O-CA 3.5Å; D186-L190 PolarHBondContact O-N 2.84Å; L190-C194 PolarHBondContact O-N 2.77Å; L190-C194 VanDerWaalsContact O-N 3.12Å; L190-C194 PolarHBondContact O-SG 3.43Å
191	I	86.6	Confident	88.6	Confident	73 Å²	73	60.5 Å²	60.5	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-67.3	-50.9	-178	-58.6	-59.3	0	0	0	110.9	V82 I173 D189 S193 C194 E195	V82-I191 HydrophobicContact CG2-CG2 4.4Å; I173-I191 HydrophobicContact CD1-CD1 4.09Å; D189-I191 PolarHBondContact O-N 2.84Å; I191-S193 VanDerWaalsContact C-N 3.26Å; I191-S193 PolarHBondContact O-N 3.35Å; I191-C194 WeakPolarHBondContact O-CA 3.38Å; I191-C194 VanDerWaalsContact O-CB 3.32Å; I191-C194 WeakPolarHBondContact O-CB 3.47Å; I191-C194 PolarHBondContact O-N 3.04Å; I191-E195 PolarHBondContact O-N 3.09Å
192	P	91.3	Very high	88.4	Confident	44 Å²	44	63.4 Å²	63.4	29%	0.286	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-28.2	179.6	-25.1	39.3	0	0	0	113.2	D189 E195 R196	D189-P192 WeakPolarHBondContact O-CD 3.39Å; D189-P192 WeakPolarHBondContact OD1-CB 3.26Å; D189-P192 VanDerWaalsContact OD1-CD 3.23Å; D189-P192 WeakPolarHBondContact OD1-CD 3.47Å; D189-P192 WeakPolarHBondContact OD1-CG 3.09Å; D189-P192 WeakPolarHBondContact OD2-CB 3.18Å; P192-E195 PolarHBondContact O-N 3.27Å; P192-R196 WeakPolarHBondContact O-CG 3.3Å; P192-R196 PolarHBondContact O-N 2.77Å
193	S	89.9	Confident	88.3	Confident	14 Å²	14	60.7 Å²	60.7	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-64.1	-40.5	170.5	-174.7	0	0	0	0	112.4	D186 D189 I191 T197	D186-S193 PolarHBondContact N-OG 2.9Å; D189-S193 WeakPolarHBondContact O-CB 3.46Å; D189-S193 PolarHBondContact O-N 3.01Å; I191-S193 VanDerWaalsContact C-N 3.26Å; I191-S193 PolarHBondContact O-N 3.35Å; S193-T197 PolarHBondContact O-N 3.44Å; S193-T197 VanDerWaalsContact O-N 3.09Å; S193-T197 PolarHBondContact O-OG1 3.5Å
194	C	89.3	Confident	88.1	Confident	12 Å²	12	64.1 Å²	64.1	8%	0.081	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-45.2	171.8	-64.9	0	0	0	0	111.6	V82 F185 L190 I191 R196 T197 F198	V82-C194 HydrophobicContact CB-CB 4.11Å; V82-C194 HydrophobicContact CG1-CB 4.42Å; V82-C194 HydrophobicContact CG2-CB 3.89Å; F185-C194 VanDerWaalsContact CD1-SG 3.51Å; F185-C194 VanDerWaalsContact CE1-SG 3.55Å; L190-C194 PolarHBondContact O-N 2.77Å; L190-C194 VanDerWaalsContact O-N 3.12Å; L190-C194 PolarHBondContact O-SG 3.43Å; I191-C194 WeakPolarHBondContact O-CA 3.38Å; I191-C194 VanDerWaalsContact O-CB 3.32Å; I191-C194 WeakPolarHBondContact O-CB 3.47Å; I191-C194 PolarHBondContact O-N 3.04Å; C194-R196 PolarHBondContact O-N 3.26Å; C194-T197 WeakPolarHBondContact O-CB 3.34Å; C194-T197 PolarHBondContact O-N 3.5Å; C194-F198 WeakPolarHBondContact O-CB 3.39Å; C194-F198 PolarHBondContact O-N 2.78Å
195	E	91.5	Very high	88.1	Confident	92 Å²	92	62.7 Å²	62.7	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-61.3	-44.5	178.1	-67.6	177.2	167	0	0	112.2	V82 I191 P192 T197 F198 L199	V82-E195 HydrophobicContact CG1-CG 4.34Å; V82-E195 HydrophobicContact CG2-CG 3.77Å; I191-E195 PolarHBondContact O-N 3.09Å; P192-E195 PolarHBondContact O-N 3.27Å; E195-T197 VanDerWaalsContact C-N 3.29Å; E195-T197 PolarHBondContact O-N 3.05Å; E195-F198 WeakPolarHBondContact O-CB 3.37Å; E195-F198 PolarHBondContact O-N 3.02Å; E195-L199 WeakPolarHBondContact O-CB 3.36Å; E195-L199 WeakPolarHBondContact O-CG 3.47Å; E195-L199 PolarHBondContact O-N 3.09Å
196	R	91.3	Very high	88.2	Confident	120 Å²	120	70.8 Å²	70.8	45%	0.453	35%	0.35	S	S	.	.	H	α-helix	trans	-59.8	-41	175	-74.1	-175.1	-64.3	-93.9	9	111.9	D189 P192 C194 W200	D189-R196 IonicContact OD2-CZ 2.81Å; D189-R196 VanDerWaalsContact OD2-CZ 3.27Å; D189-R196 IonicContact OD2-NH1 2.77Å; D189-R196 PolarHBondContact OD2-NH1 2.96Å; D189-R196 IonicContact OD2-NH2 2.86Å; D189-R196 PolarHBondContact OD2-NH2 2.86Å; P192-R196 WeakPolarHBondContact O-CG 3.3Å; P192-R196 PolarHBondContact O-N 2.77Å; C194-R196 PolarHBondContact O-N 3.26Å; R196-W200 WeakPolarHBondContact O-CB 3.5Å; R196-W200 PolarHBondContact O-N 2.68Å
197	T	87.7	Confident	87.9	Confident	34 Å²	34	72.6 Å²	72.6	21%	0.209	36%	0.359	C	S	.	.	H	α-helix	trans	-66	-43	177.3	-59.4	0	0	0	0	111	F141 S193 C194 E195 R201	F141-T197 HydrophobicContact CE1-CG2 4.25Å; S193-T197 PolarHBondContact O-N 3.44Å; S193-T197 VanDerWaalsContact O-N 3.09Å; S193-T197 PolarHBondContact O-OG1 3.5Å; C194-T197 WeakPolarHBondContact O-CB 3.34Å; C194-T197 PolarHBondContact O-N 3.5Å; E195-T197 VanDerWaalsContact C-N 3.29Å; E195-T197 PolarHBondContact O-N 3.05Å; T197-R201 WeakPolarHBondContact O-CG 3.23Å; T197-R201 PolarHBondContact O-N 3.21Å
198	F	90.3	Very high	88.2	Confident	42 Å²	42	72.4 Å²	72.4	18%	0.184	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-54.4	175.6	164.6	-110.2	0	0	0	111.6	V82 P83 V85 L91 C194 E195 W200 R201 Y202	V82-F198 HydrophobicContact CG1-CB 3.54Å; V82-F198 HydrophobicContact CG1-CD1 4.24Å; V82-F198 HydrophobicContact CG1-CG 3.94Å; P83-F198 HydrophobicContact CB-CD2 4.24Å; P83-F198 HydrophobicContact CB-CE2 3.96Å; P83-F198 HydrophobicContact CB-CZ 4.43Å; P83-F198 WeakPolarHBondContact O-CD2 3.31Å; V85-F198 HydrophobicContact CG2-CD2 3.88Å; V85-F198 HydrophobicContact CG2-CE2 3.67Å; L91-F198 HydrophobicContact CD1-CE2 3.55Å; L91-F198 HydrophobicContact CD1-CZ 4.2Å; C194-F198 WeakPolarHBondContact O-CB 3.39Å; C194-F198 PolarHBondContact O-N 2.78Å; E195-F198 WeakPolarHBondContact O-CB 3.37Å; E195-F198 PolarHBondContact O-N 3.02Å; F198-W200 VanDerWaalsContact C-N 3.25Å; F198-W200 PolarHBondContact O-N 3.17Å; F198-R201 PolarHBondContact O-N 2.71Å; F198-R201 VanDerWaalsContact O-N 3.09Å; F198-Y202 HydrophobicContact CE2-CD2 4.16Å; F198-Y202 HydrophobicContact CE2-CG 4.44Å; F198-Y202 HydrophobicContact CZ-CD2 4.09Å; F198-Y202 HydrophobicContact CZ-CG 4.24Å; F198-Y202 WeakPolarHBondContact O-CB 3.21Å; F198-Y202 PolarHBondContact O-N 3.48Å
199	L	91.6	Very high	88.4	Confident	108 Å²	108	66.4 Å²	66.4	57%	0.565	33%	0.331	S	S	*	.	H	α-helix	trans	-57.8	-39.5	-179.9	-71.1	173.4	0	0	0	111.8	E195 Y202 S203	E195-L199 WeakPolarHBondContact O-CB 3.36Å; E195-L199 WeakPolarHBondContact O-CG 3.47Å; E195-L199 PolarHBondContact O-N 3.09Å; L199-Y202 PolarHBondContact O-N 3.01Å; L199-S203 WeakPolarHBondContact O-CB 3.15Å; L199-S203 PolarHBondContact O-N 2.91Å; L199-S203 PolarHBondContact O-OG 3.14Å
200	W	90.1	Very high	88.3	Confident	40 Å²	40	66.9 Å²	66.9	15%	0.152	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-49.6	174.6	176.3	75.8	0	0	0	111.8	Q136 R139 F141 R196 F198 Y202 S203 L204	Q136-W200 WeakPolarHBondContact O-CH2 3.49Å; R139-W200 HydrophobicContact CB-CH2 3.93Å; R139-W200 HydrophobicContact CB-CZ2 3.98Å; R139-W200 VanDerWaalsContact CD-CE2 3.47Å; R139-W200 VanDerWaalsContact CD-CZ2 3.46Å; R139-W200 HydrophobicContact CG-CH2 4.09Å; R139-W200 HydrophobicContact CG-CZ2 3.62Å; R139-W200 VanDerWaalsContact CZ-CG 3.49Å; R139-W200 VanDerWaalsContact CZ-NE1 3.34Å; R139-W200 VanDerWaalsContact NH2-CD1 3.33Å; F141-W200 HydrophobicContact CE1-CZ3 4.41Å; F141-W200 AromaticContact CE2-CH2 3.78Å; F141-W200 HydrophobicContact CE2-CH2 3.78Å; F141-W200 AromaticContact CE2-CZ3 3.67Å; F141-W200 HydrophobicContact CE2-CZ3 3.67Å; F141-W200 AromaticContact CZ-CE3 3.95Å; F141-W200 HydrophobicContact CZ-CE3 3.95Å; F141-W200 AromaticContact CZ-CH2 3.76Å; F141-W200 HydrophobicContact CZ-CH2 3.76Å; F141-W200 AromaticContact CZ-CZ3 3.26Å; F141-W200 HydrophobicContact CZ-CZ3 3.26Å; R196-W200 WeakPolarHBondContact O-CB 3.5Å; R196-W200 PolarHBondContact O-N 2.68Å; F198-W200 VanDerWaalsContact C-N 3.25Å; F198-W200 PolarHBondContact O-N 3.17Å; W200-Y202 VanDerWaalsContact C-N 3.32Å; W200-Y202 PolarHBondContact O-N 3.27Å; W200-S203 PolarHBondContact O-N 2.82Å; W200-S203 PolarHBondContact O-OG 2.82Å; W200-L204 HydrophobicContact CD2-CD1 4.01Å; W200-L204 VanDerWaalsContact CE2-CD1 3.48Å; W200-L204 HydrophobicContact CE3-CD1 4.27Å; W200-L204 HydrophobicContact CH2-CD1 3.62Å; W200-L204 HydrophobicContact CZ2-CD1 3.32Å; W200-L204 HydrophobicContact CZ3-CD1 4.05Å; W200-L204 WeakPolarHBondContact O-CG 3.33Å; W200-L204 PolarHBondContact O-N 2.79Å
201	R	88.4	Confident	88.4	Confident	19 Å²	19	69.3 Å²	69.3	7%	0.072	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-40.9	177.1	-71.1	-174.7	167.6	-98.4	-11.8	111.8	V85 D87 Q136 T197 F198 S203 L204 S205	V85-R201 HydrophobicContact CB-CB 3.85Å; V85-R201 HydrophobicContact CG1-CB 4.41Å; V85-R201 HydrophobicContact CG2-CB 4.33Å; D87-R201 IonicContact OD1-NH1 3.52Å; Q136-R201 VanDerWaalsContact OE1-CZ 3.27Å; T197-R201 WeakPolarHBondContact O-CG 3.23Å; T197-R201 PolarHBondContact O-N 3.21Å; F198-R201 PolarHBondContact O-N 2.71Å; F198-R201 VanDerWaalsContact O-N 3.09Å; R201-S203 VanDerWaalsContact C-N 3.34Å; R201-S203 PolarHBondContact O-N 3.47Å; R201-L204 PolarHBondContact O-N 3.44Å; R201-L204 VanDerWaalsContact O-N 3.15Å; R201-S205 PolarHBondContact O-N 3.07Å; R201-S205 VanDerWaalsContact O-N 3.14Å
202	Y	89.1	Confident	88.5	Confident	88 Å²	88	69.1 Å²	69.1	35%	0.345	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-42.9	177.3	-168.7	-99.4	0	0	0	111.2	V85 F198 L199 W200 L204 S205 L207	V85-Y202 HydrophobicContact CG2-CD2 4.13Å; F198-Y202 HydrophobicContact CE2-CD2 4.16Å; F198-Y202 HydrophobicContact CE2-CG 4.44Å; F198-Y202 HydrophobicContact CZ-CD2 4.09Å; F198-Y202 HydrophobicContact CZ-CG 4.24Å; F198-Y202 WeakPolarHBondContact O-CB 3.21Å; F198-Y202 PolarHBondContact O-N 3.48Å; L199-Y202 PolarHBondContact O-N 3.01Å; W200-Y202 VanDerWaalsContact C-N 3.32Å; W200-Y202 PolarHBondContact O-N 3.27Å; Y202-L204 PolarHBondContact O-N 3.15Å; Y202-L204 VanDerWaalsContact O-N 3.17Å; Y202-S205 WeakPolarHBondContact O-CB 3.47Å; Y202-S205 PolarHBondContact O-N 3.32Å; Y202-S205 PolarHBondContact O-OG 2.79Å; Y202-L207 HydrophobicContact CD2-CB 4.22Å; Y202-L207 HydrophobicContact CD2-CD1 4.39Å; Y202-L207 HydrophobicContact CE2-CB 3.54Å; Y202-L207 HydrophobicContact CE2-CD1 4.22Å; Y202-L207 PolarHBondContact OH-OXT 2.65Å
203	S	90.1	Very high	88.3	Confident	87 Å²	87	70.7 Å²	70.7	61%	0.608	35%	0.345	S	S	*	.	H	α-helix	trans	-63.1	-21.4	176.4	75.6	0	0	0	0	114.6	L199 W200 R201	L199-S203 WeakPolarHBondContact O-CB 3.15Å; L199-S203 PolarHBondContact O-N 2.91Å; L199-S203 PolarHBondContact O-OG 3.14Å; W200-S203 PolarHBondContact O-N 2.82Å; W200-S203 PolarHBondContact O-OG 2.82Å; R201-S203 VanDerWaalsContact C-N 3.34Å; R201-S203 PolarHBondContact O-N 3.47Å
204	L	86.3	Confident	88.2	Confident	92 Å²	92	74.8 Å²	74.8	48%	0.482	36%	0.363	S	S	.	.	H	α-helix	trans	-93.2	-13.7	176	-64.1	178.6	0	0	0	113	W200 R201 Y202	W200-L204 HydrophobicContact CD2-CD1 4.01Å; W200-L204 VanDerWaalsContact CE2-CD1 3.48Å; W200-L204 HydrophobicContact CE3-CD1 4.27Å; W200-L204 HydrophobicContact CH2-CD1 3.62Å; W200-L204 HydrophobicContact CZ2-CD1 3.32Å; W200-L204 HydrophobicContact CZ3-CD1 4.05Å; W200-L204 WeakPolarHBondContact O-CG 3.33Å; W200-L204 PolarHBondContact O-N 2.79Å; R201-L204 PolarHBondContact O-N 3.44Å; R201-L204 VanDerWaalsContact O-N 3.15Å; Y202-L204 PolarHBondContact O-N 3.15Å; Y202-L204 VanDerWaalsContact O-N 3.17Å
205	S	85.1	Confident	88.1	Confident	19 Å²	19	79.6 Å²	79.6	13%	0.133	39%	0.385	C	S	.	.	S	Bend	trans	-84.9	166.2	-178.3	75.7	0	0	0	0	111.8	D89 R201 Y202 L207	D89-S205 WeakPolarHBondContact OD1-CA 3.48Å; D89-S205 VanDerWaalsContact OD1-CB 3.23Å; D89-S205 WeakPolarHBondContact OD1-CB 3.43Å; R201-S205 PolarHBondContact O-N 3.07Å; R201-S205 VanDerWaalsContact O-N 3.14Å; Y202-S205 WeakPolarHBondContact O-CB 3.47Å; Y202-S205 PolarHBondContact O-N 3.32Å; Y202-S205 PolarHBondContact O-OG 2.79Å; S205-L207 VanDerWaalsContact C-N 3.3Å; S205-L207 WeakPolarHBondContact OG-CB 3.37Å; S205-L207 PolarHBondContact OG-N 2.85Å
206	K	83.6	Confident	87.8	Confident	190 Å²	190	78.6 Å²	78.6	83%	0.826	38%	0.381	S	S	*	.			trans	-92.2	14.1	172.8	-60.3	178.4	-177.8	172.5	0	113.4	D89	D89-K206 PolarHBondContact OD1-N 2.91Å
207	L	79.8	Confident	87.5	Confident	104 Å²	104	74.8 Å²	74.8	55%	0.545	38%	0.375	S	S	.	.			trans	-79.6	0	179.2	-73.2	169.8	0	0	0	113.6	V85 D89 L91 Y202 S205	V85-L207 HydrophobicContact CG1-CD1 4.31Å; D89-L207 HydrophobicContact CB-CG 4.28Å; D89-L207 WeakPolarHBondContact O-CD1 2.9Å; D89-L207 WeakPolarHBondContact O-CD2 3.42Å; D89-L207 VanDerWaalsContact O-CG 3.3Å; D89-L207 WeakPolarHBondContact O-CG 3.45Å; L91-L207 HydrophobicContact CB-CD1 4.01Å; Y202-L207 HydrophobicContact CD2-CB 4.22Å; Y202-L207 HydrophobicContact CD2-CD1 4.39Å; Y202-L207 HydrophobicContact CE2-CB 3.54Å; Y202-L207 HydrophobicContact CE2-CD1 4.22Å; Y202-L207 PolarHBondContact OH-OXT 2.65Å; S205-L207 VanDerWaalsContact C-N 3.3Å; S205-L207 WeakPolarHBondContact OG-CB 3.37Å; S205-L207 PolarHBondContact OG-N 2.85Å

Retrieved 207 of 207 residues in 354.3 ms (Link to these results)

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