A0A096LVH4_POEFO Loading...

DNA excision repair protein ERCC-8

Substrate-recognition component of the CSA complex, a DCX (DDB1-CUL4-X-box) E3 ubiquitin-protein ligase complex, involved in transcription-coupled nucleotide excision repair (TC-NER), a process during which RNA polymerase II-blocking lesions are rapidly removed from the transcribed strand of active genes. Following recruitment to lesion-stalled RNA polymerase II (Pol II), the CSA complex mediates ubiquitination of Pol II subunit POLR2A/RPB1 at 'Lys-1268', a critical TC-NER checkpoint, governing RNA Pol II stability and initiating DNA damage excision by TFIIH recruitment. The CSA complex also promotes the ubiquitination and subsequent proteasomal degradation of ERCC6/CSB in a UV-dependent manner; ERCC6 degradation is essential for the recovery of RNA synthesis after transcription-coupled repair. Also plays a role in DNA double-strand breaks (DSSBs) repair by non-homologous end joining (NHEJ).

AlphaFold DB , UniProt , Accession A0A096LVH4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 402 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	82.4	Confident	88.7	Confident	132 Å²	132	84.5 Å²	84.5	65%	0.65	50%	0.495	S	S	*	.				0	-49.9	0	-164.1	56	-168.5	0	0	112.7	G3 F4 L5	M1-G3 PolarHBondContact O-N 2.99Å; M1-F4 HydrophobicContact CE-CD1 3.79Å; M1-F4 HydrophobicContact CE-CE1 4.03Å; M1-F4 WeakPolarHBondContact O-CB 3.24Å; M1-F4 PolarHBondContact O-N 3.2Å; M1-F4 VanDerWaalsContact O-N 3.12Å; M1-F4 HydrophobicContact SD-CD1 4.13Å; M1-L5 HydrophobicContact CE-CD1 4.44Å; M1-L5 HydrophobicContact CE-CD2 4.17Å; M1-L5 HydrophobicContact CE-CG 4.16Å; M1-L5 PolarHBondContact O-N 2.98Å; M1-L5 VanDerWaalsContact O-N 3.14Å
2	L	85.9	Confident	88.9	Confident	146 Å²	146	86.3 Å²	86.3	76%	0.764	51%	0.507	S	S	*	.	H	α-helix	trans	-57.9	-44.4	179	-67.1	172.8	0	0	0	113.3	F4 L5 S6	L2-F4 VanDerWaalsContact C-N 3.3Å; L2-F4 PolarHBondContact O-N 2.86Å; L2-L5 PolarHBondContact O-N 3.36Å; L2-L5 VanDerWaalsContact O-N 3.15Å; L2-S6 PolarHBondContact O-N 3.27Å; L2-S6 PolarHBondContact O-OG 2.94Å
3	G	86.4	Confident	88.9	Confident	49 Å²	49	84.7 Å²	84.7	51%	0.505	50%	0.495	S	S	.	.	H	α-helix	trans	-61.2	-33.3	175.1	0	0	0	0	0	114.4	M1 S6 A7	M1-G3 PolarHBondContact O-N 2.99Å; G3-S6 WeakPolarHBondContact CA-OG 3.27Å; G3-S6 PolarHBondContact O-OG 2.96Å; G3-S6 VanDerWaalsContact O-OG 3.09Å; G3-A7 WeakPolarHBondContact O-CB 3.37Å; G3-A7 PolarHBondContact O-N 3.21Å
4	F	87.9	Confident	89.2	Confident	39 Å²	39	84.7 Å²	84.7	17%	0.171	49%	0.492	C	S	.	.	H	α-helix	trans	-66.3	-43.6	174.1	163.2	-84.3	0	0	0	111.1	M1 L2 R8 L18 E22	M1-F4 HydrophobicContact CE-CD1 3.79Å; M1-F4 HydrophobicContact CE-CE1 4.03Å; M1-F4 WeakPolarHBondContact O-CB 3.24Å; M1-F4 PolarHBondContact O-N 3.2Å; M1-F4 VanDerWaalsContact O-N 3.12Å; M1-F4 HydrophobicContact SD-CD1 4.13Å; L2-F4 VanDerWaalsContact C-N 3.3Å; L2-F4 PolarHBondContact O-N 2.86Å; F4-R8 WeakPolarHBondContact O-CB 3.21Å; F4-R8 PolarHBondContact O-N 2.76Å; F4-L18 HydrophobicContact CD2-CB 3.86Å; F4-L18 HydrophobicContact CD2-CD2 4.28Å; F4-L18 HydrophobicContact CD2-CG 4.49Å; F4-L18 HydrophobicContact CE2-CB 3.57Å; F4-L18 WeakPolarHBondContact CE2-O 3.35Å; F4-L18 HydrophobicContact CZ-CB 4.5Å; F4-E22 HydrophobicContact CD2-CB 4.28Å; F4-E22 HydrophobicContact CE2-CB 3.94Å; F4-E22 HydrophobicContact CE2-CG 4.49Å
5	L	90.1	Very high	89.3	Confident	59 Å²	59	83.8 Å²	83.8	31%	0.309	49%	0.49	S	S	.	.	H	α-helix	trans	-67.4	-44.2	179.5	-69.4	172.5	0	0	0	111.4	M1 L2 R8 Q9	M1-L5 HydrophobicContact CE-CD1 4.44Å; M1-L5 HydrophobicContact CE-CD2 4.17Å; M1-L5 HydrophobicContact CE-CG 4.16Å; M1-L5 PolarHBondContact O-N 2.98Å; M1-L5 VanDerWaalsContact O-N 3.14Å; L2-L5 PolarHBondContact O-N 3.36Å; L2-L5 VanDerWaalsContact O-N 3.15Å; L5-R8 PolarHBondContact O-N 2.75Å; L5-Q9 WeakPolarHBondContact O-CB 3.41Å; L5-Q9 VanDerWaalsContact O-CG 3.27Å; L5-Q9 WeakPolarHBondContact O-CG 3.39Å; L5-Q9 PolarHBondContact O-N 3.17Å
6	S	90.8	Very high	89.4	Confident	65 Å²	65	84.9 Å²	84.9	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-65.4	-45	178.8	62.6	0	0	0	0	111.7	L2 G3 R8 Q9 A10	L2-S6 PolarHBondContact O-N 3.27Å; L2-S6 PolarHBondContact O-OG 2.94Å; G3-S6 WeakPolarHBondContact CA-OG 3.27Å; G3-S6 PolarHBondContact O-OG 2.96Å; G3-S6 VanDerWaalsContact O-OG 3.09Å; S6-R8 VanDerWaalsContact C-N 3.32Å; S6-R8 PolarHBondContact O-N 3.39Å; S6-Q9 PolarHBondContact O-N 3.37Å; S6-A10 VanDerWaalsContact O-CB 3.24Å; S6-A10 WeakPolarHBondContact O-CB 3.39Å; S6-A10 PolarHBondContact O-N 3.42Å
7	A	88.8	Confident	89.5	Confident	16 Å²	16	90.1 Å²	90.1	13%	0.132	50%	0.502	C	S	.	.	H	α-helix	trans	-60.5	-41.4	176.3	0	0	0	0	0	112	G3 G11 V12 L18	G3-A7 WeakPolarHBondContact O-CB 3.37Å; G3-A7 PolarHBondContact O-N 3.21Å; A7-G11 PolarHBondContact O-N 3.09Å; A7-G11 VanDerWaalsContact O-N 3.08Å; A7-V12 PolarHBondContact O-N 3.41Å; A7-L18 HydrophobicContact CB-CD1 4.17Å
8	R	90.1	Very high	89.6	Confident	130 Å²	130	86.2 Å²	86.2	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-66.9	-42.1	177	-165	-178.8	77.7	161	3.4	112.5	F4 L5 S6 G11 P15 L18	F4-R8 WeakPolarHBondContact O-CB 3.21Å; F4-R8 PolarHBondContact O-N 2.76Å; L5-R8 PolarHBondContact O-N 2.75Å; S6-R8 VanDerWaalsContact C-N 3.32Å; S6-R8 PolarHBondContact O-N 3.39Å; R8-G11 PolarHBondContact O-N 3.32Å; R8-P15 HydrophobicContact CG-CB 4.29Å; R8-P15 HydrophobicContact CG-CG 4.43Å; R8-L18 HydrophobicContact CB-CD1 3.76Å; R8-L18 HydrophobicContact CG-CD1 4.31Å
9	Q	91	Very high	89.6	Confident	160 Å²	160	89.5 Å²	89.5	75%	0.748	48%	0.484	S	S	*	.	H	α-helix	trans	-69.9	-40.6	179.9	-76.9	174.6	-17.8	0	0	112.1	L5 S6 G11	L5-Q9 WeakPolarHBondContact O-CB 3.41Å; L5-Q9 VanDerWaalsContact O-CG 3.27Å; L5-Q9 WeakPolarHBondContact O-CG 3.39Å; L5-Q9 PolarHBondContact O-N 3.17Å; S6-Q9 PolarHBondContact O-N 3.37Å; Q9-G11 PolarHBondContact O-N 2.87Å
10	A	91.8	Very high	89.8	Confident	76 Å²	76	91.9 Å²	91.9	63%	0.628	49%	0.486	S	S	*	.	H	α-helix	trans	-76.8	-9	177.8	0	0	0	0	0	113.1	S6 V12	S6-A10 VanDerWaalsContact O-CB 3.24Å; S6-A10 WeakPolarHBondContact O-CB 3.39Å; S6-A10 PolarHBondContact O-N 3.42Å; A10-V12 HydrophobicContact CB-CG2 3.81Å; A10-V12 PolarHBondContact O-N 3Å
11	G	90.8	Very high	89.8	Confident	57 Å²	57	90.1 Å²	90.1	59%	0.588	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	25.3	-178.7	0	0	0	0	0	113.6	A7 R8 Q9	A7-G11 PolarHBondContact O-N 3.09Å; A7-G11 VanDerWaalsContact O-N 3.08Å; R8-G11 PolarHBondContact O-N 3.32Å; Q9-G11 PolarHBondContact O-N 2.87Å
12	V	90.9	Very high	90.3	Very high	106 Å²	106	85.5 Å²	85.5	64%	0.642	46%	0.461	S	S	*	.			trans	-69	-39.4	-178.6	175.2	0	0	0	0	110.7	A7 A10	A7-V12 PolarHBondContact O-N 3.41Å; A10-V12 HydrophobicContact CB-CG2 3.81Å; A10-V12 PolarHBondContact O-N 3Å
13	D	89.5	Confident	90.7	Very high	66 Å²	66	78.9 Å²	78.9	35%	0.353	43%	0.428	S	S	.	.	S	Bend	trans	-120.2	152.6	178.4	-74	-49.4	0	0	0	111.1	P15 L18	D13-P15 WeakPolarHBondContact O-CD 3.33Å; D13-L18 HydrophobicContact CB-CD1 3.93Å; D13-L18 HydrophobicContact CB-CD2 3.92Å; D13-L18 HydrophobicContact CB-CG 3.74Å
14	D	92.4	Very high	91	Very high	85 Å²	85	77.1 Å²	77.1	46%	0.455	41%	0.407	S	S	.	.			trans	-57.2	122.5	171.5	169.6	29.3	0	0	0	110.6	L16 R17 L18	D14-L16 PolarHBondContact O-N 2.93Å; D14-L16 VanDerWaalsContact O-N 3.13Å; D14-L16 PolarHBondContact OD1-N 3.15Å; D14-L16 VanDerWaalsContact OD1-N 3.16Å; D14-R17 HydrophobicContact CB-CB 4.06Å; D14-R17 WeakPolarHBondContact O-CB 3.42Å; D14-R17 PolarHBondContact O-N 3.4Å; D14-R17 PolarHBondContact OD2-N 3.14Å; D14-L18 PolarHBondContact O-N 3Å
15	P	91.5	Very high	91.2	Very high	71 Å²	71	79.4 Å²	79.4	46%	0.461	41%	0.414	S	S	.	.	H	α-helix	trans	-55.2	-31.8	179.4	-28	35.5	0	0	0	114.1	R8 D13 R19	R8-P15 HydrophobicContact CG-CB 4.29Å; R8-P15 HydrophobicContact CG-CG 4.43Å; D13-P15 WeakPolarHBondContact O-CD 3.33Å; P15-R19 WeakPolarHBondContact O-CB 3.4Å; P15-R19 PolarHBondContact O-N 3.35Å
16	L	90.1	Very high	91.4	Very high	102 Å²	102	79.8 Å²	79.8	53%	0.534	41%	0.412	S	S	.	.	H	α-helix	trans	-72.1	-40.4	178.1	-66.6	173.6	0	0	0	111.7	D14 R19 R20	D14-L16 PolarHBondContact O-N 2.93Å; D14-L16 VanDerWaalsContact O-N 3.13Å; D14-L16 PolarHBondContact OD1-N 3.15Å; D14-L16 VanDerWaalsContact OD1-N 3.16Å; L16-R19 PolarHBondContact O-N 3.12Å; L16-R20 WeakPolarHBondContact O-CG 3.45Å; L16-R20 PolarHBondContact O-N 3.39Å
17	R	90.7	Very high	91.6	Very high	172 Å²	172	77 Å²	77	65%	0.649	39%	0.392	S	S	*	.	H	α-helix	trans	-59.9	-47.1	171.9	-179.7	-178.2	173.7	152.7	-1.2	111.2	D14 R19 R20 A21	D14-R17 HydrophobicContact CB-CB 4.06Å; D14-R17 WeakPolarHBondContact O-CB 3.42Å; D14-R17 PolarHBondContact O-N 3.4Å; D14-R17 PolarHBondContact OD2-N 3.14Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R17-R19 PolarHBondContact O-N 3.08Å; R17-R20 PolarHBondContact O-N 3.39Å; R17-A21 PolarHBondContact O-N 3.29Å
18	L	91.1	Very high	91.8	Very high	20 Å²	20	80.6 Å²	80.6	11%	0.105	41%	0.408	C	S	.	.	H	α-helix	trans	-58.9	-46.3	176.7	-73.4	178.9	0	0	0	111.1	F4 A7 R8 D13 D14 R20 A21 E22	F4-L18 HydrophobicContact CD2-CB 3.86Å; F4-L18 HydrophobicContact CD2-CD2 4.28Å; F4-L18 HydrophobicContact CD2-CG 4.49Å; F4-L18 HydrophobicContact CE2-CB 3.57Å; F4-L18 WeakPolarHBondContact CE2-O 3.35Å; F4-L18 HydrophobicContact CZ-CB 4.5Å; A7-L18 HydrophobicContact CB-CD1 4.17Å; R8-L18 HydrophobicContact CB-CD1 3.76Å; R8-L18 HydrophobicContact CG-CD1 4.31Å; D13-L18 HydrophobicContact CB-CD1 3.93Å; D13-L18 HydrophobicContact CB-CD2 3.92Å; D13-L18 HydrophobicContact CB-CG 3.74Å; D14-L18 PolarHBondContact O-N 3Å; L18-R20 PolarHBondContact O-N 3.04Å; L18-A21 PolarHBondContact O-N 3.05Å; L18-E22 PolarHBondContact O-N 3.04Å
19	R	91.3	Very high	92	Very high	149 Å²	149	75.8 Å²	75.8	56%	0.562	39%	0.394	S	S	*	.	H	α-helix	trans	-56.8	-47.1	176.5	-177.8	-177.7	176.3	-172.6	-0.4	111.6	P15 L16 R17 A21 E22 S23	P15-R19 WeakPolarHBondContact O-CB 3.4Å; P15-R19 PolarHBondContact O-N 3.35Å; L16-R19 PolarHBondContact O-N 3.12Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R17-R19 PolarHBondContact O-N 3.08Å; R19-A21 PolarHBondContact O-N 2.63Å; R19-E22 PolarHBondContact O-N 3.44Å; R19-S23 PolarHBondContact O-N 3.44Å; R19-S23 PolarHBondContact O-OG 2.91Å
20	R	92.1	Very high	92.3	Very high	137 Å²	137	68.7 Å²	68.7	52%	0.517	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-43	178.5	-72.6	177.1	178.7	156.3	0.9	112.3	L16 R17 L18 E22 S23 T24 G304	L16-R20 WeakPolarHBondContact O-CG 3.45Å; L16-R20 PolarHBondContact O-N 3.39Å; R17-R20 PolarHBondContact O-N 3.39Å; L18-R20 PolarHBondContact O-N 3.04Å; R20-E22 VanDerWaalsContact C-N 3.34Å; R20-S23 PolarHBondContact O-N 3.01Å; R20-T24 PolarHBondContact O-N 3.13Å; R20-T24 PolarHBondContact O-OG1 3.29Å; R20-G304 WeakPolarHBondContact CG-O 3.36Å
21	A	91.4	Very high	92.5	Very high	55 Å²	55	71.3 Å²	71.3	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-63.1	-41.5	177.7	0	0	0	0	0	111.7	R17 L18 R19 T24 R25	R17-A21 PolarHBondContact O-N 3.29Å; L18-A21 PolarHBondContact O-N 3.05Å; R19-A21 PolarHBondContact O-N 2.63Å; A21-T24 WeakPolarHBondContact O-CB 3.45Å; A21-T24 PolarHBondContact O-N 2.83Å; A21-R25 PolarHBondContact O-N 3.27Å
22	E	91.9	Very high	92.7	Very high	35 Å²	35	72 Å²	72	16%	0.164	35%	0.349	C	S	.	.	H	α-helix	trans	-68.1	-41	176.3	-177.9	57.4	-160.2	0	0	112.1	F4 L18 R19 R20 T24 R25 R26	F4-E22 HydrophobicContact CD2-CB 4.28Å; F4-E22 HydrophobicContact CE2-CB 3.94Å; F4-E22 HydrophobicContact CE2-CG 4.49Å; L18-E22 PolarHBondContact O-N 3.04Å; R19-E22 PolarHBondContact O-N 3.44Å; R20-E22 VanDerWaalsContact C-N 3.34Å; E22-T24 VanDerWaalsContact C-N 3.33Å; E22-T24 PolarHBondContact O-N 3.43Å; E22-R25 VanDerWaalsContact CD-NE 3.28Å; E22-R25 WeakPolarHBondContact O-CB 3.2Å; E22-R25 PolarHBondContact O-N 2.99Å; E22-R25 VanDerWaalsContact O-N 3.15Å; E22-R25 IonicContact OE1-CZ 3.21Å; E22-R25 IonicContact OE1-NE 3.04Å; E22-R25 PolarHBondContact OE1-NE 3.46Å; E22-R25 IonicContact OE1-NH2 2.63Å; E22-R25 PolarHBondContact OE1-NH2 3.27Å; E22-R25 IonicContact OE2-CZ 3.77Å; E22-R25 IonicContact OE2-NE 2.83Å; E22-R25 PolarHBondContact OE2-NE 3.43Å; E22-R25 IonicContact OE2-NH2 3.88Å; E22-R26 WeakPolarHBondContact O-CG 3.19Å; E22-R26 PolarHBondContact O-N 3.16Å
23	S	93.4	Very high	92.8	Very high	8 Å²	8	68.1 Å²	68.1	6%	0.056	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-42.5	172.6	-68	0	0	0	0	111.7	R19 R20 R26 V27	R19-S23 PolarHBondContact O-N 3.44Å; R19-S23 PolarHBondContact O-OG 2.91Å; R20-S23 PolarHBondContact O-N 3.01Å; S23-R26 WeakPolarHBondContact O-CB 3.44Å; S23-R26 PolarHBondContact O-N 2.96Å; S23-V27 WeakPolarHBondContact O-CG2 3.4Å; S23-V27 PolarHBondContact O-N 3.06Å
24	T	93.6	Very high	92.9	Very high	11 Å²	11	70 Å²	70	7%	0.067	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-46.3	171.9	-68.9	0	0	0	0	111.7	R20 A21 E22 R26 V27 L28 C305 S306 P307 F309	R20-T24 PolarHBondContact O-N 3.13Å; R20-T24 PolarHBondContact O-OG1 3.29Å; A21-T24 WeakPolarHBondContact O-CB 3.45Å; A21-T24 PolarHBondContact O-N 2.83Å; E22-T24 VanDerWaalsContact C-N 3.33Å; E22-T24 PolarHBondContact O-N 3.43Å; T24-R26 PolarHBondContact O-N 2.95Å; T24-V27 PolarHBondContact O-N 2.96Å; T24-L28 HydrophobicContact CG2-CD1 4.11Å; T24-L28 HydrophobicContact CG2-CG 4.46Å; T24-L28 WeakPolarHBondContact O-CG 3.23Å; T24-L28 PolarHBondContact O-N 3.45Å; T24-C305 WeakPolarHBondContact OG1-CB 3.4Å; T24-S306 PolarHBondContact OG1-N 3.1Å; T24-S306 PolarHBondContact OG1-O 3.49Å; T24-P307 HydrophobicContact CG2-CG 4.29Å; T24-P307 PolarHBondContact OG1-O 3.01Å; T24-F309 HydrophobicContact CG2-CE2 4.01Å; T24-F309 HydrophobicContact CG2-CZ 3.99Å
25	R	92.4	Very high	92.9	Very high	87 Å²	87	68.7 Å²	68.7	33%	0.328	33%	0.333	S	S	.	.	H	α-helix	trans	-57	-39.8	178	-168.7	-168.2	71.2	73.9	-2.4	111.7	A21 E22 S29	A21-R25 PolarHBondContact O-N 3.27Å; E22-R25 VanDerWaalsContact CD-NE 3.28Å; E22-R25 WeakPolarHBondContact O-CB 3.2Å; E22-R25 PolarHBondContact O-N 2.99Å; E22-R25 VanDerWaalsContact O-N 3.15Å; E22-R25 IonicContact OE1-CZ 3.21Å; E22-R25 IonicContact OE1-NE 3.04Å; E22-R25 PolarHBondContact OE1-NE 3.46Å; E22-R25 IonicContact OE1-NH2 2.63Å; E22-R25 PolarHBondContact OE1-NH2 3.27Å; E22-R25 IonicContact OE2-CZ 3.77Å; E22-R25 IonicContact OE2-NE 2.83Å; E22-R25 PolarHBondContact OE2-NE 3.43Å; E22-R25 IonicContact OE2-NH2 3.88Å; R25-S29 PolarHBondContact O-N 3.47Å
26	R	93.9	Very high	93	Very high	68 Å²	68	65.9 Å²	65.9	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-65.6	-48.3	175.4	-70.6	-177.3	76.2	-168.8	8	111.7	E22 S23 T24 L28 S29 L30 Y348 Q349 P365	E22-R26 WeakPolarHBondContact O-CG 3.19Å; E22-R26 PolarHBondContact O-N 3.16Å; S23-R26 WeakPolarHBondContact O-CB 3.44Å; S23-R26 PolarHBondContact O-N 2.96Å; T24-R26 PolarHBondContact O-N 2.95Å; R26-L28 VanDerWaalsContact C-N 3.25Å; R26-L28 PolarHBondContact O-N 3.15Å; R26-S29 CarbonylContact O-C 3.59Å; R26-S29 PolarHBondContact O-N 3.37Å; R26-S29 PolarHBondContact O-OG 3.42Å; R26-S29 VanDerWaalsContact O-OG 3.13Å; R26-L30 PolarHBondContact O-N 3.39Å; R26-Y348 PolarHBondContact NH1-O 2.7Å; R26-Y348 PolarHBondContact NH2-O 3.2Å; R26-Q349 HydrophobicContact CB-CB 4.17Å; R26-P365 HydrophobicContact CB-CB 3.59Å; R26-P365 HydrophobicContact CB-CG 4.05Å; R26-P365 HydrophobicContact CG-CB 4.14Å; R26-P365 HydrophobicContact CG-CG 4.43Å; R26-P365 WeakPolarHBondContact O-CB 3.34Å
27	V	94.7	Very high	93.1	Very high	6 Å²	6	66 Å²	66	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-58.3	-39.1	177.8	175.4	0	0	0	0	111.7	S23 T24 S29 L30 F309 F311 F344 Q349	S23-V27 WeakPolarHBondContact O-CG2 3.4Å; S23-V27 PolarHBondContact O-N 3.06Å; T24-V27 PolarHBondContact O-N 2.96Å; V27-S29 PolarHBondContact O-N 3.37Å; V27-L30 WeakPolarHBondContact O-CB 3.38Å; V27-L30 PolarHBondContact O-N 2.97Å; V27-F309 HydrophobicContact CB-CD2 4.04Å; V27-F309 HydrophobicContact CB-CE2 3.99Å; V27-F309 HydrophobicContact CG1-CB 4.35Å; V27-F309 HydrophobicContact CG1-CD2 3.4Å; V27-F309 VanDerWaalsContact CG1-CD2 3.4Å; V27-F309 HydrophobicContact CG1-CE2 3.76Å; V27-F309 HydrophobicContact CG1-CG 3.88Å; V27-F311 HydrophobicContact CG1-CE1 4.21Å; V27-F311 HydrophobicContact CG1-CZ 3.75Å; V27-F344 HydrophobicContact CG2-CE2 3.99Å; V27-F344 HydrophobicContact CG2-CZ 3.95Å; V27-Q349 HydrophobicContact CG2-CB 3.97Å; V27-Q349 HydrophobicContact CG2-CG 4.16Å
28	L	94.1	Very high	93.3	Very high	92 Å²	92	58.6 Å²	58.6	48%	0.482	29%	0.288	S	S	.	.	H	α-helix	trans	-66.1	-22.8	176.3	-69.5	174.3	0	0	0	113.8	T24 R26 F309 I329	T24-L28 HydrophobicContact CG2-CD1 4.11Å; T24-L28 HydrophobicContact CG2-CG 4.46Å; T24-L28 WeakPolarHBondContact O-CG 3.23Å; T24-L28 PolarHBondContact O-N 3.45Å; R26-L28 VanDerWaalsContact C-N 3.25Å; R26-L28 PolarHBondContact O-N 3.15Å; L28-F309 HydrophobicContact CD2-CE1 3.7Å; L28-F309 HydrophobicContact CD2-CZ 3.61Å; L28-F309 HydrophobicContact CG-CE1 4.5Å; L28-F309 HydrophobicContact CG-CZ 3.93Å; L28-I329 HydrophobicContact CD2-CG2 3.75Å
29	S	93.9	Very high	93.5	Very high	28 Å²	28	60.5 Å²	60.5	20%	0.196	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	13.4	179.5	73.5	0	0	0	0	114	R25 R26 V27 K31 V366	R25-S29 PolarHBondContact O-N 3.47Å; R26-S29 CarbonylContact O-C 3.59Å; R26-S29 PolarHBondContact O-N 3.37Å; R26-S29 PolarHBondContact O-OG 3.42Å; R26-S29 VanDerWaalsContact O-OG 3.13Å; V27-S29 PolarHBondContact O-N 3.37Å; S29-K31 PolarHBondContact O-N 2.93Å; S29-V366 PolarHBondContact O-N 3.13Å; S29-V366 PolarHBondContact OG-N 3.35Å; S29-V366 PolarHBondContact OG-O 2.91Å
30	L	95.8	Very high	93.7	Very high	11 Å²	11	61 Å²	61	6%	0.058	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.1	-177.1	-170.5	157.3	0	0	0	111	R26 V27 F311 L332 L351 W363 V364	R26-L30 PolarHBondContact O-N 3.39Å; V27-L30 WeakPolarHBondContact O-CB 3.38Å; V27-L30 PolarHBondContact O-N 2.97Å; L30-F311 HydrophobicContact CD1-CE1 4.41Å; L30-L332 HydrophobicContact CD2-CD1 3.35Å; L30-L332 HydrophobicContact CD2-CD2 3.49Å; L30-L332 VanDerWaalsContact CD2-CD2 3.49Å; L30-L332 HydrophobicContact CD2-CG 4.05Å; L30-L351 HydrophobicContact CD1-CB 4.01Å; L30-W363 HydrophobicContact CD2-CB 3.28Å; L30-W363 HydrophobicContact CD2-CG 4.07Å; L30-W363 HydrophobicContact CG-CB 3.96Å; L30-V364 WeakPolarHBondContact CA-O 3.26Å
31	K	96	Very high	93.8	Very high	132 Å²	132	57.2 Å²	57.2	57%	0.574	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.4	164.7	179.4	-63.9	-169.6	-175.2	177.3	0	110.6	S29 N33 W363 V364 V366	S29-K31 PolarHBondContact O-N 2.93Å; K31-N33 PolarHBondContact O-N 2.97Å; K31-W363 CarbonylContact O-C 3.56Å; K31-W363 WeakPolarHBondContact O-CA 3.3Å; K31-V364 PolarHBondContact N-O 3.28Å; K31-V364 PolarHBondContact O-N 3.11Å; K31-V366 HydrophobicContact CB-CG2 3.97Å; K31-V366 HydrophobicContact CD-CG2 3.9Å; K31-V366 HydrophobicContact CG-CG2 4.03Å
32	L	96.4	Very high	94	Very high	72 Å²	72	54.8 Å²	54.8	38%	0.377	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	130	172.8	-177.8	62.7	0	0	0	108.7	P34 L361 W363	L32-P34 VanDerWaalsContact O-CD 3.23Å; L32-P34 WeakPolarHBondContact O-CD 3.24Å; L32-L361 HydrophobicContact CD1-CB 4.02Å; L32-L361 HydrophobicContact CD1-CD1 4.02Å; L32-L361 HydrophobicContact CD1-CD2 4.29Å; L32-L361 HydrophobicContact CD1-CG 4.34Å; L32-W363 VanDerWaalsContact CA-CE3 3.47Å; L32-W363 HydrophobicContact CB-CE3 3.8Å; L32-W363 HydrophobicContact CB-CH2 4.48Å; L32-W363 HydrophobicContact CB-CZ3 3.65Å; L32-W363 HydrophobicContact CD1-CD2 4.39Å; L32-W363 HydrophobicContact CD1-CE3 4.18Å; L32-W363 HydrophobicContact CD1-CH2 4.22Å; L32-W363 HydrophobicContact CD1-CZ2 4.45Å; L32-W363 HydrophobicContact CD1-CZ3 4.08Å; L32-W363 HydrophobicContact CG-CZ3 4.4Å
33	N	93.5	Very high	94.1	Very high	24 Å²	24	55.5 Å²	55.5	13%	0.128	29%	0.286	C	S	.	.			trans	-86.2	108.7	176.8	-166.8	-8.7	0	0	0	109.9	K31 D35 R36 S362 V364	K31-N33 PolarHBondContact O-N 2.97Å; N33-D35 PolarHBondContact O-N 3.41Å; N33-D35 WeakPolarHBondContact OD1-CA 3.48Å; N33-D35 WeakPolarHBondContact OD1-CB 3.35Å; N33-D35 PolarHBondContact OD1-N 3.3Å; N33-R36 HydrophobicContact CB-CB 4.11Å; N33-R36 WeakPolarHBondContact ND2-CB 3.42Å; N33-R36 PolarHBondContact OD1-N 2.68Å; N33-S362 WeakPolarHBondContact CB-O 3.4Å; N33-S362 PolarHBondContact N-O 3.01Å; N33-V364 HydrophobicContact CB-CB 4.31Å; N33-V364 HydrophobicContact CB-CG1 3.93Å; N33-V364 HydrophobicContact CB-CG2 3.6Å; N33-V364 VanDerWaalsContact ND2-CG1 3.29Å; N33-V364 WeakPolarHBondContact ND2-CG1 3.44Å
34	P	91	Very high	94.1	Very high	104 Å²	104	58.9 Å²	58.9	68%	0.675	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-17.4	174.7	33.3	-36.1	0	0	0	112.3	L32	L32-P34 VanDerWaalsContact O-CD 3.23Å; L32-P34 WeakPolarHBondContact O-CD 3.24Å
35	D	91.3	Very high	94.2	Very high	59 Å²	59	58.8 Å²	58.8	32%	0.316	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-7.9	-175.3	-63.1	-41.2	0	0	0	112.5	N33 Q81 Y82	N33-D35 PolarHBondContact O-N 3.41Å; N33-D35 WeakPolarHBondContact OD1-CA 3.48Å; N33-D35 WeakPolarHBondContact OD1-CB 3.35Å; N33-D35 PolarHBondContact OD1-N 3.3Å; D35-Q81 HydrophobicContact CB-CB 4.45Å; D35-Q81 HydrophobicContact CB-CG 3.58Å; D35-Q81 CarbonylContact O-C 3.59Å; D35-Q81 WeakPolarHBondContact O-CA 3.33Å; D35-Q81 VanDerWaalsContact OD1-CG 3.26Å; D35-Q81 WeakPolarHBondContact OD1-CG 3.41Å; D35-Q81 PolarHBondContact OD1-NE2 3.47Å; D35-Y82 PolarHBondContact O-N 2.91Å
36	R	93.5	Very high	94.5	Very high	11 Å²	11	54.7 Å²	54.7	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	108.7	-179.8	-174.6	165.2	62.2	-175.9	8.8	111.9	N33 Y82 E350 S362 V364	N33-R36 HydrophobicContact CB-CB 4.11Å; N33-R36 WeakPolarHBondContact ND2-CB 3.42Å; N33-R36 PolarHBondContact OD1-N 2.68Å; R36-Y82 WeakPolarHBondContact CA-O 3.22Å; R36-Y82 HydrophobicContact CB-CE1 4.46Å; R36-Y82 WeakPolarHBondContact CD-OH 3.24Å; R36-Y82 HydrophobicContact CG-CE1 4.04Å; R36-Y82 HydrophobicContact CG-CE2 4.49Å; R36-Y82 PolarHBondContact NH1-OH 3.26Å; R36-E350 IonicContact CZ-OE1 3.35Å; R36-E350 IonicContact CZ-OE2 3.8Å; R36-E350 VanDerWaalsContact NH1-CD 3.26Å; R36-E350 IonicContact NH1-OE1 3.57Å; R36-E350 PolarHBondContact NH1-OE1 3.08Å; R36-E350 VanDerWaalsContact NH1-OE1 3.1Å; R36-E350 IonicContact NH1-OE2 3.1Å; R36-E350 PolarHBondContact NH1-OE2 3.18Å; R36-E350 IonicContact NH2-OE1 3.72Å; R36-E350 PolarHBondContact NH2-OE1 2.8Å; R36-E350 IonicContact NH2-OE2 2.76Å; R36-E350 PolarHBondContact NH2-OE2 3.41Å; R36-S362 PolarHBondContact NE-OG 3.08Å; R36-S362 PolarHBondContact NH2-OG 3.32Å; R36-V364 VanDerWaalsContact CZ-CG1 3.5Å
37	D	92.9	Very high	94.6	Very high	105 Å²	105	52 Å²	52	56%	0.561	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	159.3	171.6	-77.7	-35.6	0	0	0	111.3	Y82 T83 C84	D37-Y82 PolarHBondContact N-O 2.88Å; D37-T83 HydrophobicContact CB-CG2 3.87Å; D37-T83 CarbonylContact O-C 3.57Å; D37-T83 WeakPolarHBondContact O-CA 3.24Å; D37-C84 PolarHBondContact O-N 2.79Å
38	V	95.4	Very high	94.8	Very high	16 Å²	16	51.8 Å²	51.8	10%	0.097	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.4	167.9	-177.4	0	0	0	0	107.6	R40 M59 Y71 C84 Y352 L360	V38-R40 PolarHBondContact O-N 3.01Å; V38-M59 HydrophobicContact CG1-CE 4.32Å; V38-Y71 HydrophobicContact CG1-CD1 3.78Å; V38-Y71 HydrophobicContact CG1-CE1 3.6Å; V38-Y71 HydrophobicContact CG1-CE2 4.32Å; V38-Y71 HydrophobicContact CG1-CG 4.23Å; V38-C84 HydrophobicContact CB-CB 4.39Å; V38-C84 HydrophobicContact CG1-CB 4.25Å; V38-C84 HydrophobicContact CG2-CB 4.07Å; V38-Y352 HydrophobicContact CG2-CD1 4.49Å; V38-Y352 HydrophobicContact CG2-CE1 4.38Å; V38-L360 HydrophobicContact CB-CB 3.81Å; V38-L360 HydrophobicContact CG1-CB 3.74Å; V38-L360 HydrophobicContact CG1-CD1 3.71Å; V38-L360 HydrophobicContact CG1-CG 4.37Å; V38-L360 HydrophobicContact CG2-CB 4.22Å
39	D	94.4	Very high	95	Very high	61 Å²	61	47.4 Å²	47.4	33%	0.326	26%	0.255	S	S	.	.			trans	-57.9	127.2	-174.4	-92.2	-20.1	0	0	0	111.9	I41 Y71 T83 C84 P86	D39-I41 PolarHBondContact O-N 3.32Å; D39-Y71 HydrophobicContact CB-CE1 4.2Å; D39-Y71 VanDerWaalsContact O-CE1 3.28Å; D39-Y71 WeakPolarHBondContact O-CE1 3.13Å; D39-Y71 PolarHBondContact O-OH 3.45Å; D39-T83 HydrophobicContact CB-CG2 4.41Å; D39-T83 WeakPolarHBondContact OD1-CG2 3.33Å; D39-C84 PolarHBondContact N-O 2.71Å; D39-P86 WeakPolarHBondContact OD2-CD 3.46Å
40	R	95.1	Very high	95.2	Very high	160 Å²	160	47.4 Å²	47.4	60%	0.604	25%	0.253	S	S	*	.			trans	-81.3	104.8	-178	-173.8	-176.9	178.9	175.8	1.9	111.2	V38 D357 N359	V38-R40 PolarHBondContact O-N 3.01Å; R40-D357 PolarHBondContact NH2-O 3.14Å; R40-N359 WeakPolarHBondContact CD-OD1 3.48Å
41	I	95.6	Very high	95.2	Very high	57 Å²	57	47.7 Å²	47.7	29%	0.292	26%	0.255	S	S	.	.			trans	-112.2	-35.4	176.2	-62.2	169	0	0	0	111.9	D39 G43 V67 V69 Y71 P86 T89	D39-I41 PolarHBondContact O-N 3.32Å; I41-G43 PolarHBondContact O-N 3.36Å; I41-V67 HydrophobicContact CG2-CG1 4.46Å; I41-V69 HydrophobicContact CB-CG2 3.98Å; I41-V69 HydrophobicContact CD1-CG1 3.55Å; I41-V69 HydrophobicContact CD1-CG2 4.11Å; I41-V69 HydrophobicContact CG2-CG2 3.81Å; I41-Y71 HydrophobicContact CD1-CE1 4.34Å; I41-P86 HydrophobicContact CD1-CB 3.24Å; I41-P86 HydrophobicContact CD1-CG 3.34Å; I41-P86 HydrophobicContact CG1-CG 4.41Å; I41-T89 HydrophobicContact CG2-CG2 3.94Å
42	H	95.8	Very high	95.2	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.019	23%	0.229	C	C	.	.			trans	-65.7	126.8	178.9	-68.7	-67.8	0	0	0	110.6	N44 I46 S61 G63 D65 V67	H42-N44 VanDerWaalsContact C-N 3.35Å; H42-N44 WeakPolarHBondContact CB-O 3.31Å; H42-I46 HydrophobicContact CB-CG1 4.16Å; H42-S61 WeakPolarHBondContact NE2-CB 3.36Å; H42-S61 PolarHBondContact NE2-OG 3.29Å; H42-G63 PolarHBondContact CE1-N 2.7Å; H42-G63 VanDerWaalsContact CE1-N 3.33Å; H42-D65 WeakPolarHBondContact CA-OD2 3.5Å; H42-D65 IonicContact ND1-OD1 3.84Å; H42-D65 PolarHBondContact ND1-OD1 2.76Å; H42-D65 IonicContact ND1-OD2 2.96Å; H42-V67 PolarHBondContact CE1-O 3.45Å
43	G	92.4	Very high	94.8	Very high	49 Å²	49	42.2 Å²	42.2	51%	0.505	24%	0.243	S	C	.	.	S	Bend	trans	-79.4	-22.5	176.6	0	0	0	0	0	112.9	I41 D65	I41-G43 PolarHBondContact O-N 3.36Å; G43-D65 PolarHBondContact N-OD2 2.88Å
44	N	94.9	Very high	94.6	Very high	79 Å²	79	45.5 Å²	45.5	42%	0.422	26%	0.26	S	S	.	.	S	Bend	trans	-124.7	-179.6	179.1	-67.9	-23.2	0	0	0	110.3	H42 A64 D65 G358	H42-N44 VanDerWaalsContact C-N 3.35Å; H42-N44 WeakPolarHBondContact CB-O 3.31Å; N44-A64 HydrophobicContact CB-CB 3.98Å; N44-D65 HydrophobicContact CB-CB 4.15Å; N44-G358 WeakPolarHBondContact O-CA 3.34Å
45	G	95.3	Very high	94.4	Very high	9 Å²	9	45.8 Å²	45.8	9%	0.093	25%	0.252	C	S	.	.			trans	-54.2	146.6	178.6	0	0	0	0	0	114.5	A64 G355	G45-A64 WeakPolarHBondContact O-CB 3.19Å; G45-A64 PolarHBondContact O-N 2.92Å; G45-G355 VanDerWaalsContact CA-O 3.3Å; G45-G355 WeakPolarHBondContact CA-O 3.34Å
46	I	97.7	Very high	94.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	117.6	175.3	-59.1	102.5	0	0	0	109.1	H42 T48 I49 D340 G355 N359 L360	H42-I46 HydrophobicContact CB-CG1 4.16Å; I46-T48 WeakPolarHBondContact CG2-O 3.45Å; I46-I49 HydrophobicContact CG2-CG1 4.1Å; I46-D340 WeakPolarHBondContact O-CB 3.44Å; I46-G355 PolarHBondContact N-O 2.66Å; I46-G355 VanDerWaalsContact N-O 3.13Å; I46-N359 VanDerWaalsContact CD1-C 3.48Å; I46-N359 VanDerWaalsContact CD1-O 3.27Å; I46-N359 WeakPolarHBondContact CD1-O 3.3Å; I46-L360 HydrophobicContact CB-CD2 4.47Å; I46-L360 HydrophobicContact CD1-CD2 4.35Å; I46-L360 HydrophobicContact CD1-CG 4.1Å; I46-L360 HydrophobicContact CG1-CD2 4.28Å; I46-L360 HydrophobicContact CG1-CG 4.27Å; I46-L360 HydrophobicContact CG2-CD2 4.07Å
47	N	97.3	Very high	94.5	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.07	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-22	-179.1	-54.5	-62.7	0	0	0	112.7	G62 A64 S101 V102 C341	N47-G62 PolarHBondContact N-O 3.31Å; N47-A64 WeakPolarHBondContact ND2-CA 3.48Å; N47-A64 PolarHBondContact ND2-N 3Å; N47-S101 PolarHBondContact ND2-OG 3.36Å; N47-V102 WeakPolarHBondContact CB-O 3.43Å; N47-V102 PolarHBondContact ND2-O 2.88Å; N47-C341 WeakPolarHBondContact O-CB 3.39Å
48	T	98.1	Very high	94.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	146.8	-169.9	-175.3	0	0	0	0	112.4	I46 S61 G62 E103 V105 Q298 C341	I46-T48 WeakPolarHBondContact CG2-O 3.45Å; T48-S61 WeakPolarHBondContact O-CA 3.45Å; T48-G62 PolarHBondContact N-O 3.18Å; T48-G62 PolarHBondContact O-N 3.5Å; T48-E103 WeakPolarHBondContact CB-O 3.2Å; T48-V105 HydrophobicContact CG2-CB 4.31Å; T48-V105 HydrophobicContact CG2-CG1 4.07Å; T48-V105 HydrophobicContact CG2-CG2 3.79Å; T48-V105 PolarHBondContact OG1-N 2.95Å; T48-Q298 VanDerWaalsContact CA-OE1 3.23Å; T48-Q298 PolarHBondContact OG1-OE1 3Å; T48-C341 PolarHBondContact N-SG 3.48Å
49	I	98.2	Very high	94.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.7	175.4	-62.4	163.2	0	0	0	107.4	I46 M59 L60 Q298 E343 L360	I46-I49 HydrophobicContact CG2-CG1 4.1Å; I49-M59 HydrophobicContact CG2-CG 3.49Å; I49-M59 VanDerWaalsContact CG2-CG 3.49Å; I49-M59 HydrophobicContact CG2-SD 3.4Å; I49-M59 WeakPolarHBondContact CG2-SD 3.46Å; I49-L60 CarbonylContact C-O 3.56Å; I49-L60 VanDerWaalsContact CA-O 3.24Å; I49-L60 WeakPolarHBondContact CA-O 3.29Å; I49-Q298 PolarHBondContact O-NE2 3.11Å; I49-Q298 PolarHBondContact O-OE1 2.84Å; I49-E343 HydrophobicContact CB-CB 4.35Å; I49-E343 HydrophobicContact CG2-CB 4.12Å; I49-L360 HydrophobicContact CD1-CD2 3.31Å; I49-L360 HydrophobicContact CG1-CD2 3.71Å
50	D	98.2	Very high	94.9	Very high	28 Å²	28	40 Å²	40	15%	0.15	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	129.5	169.7	-162.2	49	0	0	0	110.1	M59 L60 V105 Q106 W107	D50-M59 CarbonylContact O-C 3.55Å; D50-M59 WeakPolarHBondContact O-CA 3.44Å; D50-L60 HydrophobicContact CB-CB 4.5Å; D50-L60 PolarHBondContact N-O 3.21Å; D50-L60 PolarHBondContact O-N 3.1Å; D50-V105 HydrophobicContact CB-CG2 4.39Å; D50-Q106 VanDerWaalsContact OD2-CA 3.23Å; D50-Q106 WeakPolarHBondContact OD2-CA 3.45Å; D50-Q106 WeakPolarHBondContact OD2-CG 3.3Å; D50-W107 PolarHBondContact O-NE1 3.06Å; D50-W107 PolarHBondContact OD2-N 3.29Å
51	I	97.1	Very high	95	Very high	17 Å²	17	32.3 Å²	32.3	9%	0.087	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138.7	179.1	-57.3	172.7	0	0	0	107.6	A53 M59 L73 E343 H345 Y352	I51-A53 PolarHBondContact O-N 3.01Å; I51-M59 HydrophobicContact CG1-CB 4.48Å; I51-M59 HydrophobicContact CG1-CG 4.12Å; I51-L73 HydrophobicContact CG2-CD1 4.37Å; I51-E343 HydrophobicContact CD1-CB 4.43Å; I51-E343 HydrophobicContact CD1-CG 4.23Å; I51-E343 HydrophobicContact CG1-CG 4.18Å; I51-H345 HydrophobicContact CD1-CB 3.93Å; I51-Y352 HydrophobicContact CD1-CD2 3.8Å; I51-Y352 HydrophobicContact CD1-CE2 4.26Å
52	D	94.4	Very high	95.2	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.032	17%	0.17	C	C	.	.			trans	-55.7	130	177.5	172	30.7	0	0	0	111.2	I54 E55 G56 Y58 W107 T112	D52-I54 VanDerWaalsContact C-N 3.34Å; D52-I54 PolarHBondContact OD1-N 3.27Å; D52-E55 WeakPolarHBondContact OD2-CB 3.19Å; D52-E55 PolarHBondContact OD2-N 2.75Å; D52-G56 VanDerWaalsContact O-CA 3.24Å; D52-G56 WeakPolarHBondContact O-CA 3.17Å; D52-G56 PolarHBondContact O-N 3.07Å; D52-G56 VanDerWaalsContact O-N 3.15Å; D52-Y58 PolarHBondContact N-O 2.93Å; D52-W107 HydrophobicContact CB-CD2 4.4Å; D52-W107 HydrophobicContact CB-CG 4.43Å; D52-T112 VanDerWaalsContact CG-CG2 3.44Å; D52-T112 WeakPolarHBondContact OD1-CG2 3.42Å; D52-T112 WeakPolarHBondContact OD2-CG2 3.45Å
53	A	88.6	Confident	95.2	Very high	82 Å²	82	29.4 Å²	29.4	68%	0.678	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.8	-178.9	0	0	0	0	0	113.6	I51	I51-A53 PolarHBondContact O-N 3.01Å
54	I	88.9	Confident	95.4	Very high	94 Å²	94	28.5 Å²	28.5	48%	0.482	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-56.7	-175	-56.9	177.4	0	0	0	111.1	D52 T112	D52-I54 VanDerWaalsContact C-N 3.34Å; D52-I54 PolarHBondContact OD1-N 3.27Å; I54-T112 HydrophobicContact CB-CG2 4.13Å; I54-T112 HydrophobicContact CD1-CG2 3.98Å; I54-T112 HydrophobicContact CG1-CG2 4.38Å
55	E	88	Confident	95.4	Very high	109 Å²	109	25.6 Å²	25.6	51%	0.509	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-18.6	-177.4	-60.7	-173.4	169.8	0	0	113.1	D52 R57	D52-E55 WeakPolarHBondContact OD2-CB 3.19Å; D52-E55 PolarHBondContact OD2-N 2.75Å; E55-R57 HydrophobicContact CB-CB 4.08Å; E55-R57 PolarHBondContact O-N 3Å
56	G	91.7	Very high	95.4	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.031	14%	0.137	C	C	.	.	S	Bend	trans	68.2	-3.7	-172	0	0	0	0	0	114.1	D52 H345	D52-G56 VanDerWaalsContact O-CA 3.24Å; D52-G56 WeakPolarHBondContact O-CA 3.17Å; D52-G56 PolarHBondContact O-N 3.07Å; D52-G56 VanDerWaalsContact O-N 3.15Å; G56-H345 PolarHBondContact O-NE2 3.25Å
57	R	93.8	Very high	95.4	Very high	69 Å²	69	25.5 Å²	25.5	26%	0.26	14%	0.139	S	C	.	.			trans	-79	-40.3	-169.2	173.5	168.4	-179.3	-167	-3.9	114.1	E55 D72 L73 E74 H76	E55-R57 HydrophobicContact CB-CB 4.08Å; E55-R57 PolarHBondContact O-N 3Å; R57-D72 VanDerWaalsContact CG-OD1 3.26Å; R57-D72 WeakPolarHBondContact CG-OD1 3.5Å; R57-D72 IonicContact CZ-OD1 3.18Å; R57-D72 IonicContact CZ-OD2 3.92Å; R57-D72 IonicContact NE-OD1 3.44Å; R57-D72 PolarHBondContact NE-OD1 3Å; R57-D72 IonicContact NE-OD2 2.88Å; R57-D72 PolarHBondContact NE-OD2 3.26Å; R57-D72 IonicContact NH2-OD1 3.69Å; R57-D72 IonicContact NH2-OD2 2.71Å; R57-D72 PolarHBondContact NH2-OD2 2.99Å; R57-L73 VanDerWaalsContact O-CB 3.28Å; R57-L73 WeakPolarHBondContact O-CB 3.43Å; R57-L73 WeakPolarHBondContact O-CG 3.44Å; R57-L73 PolarHBondContact O-N 3Å; R57-E74 HydrophobicContact CB-CG 4.35Å; R57-E74 HydrophobicContact CG-CB 4.4Å; R57-E74 HydrophobicContact CG-CG 3.73Å; R57-H76 PolarHBondContact NH2-CE1 3.31Å; R57-H76 VanDerWaalsContact NH2-CE1 3.28Å; R57-H76 PolarHBondContact NH2-NE2 3.26Å
58	Y	96.1	Very high	95.4	Very high	58 Å²	58	24.9 Å²	24.9	23%	0.227	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	140.6	-173.7	-58.6	-73.8	0	0	0	111.4	D52 Y71 D72 V87	D52-Y58 PolarHBondContact N-O 2.93Å; Y58-Y71 VanDerWaalsContact CA-O 3.3Å; Y58-Y71 WeakPolarHBondContact CA-O 3.35Å; Y58-D72 HydrophobicContact CD1-CB 4.41Å; Y58-D72 HydrophobicContact CE1-CB 4.3Å; Y58-V87 HydrophobicContact CD1-CG2 4.22Å; Y58-V87 HydrophobicContact CE1-CG2 4.1Å
59	M	97.6	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.4	178.7	-177.7	-177.7	69.8	0	0	110.6	V38 I49 D50 I51 I70 Y71 L73 Y352 L360	V38-M59 HydrophobicContact CG1-CE 4.32Å; I49-M59 HydrophobicContact CG2-CG 3.49Å; I49-M59 VanDerWaalsContact CG2-CG 3.49Å; I49-M59 HydrophobicContact CG2-SD 3.4Å; I49-M59 WeakPolarHBondContact CG2-SD 3.46Å; D50-M59 CarbonylContact O-C 3.55Å; D50-M59 WeakPolarHBondContact O-CA 3.44Å; I51-M59 HydrophobicContact CG1-CB 4.48Å; I51-M59 HydrophobicContact CG1-CG 4.12Å; M59-I70 CarbonylContact O-C 3.59Å; M59-I70 WeakPolarHBondContact O-CA 3.35Å; M59-Y71 HydrophobicContact CE-CD2 3.76Å; M59-Y71 HydrophobicContact CE-CE2 4.41Å; M59-Y71 HydrophobicContact CE-CG 4.14Å; M59-Y71 PolarHBondContact N-O 3.28Å; M59-Y71 PolarHBondContact O-N 3.17Å; M59-L73 HydrophobicContact CB-CD1 3.99Å; M59-L73 HydrophobicContact CB-CD2 3.85Å; M59-L73 HydrophobicContact CB-CG 3.97Å; M59-L73 HydrophobicContact CE-CD2 4.01Å; M59-L73 HydrophobicContact SD-CD2 4.15Å; M59-Y352 HydrophobicContact CE-CD1 4.37Å; M59-Y352 HydrophobicContact SD-CD1 3.98Å; M59-Y352 HydrophobicContact SD-CD2 4.4Å; M59-Y352 HydrophobicContact SD-CG 3.88Å; M59-L360 HydrophobicContact CE-CD1 3.95Å
60	L	98.2	Very high	95.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	144.5	169	-68.2	168.8	0	0	0	110.3	I49 D50 I68 V69 I70 V105 W107 F115	I49-L60 CarbonylContact C-O 3.56Å; I49-L60 VanDerWaalsContact CA-O 3.24Å; I49-L60 WeakPolarHBondContact CA-O 3.29Å; D50-L60 HydrophobicContact CB-CB 4.5Å; D50-L60 PolarHBondContact N-O 3.21Å; D50-L60 PolarHBondContact O-N 3.1Å; L60-I68 HydrophobicContact CD2-CG2 4.38Å; L60-V69 CarbonylContact C-O 3.54Å; L60-V69 WeakPolarHBondContact CA-O 3.4Å; L60-I70 HydrophobicContact CD2-CB 4.27Å; L60-I70 HydrophobicContact CD2-CD1 4.01Å; L60-I70 HydrophobicContact CD2-CG1 3.63Å; L60-I70 HydrophobicContact CD2-CG2 4.3Å; L60-V105 HydrophobicContact CB-CB 4.27Å; L60-V105 HydrophobicContact CB-CG2 3.68Å; L60-W107 HydrophobicContact CD1-CD2 3.58Å; L60-W107 HydrophobicContact CD1-CE3 4.19Å; L60-W107 HydrophobicContact CD1-CG 3.77Å; L60-W107 HydrophobicContact CD1-CZ2 4.03Å; L60-W107 HydrophobicContact CD2-CH2 4.32Å; L60-W107 HydrophobicContact CD2-CZ2 3.95Å; L60-W107 HydrophobicContact CG-CD2 4.06Å; L60-W107 VanDerWaalsContact CG-CE2 3.42Å; L60-W107 HydrophobicContact CG-CG 4.48Å; L60-W107 HydrophobicContact CG-CH2 4.32Å; L60-W107 HydrophobicContact CG-CZ2 3.57Å; L60-F115 HydrophobicContact CD1-CB 3.47Å; L60-F115 VanDerWaalsContact CD1-CB 3.47Å; L60-F115 HydrophobicContact CD1-CD1 4.44Å; L60-F115 HydrophobicContact CD1-CD2 4.03Å; L60-F115 HydrophobicContact CD1-CG 3.75Å; L60-F115 HydrophobicContact CD2-CD1 4.27Å; L60-F115 HydrophobicContact CD2-CD2 4.31Å; L60-F115 HydrophobicContact CD2-CE1 4.48Å; L60-F115 HydrophobicContact CD2-CG 4.19Å
61	S	98.3	Very high	95.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143.8	166.8	65.3	0	0	0	0	111.3	H42 T48 I68 V69 Y71	H42-S61 WeakPolarHBondContact NE2-CB 3.36Å; H42-S61 PolarHBondContact NE2-OG 3.29Å; T48-S61 WeakPolarHBondContact O-CA 3.45Å; S61-I68 WeakPolarHBondContact O-CA 3.49Å; S61-V69 PolarHBondContact N-O 3.43Å; S61-V69 PolarHBondContact O-N 2.77Å; S61-Y71 VanDerWaalsContact OG-CE2 3.32Å; S61-Y71 WeakPolarHBondContact OG-CE2 3.39Å
62	G	97.9	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125	176.4	0	0	0	0	0	111.2	N47 T48	N47-G62 PolarHBondContact N-O 3.31Å; T48-G62 PolarHBondContact N-O 3.18Å; T48-G62 PolarHBondContact O-N 3.5Å
63	G	97	Very high	95.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	158.9	-177.3	0	0	0	0	0	114.1	H42 D65 G66 V67 V102	H42-G63 PolarHBondContact CE1-N 2.7Å; H42-G63 VanDerWaalsContact CE1-N 3.33Å; G63-D65 VanDerWaalsContact CA-OD1 3.32Å; G63-D65 WeakPolarHBondContact CA-OD1 3.14Å; G63-D65 PolarHBondContact O-N 2.98Å; G63-G66 PolarHBondContact O-N 3.33Å; G63-V67 PolarHBondContact N-O 2.93Å; G63-V67 VanDerWaalsContact N-O 3.08Å; G63-V102 PolarHBondContact O-N 2.9Å
64	A	96.3	Very high	95.4	Very high	30 Å²	30	23.5 Å²	23.5	25%	0.248	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.4	171.3	0	0	0	0	0	113.2	N44 G45 N47 G66 S101	N44-A64 HydrophobicContact CB-CB 3.98Å; G45-A64 WeakPolarHBondContact O-CB 3.19Å; G45-A64 PolarHBondContact O-N 2.92Å; N47-A64 WeakPolarHBondContact ND2-CA 3.48Å; N47-A64 PolarHBondContact ND2-N 3Å; A64-G66 VanDerWaalsContact C-N 3.33Å; A64-S101 WeakPolarHBondContact CA-OG 3.41Å; A64-S101 WeakPolarHBondContact O-CA 3.47Å
65	D	95.6	Very high	95.5	Very high	18 Å²	18	21.3 Å²	21.3	10%	0.096	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.1	174	58.9	-4.5	0	0	0	114.3	H42 G43 N44 G63 V67	H42-D65 WeakPolarHBondContact CA-OD2 3.5Å; H42-D65 IonicContact ND1-OD1 3.84Å; H42-D65 PolarHBondContact ND1-OD1 2.76Å; H42-D65 IonicContact ND1-OD2 2.96Å; G43-D65 PolarHBondContact N-OD2 2.88Å; N44-D65 HydrophobicContact CB-CB 4.15Å; G63-D65 VanDerWaalsContact CA-OD1 3.32Å; G63-D65 WeakPolarHBondContact CA-OD1 3.14Å; G63-D65 PolarHBondContact O-N 2.98Å; D65-V67 VanDerWaalsContact C-N 3.29Å; D65-V67 HydrophobicContact CB-CG2 4.39Å; D65-V67 WeakPolarHBondContact OD1-CB 3.22Å; D65-V67 PolarHBondContact OD1-N 3.33Å; D65-V67 VanDerWaalsContact OD1-N 3.16Å
66	G	95.6	Very high	95.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	84.6	1	-178.6	0	0	0	0	0	114.2	G63 A64 V97 H98 F100	G63-G66 PolarHBondContact O-N 3.33Å; A64-G66 VanDerWaalsContact C-N 3.33Å; G66-V97 WeakPolarHBondContact O-CG2 3.37Å; G66-H98 PolarHBondContact O-N 2.96Å; G66-F100 WeakPolarHBondContact CA-O 3.29Å
67	V	97.3	Very high	95.1	Very high	7 Å²	7	25.6 Å²	25.6	4%	0.042	13%	0.13	C	C	.	.			trans	-87.5	145.9	-176.4	178.3	0	0	0	0	110	I41 H42 G63 D65 V69 T89 R92	I41-V67 HydrophobicContact CG2-CG1 4.46Å; H42-V67 PolarHBondContact CE1-O 3.45Å; G63-V67 PolarHBondContact N-O 2.93Å; G63-V67 VanDerWaalsContact N-O 3.08Å; D65-V67 VanDerWaalsContact C-N 3.29Å; D65-V67 HydrophobicContact CB-CG2 4.39Å; D65-V67 WeakPolarHBondContact OD1-CB 3.22Å; D65-V67 PolarHBondContact OD1-N 3.33Å; D65-V67 VanDerWaalsContact OD1-N 3.16Å; V67-V69 HydrophobicContact CG1-CG2 3.92Å; V67-T89 HydrophobicContact CG1-CG2 3.88Å; V67-R92 HydrophobicContact CG2-CG 4.44Å
68	I	97.6	Very high	94.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.9	169.6	-55.2	166.8	0	0	0	107.7	L60 S61 V90 V102 V105 F115 S117 W127	L60-I68 HydrophobicContact CD2-CG2 4.38Å; S61-I68 WeakPolarHBondContact O-CA 3.49Å; I68-V90 HydrophobicContact CB-CB 4.15Å; I68-V90 HydrophobicContact CB-CG2 4.31Å; I68-V90 PolarHBondContact N-O 3.22Å; I68-V90 PolarHBondContact O-N 3.03Å; I68-V102 HydrophobicContact CG1-CG1 4.43Å; I68-V102 HydrophobicContact CG1-CG2 4.13Å; I68-V105 HydrophobicContact CG1-CG1 4.37Å; I68-V105 HydrophobicContact CG2-CG1 4.31Å; I68-F115 HydrophobicContact CD1-CE2 4.17Å; I68-F115 HydrophobicContact CG2-CE2 3.91Å; I68-F115 HydrophobicContact CG2-CZ 4.31Å; I68-S117 VanDerWaalsContact CD1-CB 3.4Å; I68-S117 WeakPolarHBondContact CD1-OG 3.42Å; I68-W127 HydrophobicContact CD1-CZ2 4.1Å
69	V	97.7	Very high	94.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.8	178.3	-173.1	0	0	0	0	109.4	I41 L60 S61 V67 Y71 P86 T89	I41-V69 HydrophobicContact CB-CG2 3.98Å; I41-V69 HydrophobicContact CD1-CG1 3.55Å; I41-V69 HydrophobicContact CD1-CG2 4.11Å; I41-V69 HydrophobicContact CG2-CG2 3.81Å; L60-V69 CarbonylContact C-O 3.54Å; L60-V69 WeakPolarHBondContact CA-O 3.4Å; S61-V69 PolarHBondContact N-O 3.43Å; S61-V69 PolarHBondContact O-N 2.77Å; V67-V69 HydrophobicContact CG1-CG2 3.92Å; V69-Y71 HydrophobicContact CB-CD2 4.24Å; V69-Y71 HydrophobicContact CB-CE2 3.64Å; V69-Y71 HydrophobicContact CG1-CD1 4.3Å; V69-Y71 HydrophobicContact CG1-CD2 3.82Å; V69-Y71 HydrophobicContact CG1-CE1 3.93Å; V69-Y71 HydrophobicContact CG1-CE2 3.4Å; V69-Y71 VanDerWaalsContact CG1-CE2 3.4Å; V69-Y71 HydrophobicContact CG1-CG 4.26Å; V69-Y71 VanDerWaalsContact CG1-CZ 3.47Å; V69-P86 HydrophobicContact CG1-CB 3.81Å; V69-T89 HydrophobicContact CG2-CG2 4.21Å
70	I	97.3	Very high	93.6	Very high	7 Å²	7	39 Å²	39	4%	0.036	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.8	169.4	-39.1	-165.2	0	0	0	107.7	M59 L60 P86 V87 R88 W107 F115	M59-I70 CarbonylContact O-C 3.59Å; M59-I70 WeakPolarHBondContact O-CA 3.35Å; L60-I70 HydrophobicContact CD2-CB 4.27Å; L60-I70 HydrophobicContact CD2-CD1 4.01Å; L60-I70 HydrophobicContact CD2-CG1 3.63Å; L60-I70 HydrophobicContact CD2-CG2 4.3Å; I70-P86 CarbonylContact O-C 3.49Å; I70-P86 WeakPolarHBondContact O-CA 3.46Å; I70-V87 PolarHBondContact O-N 3.45Å; I70-R88 HydrophobicContact CB-CB 4.1Å; I70-R88 HydrophobicContact CD1-CB 3.98Å; I70-R88 HydrophobicContact CG1-CB 3.9Å; I70-R88 PolarHBondContact N-O 2.93Å; I70-R88 PolarHBondContact O-N 3.14Å; I70-W107 HydrophobicContact CD1-CH2 4.47Å; I70-W107 HydrophobicContact CG2-CH2 3.9Å; I70-W107 HydrophobicContact CG2-CZ2 3.93Å; I70-F115 HydrophobicContact CD1-CE1 3.94Å
71	Y	97.2	Very high	93.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146	177.5	-65.8	-85.8	0	0	0	111.2	V38 D39 I41 Y58 M59 S61 V69 R85 P86 L360	V38-Y71 HydrophobicContact CG1-CD1 3.78Å; V38-Y71 HydrophobicContact CG1-CE1 3.6Å; V38-Y71 HydrophobicContact CG1-CE2 4.32Å; V38-Y71 HydrophobicContact CG1-CG 4.23Å; D39-Y71 HydrophobicContact CB-CE1 4.2Å; D39-Y71 VanDerWaalsContact O-CE1 3.28Å; D39-Y71 WeakPolarHBondContact O-CE1 3.13Å; D39-Y71 PolarHBondContact O-OH 3.45Å; I41-Y71 HydrophobicContact CD1-CE1 4.34Å; Y58-Y71 VanDerWaalsContact CA-O 3.3Å; Y58-Y71 WeakPolarHBondContact CA-O 3.35Å; M59-Y71 HydrophobicContact CE-CD2 3.76Å; M59-Y71 HydrophobicContact CE-CE2 4.41Å; M59-Y71 HydrophobicContact CE-CG 4.14Å; M59-Y71 PolarHBondContact N-O 3.28Å; M59-Y71 PolarHBondContact O-N 3.17Å; S61-Y71 VanDerWaalsContact OG-CE2 3.32Å; S61-Y71 WeakPolarHBondContact OG-CE2 3.39Å; V69-Y71 HydrophobicContact CB-CD2 4.24Å; V69-Y71 HydrophobicContact CB-CE2 3.64Å; V69-Y71 HydrophobicContact CG1-CD1 4.3Å; V69-Y71 HydrophobicContact CG1-CD2 3.82Å; V69-Y71 HydrophobicContact CG1-CE1 3.93Å; V69-Y71 HydrophobicContact CG1-CE2 3.4Å; V69-Y71 VanDerWaalsContact CG1-CE2 3.4Å; V69-Y71 HydrophobicContact CG1-CG 4.26Å; V69-Y71 VanDerWaalsContact CG1-CZ 3.47Å; Y71-R85 WeakPolarHBondContact CA-O 3.47Å; Y71-P86 HydrophobicContact CE1-CB 4.48Å; Y71-L360 HydrophobicContact CD2-CD1 4.22Å; Y71-L360 HydrophobicContact CE2-CD1 3.48Å; Y71-L360 VanDerWaalsContact CE2-CD1 3.48Å
72	D	95.6	Very high	93	Very high	21 Å²	21	46.7 Å²	46.7	11%	0.112	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.3	162.6	-169.4	-0.8	0	0	0	108	R57 Y58 E74 H76 C84 R85 V87	R57-D72 VanDerWaalsContact CG-OD1 3.26Å; R57-D72 WeakPolarHBondContact CG-OD1 3.5Å; R57-D72 IonicContact CZ-OD1 3.18Å; R57-D72 IonicContact CZ-OD2 3.92Å; R57-D72 IonicContact NE-OD1 3.44Å; R57-D72 PolarHBondContact NE-OD1 3Å; R57-D72 IonicContact NE-OD2 2.88Å; R57-D72 PolarHBondContact NE-OD2 3.26Å; R57-D72 IonicContact NH2-OD1 3.69Å; R57-D72 IonicContact NH2-OD2 2.71Å; R57-D72 PolarHBondContact NH2-OD2 2.99Å; Y58-D72 HydrophobicContact CD1-CB 4.41Å; Y58-D72 HydrophobicContact CE1-CB 4.3Å; D72-E74 WeakPolarHBondContact OD1-CB 3.42Å; D72-E74 PolarHBondContact OD1-N 3.33Å; D72-E74 VanDerWaalsContact OD1-N 3.14Å; D72-H76 IonicContact OD2-CD2 2.77Å; D72-H76 IonicContact OD2-CE1 3.43Å; D72-H76 IonicContact OD2-NE2 3.69Å; D72-H76 PolarHBondContact OD2-NE2 2.97Å; D72-C84 WeakPolarHBondContact O-CA 3.24Å; D72-C84 WeakPolarHBondContact O-CB 3.24Å; D72-R85 PolarHBondContact N-O 3.44Å; D72-V87 HydrophobicContact CB-CG2 3.66Å
73	L	94.3	Very high	92.8	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.037	27%	0.267	C	S	.	.			trans	-85.2	-13.3	-179.8	-59.4	-175.9	0	0	0	112.6	I51 R57 M59 Y82 C84 Y352	I51-L73 HydrophobicContact CG2-CD1 4.37Å; R57-L73 VanDerWaalsContact O-CB 3.28Å; R57-L73 WeakPolarHBondContact O-CB 3.43Å; R57-L73 WeakPolarHBondContact O-CG 3.44Å; R57-L73 PolarHBondContact O-N 3Å; M59-L73 HydrophobicContact CB-CD1 3.99Å; M59-L73 HydrophobicContact CB-CD2 3.85Å; M59-L73 HydrophobicContact CB-CG 3.97Å; M59-L73 HydrophobicContact CE-CD2 4.01Å; M59-L73 HydrophobicContact SD-CD2 4.15Å; L73-Y82 VanDerWaalsContact O-CE2 3.24Å; L73-Y82 WeakPolarHBondContact O-CE2 3.28Å; L73-Y82 PolarHBondContact O-OH 2.77Å; L73-C84 HydrophobicContact CD2-CB 4.31Å; L73-Y352 HydrophobicContact CD1-CE2 3.82Å; L73-Y352 HydrophobicContact CD2-CE1 3.82Å; L73-Y352 HydrophobicContact CD2-CE2 4.48Å
74	E	91.4	Very high	92.7	Very high	67 Å²	67	49.2 Å²	49.2	31%	0.313	27%	0.267	S	S	.	.	S	Bend	trans	-78.8	150	-176.6	-75.9	-67.5	165	0	0	112.9	R57 D72 Y348	R57-E74 HydrophobicContact CB-CG 4.35Å; R57-E74 HydrophobicContact CG-CB 4.4Å; R57-E74 HydrophobicContact CG-CG 3.73Å; D72-E74 WeakPolarHBondContact OD1-CB 3.42Å; D72-E74 PolarHBondContact OD1-N 3.33Å; D72-E74 VanDerWaalsContact OD1-N 3.14Å; E74-Y348 PolarHBondContact OE1-OH 2.94Å
75	N	90.3	Very high	92.6	Very high	49 Å²	49	56.5 Å²	56.5	26%	0.262	29%	0.288	S	S	.	.			trans	-100.4	103	-178.3	-176	1.8	0	0	0	111.8	S77 K79 Y82	N75-S77 WeakPolarHBondContact OD1-CB 3.21Å; N75-S77 PolarHBondContact OD1-N 2.94Å; N75-S77 PolarHBondContact OD1-OG 3.24Å; N75-K79 PolarHBondContact ND2-O 3.41Å; N75-Y82 HydrophobicContact CB-CD1 3.72Å; N75-Y82 HydrophobicContact CB-CD2 3.76Å; N75-Y82 HydrophobicContact CB-CE1 3.79Å; N75-Y82 HydrophobicContact CB-CE2 3.82Å; N75-Y82 HydrophobicContact CB-CG 3.7Å; N75-Y82 VanDerWaalsContact CG-CG 3.41Å; N75-Y82 VanDerWaalsContact ND2-CD1 3.31Å; N75-Y82 WeakPolarHBondContact ND2-CD1 3.17Å; N75-Y82 WeakPolarHBondContact OD1-CB 3.33Å
76	H	86.9	Confident	92.6	Very high	133 Å²	133	57.7 Å²	57.7	62%	0.616	30%	0.297	S	S	*	.			trans	-89.7	-4.3	177.1	-55.1	-71.9	0	0	0	113.9	R57 D72	R57-H76 PolarHBondContact NH2-CE1 3.31Å; R57-H76 VanDerWaalsContact NH2-CE1 3.28Å; R57-H76 PolarHBondContact NH2-NE2 3.26Å; D72-H76 IonicContact OD2-CD2 2.77Å; D72-H76 IonicContact OD2-CE1 3.43Å; D72-H76 IonicContact OD2-NE2 3.69Å; D72-H76 PolarHBondContact OD2-NE2 2.97Å
77	S	85.5	Confident	92.5	Very high	68 Å²	68	61.3 Å²	61.3	48%	0.476	32%	0.319	S	S	.	.	S	Bend	trans	-83.7	-18.3	-170.9	75.9	0	0	0	0	114.1	N75 K79	N75-S77 WeakPolarHBondContact OD1-CB 3.21Å; N75-S77 PolarHBondContact OD1-N 2.94Å; N75-S77 PolarHBondContact OD1-OG 3.24Å; S77-K79 PolarHBondContact O-N 2.88Å; S77-K79 PolarHBondContact OG-N 3.28Å
78	G	82.1	Confident	92.4	Very high	79 Å²	79	65.4 Å²	65.4	81%	0.814	33%	0.334	S	S	*	.	S	Bend	trans	70.9	-4.3	-173.2	0	0	0	0	0	115
79	K	88.9	Confident	92.3	Very high	151 Å²	151	68 Å²	68	66%	0.657	35%	0.349	S	S	*	.	S	Bend	trans	-89	151.4	173.7	-65.1	-178.5	178.7	-178.4	0	110.1	N75 S77 Q81	N75-K79 PolarHBondContact ND2-O 3.41Å; S77-K79 PolarHBondContact O-N 2.88Å; S77-K79 PolarHBondContact OG-N 3.28Å; K79-Q81 VanDerWaalsContact C-N 3.26Å; K79-Q81 PolarHBondContact O-N 3.37Å
80	Q	84.6	Confident	92.1	Very high	178 Å²	178	68.1 Å²	68.1	83%	0.832	35%	0.35	S	S	*	.	S	Bend	trans	-62.9	-36.7	174.1	-71.2	-176.2	-17.3	0	0	112.1
81	Q	90.8	Very high	91.9	Very high	125 Å²	125	68.4 Å²	68.4	58%	0.584	36%	0.355	S	S	*	.			trans	-85.1	127.6	175	-70.9	177.8	-10	0	0	111.5	D35 K79	D35-Q81 HydrophobicContact CB-CB 4.45Å; D35-Q81 HydrophobicContact CB-CG 3.58Å; D35-Q81 CarbonylContact O-C 3.59Å; D35-Q81 WeakPolarHBondContact O-CA 3.33Å; D35-Q81 VanDerWaalsContact OD1-CG 3.26Å; D35-Q81 WeakPolarHBondContact OD1-CG 3.41Å; D35-Q81 PolarHBondContact OD1-NE2 3.47Å; K79-Q81 VanDerWaalsContact C-N 3.26Å; K79-Q81 PolarHBondContact O-N 3.37Å
82	Y	93.3	Very high	91.5	Very high	38 Å²	38	77 Å²	77	15%	0.149	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	161.3	176	77.4	-75.4	0	0	0	112.4	D35 R36 D37 L73 N75	D35-Y82 PolarHBondContact O-N 2.91Å; R36-Y82 WeakPolarHBondContact CA-O 3.22Å; R36-Y82 HydrophobicContact CB-CE1 4.46Å; R36-Y82 WeakPolarHBondContact CD-OH 3.24Å; R36-Y82 HydrophobicContact CG-CE1 4.04Å; R36-Y82 HydrophobicContact CG-CE2 4.49Å; R36-Y82 PolarHBondContact NH1-OH 3.26Å; D37-Y82 PolarHBondContact N-O 2.88Å; L73-Y82 VanDerWaalsContact O-CE2 3.24Å; L73-Y82 WeakPolarHBondContact O-CE2 3.28Å; L73-Y82 PolarHBondContact O-OH 2.77Å; N75-Y82 HydrophobicContact CB-CD1 3.72Å; N75-Y82 HydrophobicContact CB-CD2 3.76Å; N75-Y82 HydrophobicContact CB-CE1 3.79Å; N75-Y82 HydrophobicContact CB-CE2 3.82Å; N75-Y82 HydrophobicContact CB-CG 3.7Å; N75-Y82 VanDerWaalsContact CG-CG 3.41Å; N75-Y82 VanDerWaalsContact ND2-CD1 3.31Å; N75-Y82 WeakPolarHBondContact ND2-CD1 3.17Å; N75-Y82 WeakPolarHBondContact OD1-CB 3.33Å
83	T	94.1	Very high	91.1	Very high	52 Å²	52	82 Å²	82	32%	0.319	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.1	177.2	-49.1	0	0	0	0	109.3	D37 D39 R85	D37-T83 HydrophobicContact CB-CG2 3.87Å; D37-T83 CarbonylContact O-C 3.57Å; D37-T83 WeakPolarHBondContact O-CA 3.24Å; D39-T83 HydrophobicContact CB-CG2 4.41Å; D39-T83 WeakPolarHBondContact OD1-CG2 3.33Å; T83-R85 PolarHBondContact O-N 3.26Å
84	C	94.6	Very high	90.9	Very high	1 Å²	1	83.2 Å²	83.2	1%	0.007	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	109.4	172.1	-53	0	0	0	0	108	D37 V38 D39 D72 L73	D37-C84 PolarHBondContact O-N 2.79Å; V38-C84 HydrophobicContact CB-CB 4.39Å; V38-C84 HydrophobicContact CG1-CB 4.25Å; V38-C84 HydrophobicContact CG2-CB 4.07Å; D39-C84 PolarHBondContact N-O 2.71Å; D72-C84 WeakPolarHBondContact O-CA 3.24Å; D72-C84 WeakPolarHBondContact O-CB 3.24Å; L73-C84 HydrophobicContact CD2-CB 4.31Å
85	R	93.6	Very high	90.8	Very high	182 Å²	182	91 Å²	91	69%	0.687	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	148.4	-174.1	-66.8	-174.8	-179.7	-178.7	0.1	111.2	Y71 D72 T83 V87	Y71-R85 WeakPolarHBondContact CA-O 3.47Å; D72-R85 PolarHBondContact N-O 3.44Å; T83-R85 PolarHBondContact O-N 3.26Å; R85-V87 PolarHBondContact O-N 2.7Å
86	P	95.2	Very high	90.8	Very high	44 Å²	44	91.7 Å²	91.7	29%	0.286	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.9	169.1	30.1	-34.9	0	0	0	110.3	D39 I41 V69 I70 Y71	D39-P86 WeakPolarHBondContact OD2-CD 3.46Å; I41-P86 HydrophobicContact CD1-CB 3.24Å; I41-P86 HydrophobicContact CD1-CG 3.34Å; I41-P86 HydrophobicContact CG1-CG 4.41Å; V69-P86 HydrophobicContact CG1-CB 3.81Å; I70-P86 CarbonylContact O-C 3.49Å; I70-P86 WeakPolarHBondContact O-CA 3.46Å; Y71-P86 HydrophobicContact CE1-CB 4.48Å
87	V	94.7	Very high	91.1	Very high	75 Å²	75	86.7 Å²	86.7	46%	0.455	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-43.3	167	-171.1	0	0	0	0	109.1	Y58 I70 D72 R85	Y58-V87 HydrophobicContact CD1-CG2 4.22Å; Y58-V87 HydrophobicContact CE1-CG2 4.1Å; I70-V87 PolarHBondContact O-N 3.45Å; D72-V87 HydrophobicContact CB-CG2 3.66Å; R85-V87 PolarHBondContact O-N 2.7Å
88	R	94.4	Very high	91.6	Very high	94 Å²	94	83.7 Å²	83.7	36%	0.355	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	142.9	-169.2	-80.4	-178	-167	-95.4	9.9	110.8	I70 T129 E130 L132	I70-R88 HydrophobicContact CB-CB 4.1Å; I70-R88 HydrophobicContact CD1-CB 3.98Å; I70-R88 HydrophobicContact CG1-CB 3.9Å; I70-R88 PolarHBondContact N-O 2.93Å; I70-R88 PolarHBondContact O-N 3.14Å; R88-T129 WeakPolarHBondContact CD-O 3.33Å; R88-T129 PolarHBondContact NE-O 3.27Å; R88-E130 PolarHBondContact NH1-O 3.32Å; R88-E130 PolarHBondContact NH2-O 3.49Å; R88-E130 VanDerWaalsContact NH2-O 3.08Å; R88-L132 HydrophobicContact CB-CD1 3.74Å; R88-L132 HydrophobicContact CB-CD2 4.25Å; R88-L132 HydrophobicContact CB-CG 4.31Å; R88-L132 HydrophobicContact CG-CD1 3.61Å; R88-L132 HydrophobicContact CG-CG 4.36Å
89	T	95.4	Very high	92.2	Very high	54 Å²	54	88.4 Å²	88.4	33%	0.331	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	121.2	-178.8	-59.3	0	0	0	0	110.6	I41 V67 V69 G91	I41-T89 HydrophobicContact CG2-CG2 3.94Å; V67-T89 HydrophobicContact CG1-CG2 3.88Å; V69-T89 HydrophobicContact CG2-CG2 4.21Å; T89-G91 PolarHBondContact O-N 3.35Å; T89-G91 VanDerWaalsContact O-N 3.1Å
90	V	95	Very high	92.5	Very high	3 Å²	3	87.3 Å²	87.3	2%	0.018	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	77.8	164.2	-173.5	0	0	0	0	107.7	I68 V97 W127 L132	I68-V90 HydrophobicContact CB-CB 4.15Å; I68-V90 HydrophobicContact CB-CG2 4.31Å; I68-V90 PolarHBondContact N-O 3.22Å; I68-V90 PolarHBondContact O-N 3.03Å; V90-V97 HydrophobicContact CG1-CB 4.39Å; V90-W127 HydrophobicContact CB-CH2 4.49Å; V90-W127 HydrophobicContact CG1-CH2 3.59Å; V90-W127 HydrophobicContact CG1-CZ2 4.31Å; V90-W127 HydrophobicContact CG1-CZ3 4.02Å; V90-W127 HydrophobicContact CG2-CE3 4.27Å; V90-W127 HydrophobicContact CG2-CH2 4.13Å; V90-W127 HydrophobicContact CG2-CZ3 3.92Å; V90-L132 HydrophobicContact CG2-CD2 3.4Å
91	G	91.7	Very high	93.1	Very high	13 Å²	13	79.4 Å²	79.4	13%	0.134	38%	0.376	C	S	.	.			trans	-81.4	175.7	-178.2	0	0	0	0	0	113.2	T89 S93 S94 V97	T89-G91 PolarHBondContact O-N 3.35Å; T89-G91 VanDerWaalsContact O-N 3.1Å; G91-S93 PolarHBondContact O-N 2.9Å; G91-S93 VanDerWaalsContact O-N 3.11Å; G91-S94 VanDerWaalsContact O-CB 3.25Å; G91-S94 WeakPolarHBondContact O-CB 3.36Å; G91-S94 PolarHBondContact O-N 2.95Å; G91-V97 WeakPolarHBondContact O-CB 3.31Å; G91-V97 WeakPolarHBondContact O-CG2 3.24Å
92	R	88.1	Confident	93.4	Very high	183 Å²	183	73.4 Å²	73.4	69%	0.691	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.9	179.1	-65.4	-175.9	179.3	179.3	2.9	114.6	V67 S94	V67-R92 HydrophobicContact CG2-CG 4.44Å; R92-S94 VanDerWaalsContact C-N 3.3Å
93	S	88.2	Confident	93.6	Very high	125 Å²	125	71.9 Å²	71.9	87%	0.874	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-17	175	52.9	0	0	0	0	113.2	G91	G91-S93 PolarHBondContact O-N 2.9Å; G91-S93 VanDerWaalsContact O-N 3.11Å
94	S	90.3	Very high	93.8	Very high	33 Å²	33	69.5 Å²	69.5	23%	0.231	33%	0.328	C	S	.	.	S	Bend	trans	-70.2	131.5	176.9	178.8	0	0	0	0	110.4	G91 R92 H96 V97	G91-S94 VanDerWaalsContact O-CB 3.25Å; G91-S94 WeakPolarHBondContact O-CB 3.36Å; G91-S94 PolarHBondContact O-N 2.95Å; R92-S94 VanDerWaalsContact C-N 3.3Å; S94-H96 PolarHBondContact O-N 2.96Å; S94-H96 PolarHBondContact OG-N 2.81Å; S94-V97 WeakPolarHBondContact O-CG1 3.03Å; S94-V97 PolarHBondContact O-N 2.82Å
95	R	88.6	Confident	93.9	Very high	231 Å²	231	69.7 Å²	69.7	87%	0.872	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.3	172.3	-178.9	176.6	177.7	-179.6	-2.1	112.7
96	H	90.5	Very high	94.1	Very high	63 Å²	63	61.9 Å²	61.9	29%	0.292	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	6	-172.2	-56.1	110.4	0	0	0	113.7	S94 K125 W127 P134	S94-H96 PolarHBondContact O-N 2.96Å; S94-H96 PolarHBondContact OG-N 2.81Å; H96-K125 PolarHBondContact O-NZ 2.84Å; H96-W127 HydrophobicContact CB-CH2 3.76Å; H96-W127 HydrophobicContact CB-CZ3 3.96Å; H96-W127 VanDerWaalsContact O-CH2 3.31Å; H96-W127 WeakPolarHBondContact O-CH2 3.28Å; H96-P134 HydrophobicContact CB-CG 3.69Å
97	V	93.8	Very high	94.2	Very high	29 Å²	29	60.3 Å²	60.3	18%	0.176	29%	0.288	C	S	.	.			trans	-55	150.8	179.2	71.8	0	0	0	0	111.9	G66 V90 G91 S94 K125	G66-V97 WeakPolarHBondContact O-CG2 3.37Å; V90-V97 HydrophobicContact CG1-CB 4.39Å; G91-V97 WeakPolarHBondContact O-CB 3.31Å; G91-V97 WeakPolarHBondContact O-CG2 3.24Å; S94-V97 WeakPolarHBondContact O-CG1 3.03Å; S94-V97 PolarHBondContact O-N 2.82Å; V97-K125 PolarHBondContact O-NZ 3.5Å; V97-K125 VanDerWaalsContact O-NZ 3.14Å
98	H	95.4	Very high	94.2	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.019	28%	0.275	C	S	.	.			trans	-71	141.1	170.6	-77.8	-71.7	0	0	0	110.7	G66 F100 V102 S117 S119 D121 T123	G66-H98 PolarHBondContact O-N 2.96Å; H98-F100 VanDerWaalsContact C-N 3.33Å; H98-V102 HydrophobicContact CB-CG2 3.91Å; H98-S117 PolarHBondContact NE2-OG 3.26Å; H98-S119 WeakPolarHBondContact ND1-CB 3.26Å; H98-D121 WeakPolarHBondContact CA-OD2 3.42Å; H98-D121 WeakPolarHBondContact CB-OD2 3.47Å; H98-D121 IonicContact CE1-OD2 3.75Å; H98-D121 IonicContact CG-OD2 3.51Å; H98-D121 IonicContact ND1-OD1 3.79Å; H98-D121 PolarHBondContact ND1-OD1 2.7Å; H98-D121 IonicContact ND1-OD2 2.73Å; H98-D121 PolarHBondContact ND1-OD2 2.82Å; H98-T123 PolarHBondContact CE1-OG1 3.19Å; H98-T123 VanDerWaalsContact CE1-OG1 3.26Å; H98-T123 PolarHBondContact ND1-OG1 2.8Å
99	K	94.1	Very high	94	Very high	179 Å²	179	55.2 Å²	55.2	78%	0.778	26%	0.264	S	S	*	.	S	Bend	trans	-77	-24.8	-178.2	-66.1	180	178.9	178.1	0	112.5	D121	K99-D121 HydrophobicContact CB-CB 3.93Å; K99-D121 PolarHBondContact N-OD2 2.89Å; K99-D121 VanDerWaalsContact N-OD2 3.08Å
100	F	95.9	Very high	93.7	Very high	128 Å²	128	56.6 Å²	56.6	56%	0.561	26%	0.264	S	S	*	.	S	Bend	trans	-135.4	177	-178.2	-66.1	-70.7	0	0	0	110.6	G66 H98 V102 S119 F120 D121	G66-F100 WeakPolarHBondContact CA-O 3.29Å; H98-F100 VanDerWaalsContact C-N 3.33Å; F100-V102 PolarHBondContact O-N 2.79Å; F100-S119 PolarHBondContact O-OG 3.36Å; F100-F120 HydrophobicContact CB-CB 3.91Å; F100-D121 HydrophobicContact CB-CB 4.35Å; F100-D121 HydrophobicContact CD2-CB 3.84Å
101	S	96.6	Very high	93.4	Very high	11 Å²	11	60 Å²	60	8%	0.077	28%	0.282	C	S	.	.			trans	-35.9	122.7	176.2	-169	0	0	0	0	113.8	N47 A64 E103 S119 F120 K295	N47-S101 PolarHBondContact ND2-OG 3.36Å; A64-S101 WeakPolarHBondContact CA-OG 3.41Å; A64-S101 WeakPolarHBondContact O-CA 3.47Å; S101-E103 WeakPolarHBondContact CB-OE1 3.4Å; S101-E103 PolarHBondContact OG-OE1 2.99Å; S101-S119 VanDerWaalsContact O-CA 3.25Å; S101-S119 WeakPolarHBondContact O-CA 3.29Å; S101-S119 WeakPolarHBondContact O-CB 3.47Å; S101-S119 PolarHBondContact O-OG 3.48Å; S101-F120 PolarHBondContact O-N 2.8Å; S101-K295 PolarHBondContact OG-NZ 3.16Å; S101-K295 VanDerWaalsContact OG-NZ 3.08Å
102	V	97.8	Very high	93.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.3	169.4	178.5	0	0	0	0	107.3	N47 G63 I68 H98 F100 V105	N47-V102 WeakPolarHBondContact CB-O 3.43Å; N47-V102 PolarHBondContact ND2-O 2.88Å; G63-V102 PolarHBondContact O-N 2.9Å; I68-V102 HydrophobicContact CG1-CG1 4.43Å; I68-V102 HydrophobicContact CG1-CG2 4.13Å; H98-V102 HydrophobicContact CB-CG2 3.91Å; F100-V102 PolarHBondContact O-N 2.79Å; V102-V105 HydrophobicContact CG1-CG1 3.56Å
103	E	97.3	Very high	93.5	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.023	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-32.5	-174	-63.8	-65.1	131.5	0	0	112.4	T48 S101 S118 F120 K295	T48-E103 WeakPolarHBondContact CB-O 3.2Å; S101-E103 WeakPolarHBondContact CB-OE1 3.4Å; S101-E103 PolarHBondContact OG-OE1 2.99Å; E103-S118 PolarHBondContact N-O 2.89Å; E103-F120 VanDerWaalsContact CD-CE1 3.46Å; E103-F120 HydrophobicContact CG-CD1 3.42Å; E103-F120 VanDerWaalsContact CG-CD1 3.42Å; E103-F120 HydrophobicContact CG-CE1 3.3Å; E103-F120 HydrophobicContact CG-CG 4.23Å; E103-F120 HydrophobicContact CG-CZ 3.98Å; E103-K295 IonicContact OE1-NZ 2.81Å; E103-K295 PolarHBondContact OE1-NZ 2.78Å; E103-K295 WeakPolarHBondContact OE2-CD 3.28Å; E103-K295 IonicContact OE2-NZ 3.36Å
104	T	97.8	Very high	93.8	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.4	175.2	63.2	0	0	0	0	110.2	S117 S118 H148	T104-S117 WeakPolarHBondContact O-CA 3.49Å; T104-S118 PolarHBondContact N-O 2.94Å; T104-S118 PolarHBondContact O-N 2.97Å; T104-S118 PolarHBondContact OG1-OG 3.19Å; T104-H148 PolarHBondContact O-CE1 2.99Å; T104-H148 PolarHBondContact OG1-CE1 3.48Å; T104-H148 PolarHBondContact OG1-N 2.99Å; T104-H148 VanDerWaalsContact OG1-N 3.15Å; T104-H148 PolarHBondContact OG1-ND1 3.32Å
105	V	97.8	Very high	94	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.5	167	-61	0	0	0	0	106.8	T48 D50 L60 I68 V102 V116	T48-V105 HydrophobicContact CG2-CB 4.31Å; T48-V105 HydrophobicContact CG2-CG1 4.07Å; T48-V105 HydrophobicContact CG2-CG2 3.79Å; T48-V105 PolarHBondContact OG1-N 2.95Å; D50-V105 HydrophobicContact CB-CG2 4.39Å; L60-V105 HydrophobicContact CB-CB 4.27Å; L60-V105 HydrophobicContact CB-CG2 3.68Å; I68-V105 HydrophobicContact CG1-CG1 4.37Å; I68-V105 HydrophobicContact CG2-CG1 4.31Å; V102-V105 HydrophobicContact CG1-CG1 3.56Å; V105-V116 CarbonylContact C-O 3.38Å; V105-V116 VanDerWaalsContact CA-O 3.31Å; V105-V116 WeakPolarHBondContact CA-O 3.17Å
106	Q	97.6	Very high	94.4	Very high	18 Å²	18	36.9 Å²	36.9	8%	0.084	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	132.3	177.7	-163.8	-178.7	3.5	0	0	110.5	D50 F115 V116 H149 L150	D50-Q106 VanDerWaalsContact OD2-CA 3.23Å; D50-Q106 WeakPolarHBondContact OD2-CA 3.45Å; D50-Q106 WeakPolarHBondContact OD2-CG 3.3Å; Q106-F115 CarbonylContact O-C 3.55Å; Q106-F115 WeakPolarHBondContact O-CA 3.37Å; Q106-F115 WeakPolarHBondContact O-CB 3.4Å; Q106-V116 PolarHBondContact N-O 2.56Å; Q106-V116 PolarHBondContact O-N 2.86Å; Q106-H149 PolarHBondContact NE2-CD2 3.04Å; Q106-H149 PolarHBondContact NE2-NE2 3.45Å; Q106-H149 VanDerWaalsContact OE1-CA 3.31Å; Q106-H149 PolarHBondContact OE1-CD2 2.9Å; Q106-L150 HydrophobicContact CB-CD1 4.26Å; Q106-L150 HydrophobicContact CG-CD1 4.4Å
107	W	97.1	Very high	94.7	Very high	10 Å²	10	33.9 Å²	33.9	4%	0.038	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	147	167.4	-71.5	104.2	0	0	0	110.7	D50 D52 L60 I70 P109 T112 F115 T129	D50-W107 PolarHBondContact O-NE1 3.06Å; D50-W107 PolarHBondContact OD2-N 3.29Å; D52-W107 HydrophobicContact CB-CD2 4.4Å; D52-W107 HydrophobicContact CB-CG 4.43Å; L60-W107 HydrophobicContact CD1-CD2 3.58Å; L60-W107 HydrophobicContact CD1-CE3 4.19Å; L60-W107 HydrophobicContact CD1-CG 3.77Å; L60-W107 HydrophobicContact CD1-CZ2 4.03Å; L60-W107 HydrophobicContact CD2-CH2 4.32Å; L60-W107 HydrophobicContact CD2-CZ2 3.95Å; L60-W107 HydrophobicContact CG-CD2 4.06Å; L60-W107 VanDerWaalsContact CG-CE2 3.42Å; L60-W107 HydrophobicContact CG-CG 4.48Å; L60-W107 HydrophobicContact CG-CH2 4.32Å; L60-W107 HydrophobicContact CG-CZ2 3.57Å; I70-W107 HydrophobicContact CD1-CH2 4.47Å; I70-W107 HydrophobicContact CG2-CH2 3.9Å; I70-W107 HydrophobicContact CG2-CZ2 3.93Å; W107-P109 WeakPolarHBondContact O-CD 3.27Å; W107-T112 VanDerWaalsContact CZ3-O 3.31Å; W107-T112 WeakPolarHBondContact CZ3-O 3.42Å; W107-F115 HydrophobicContact CE3-CB 4.23Å; W107-T129 HydrophobicContact CE3-CG2 4.47Å; W107-T129 HydrophobicContact CH2-CG2 4.27Å; W107-T129 HydrophobicContact CZ3-CG2 3.58Å
108	Y	94.3	Very high	94.8	Very high	42 Å²	42	32.5 Å²	32.5	17%	0.165	16%	0.156	C	C	.	.			trans	-69.1	123.3	168.9	-175.2	-100.3	0	0	0	108.8	Y110 D111 M114 L150 L174	Y108-Y110 AromaticContact CE1-CD2 3.94Å; Y108-Y110 HydrophobicContact CE1-CD2 3.94Å; Y108-Y110 HydrophobicContact CE1-CG 4.47Å; Y108-Y110 PolarHBondContact O-N 2.95Å; Y108-D111 HydrophobicContact CD1-CB 3.63Å; Y108-D111 HydrophobicContact CE1-CB 4.16Å; Y108-D111 PolarHBondContact O-N 2.89Å; Y108-M114 WeakPolarHBondContact CB-O 3.39Å; Y108-M114 HydrophobicContact CG-CB 4.5Å; Y108-M114 PolarHBondContact N-O 3.15Å; Y108-L150 HydrophobicContact CD2-CD2 3.64Å; Y108-L150 HydrophobicContact CE2-CD2 4Å; Y108-L174 HydrophobicContact CD2-CD2 3.76Å; Y108-L174 HydrophobicContact CE2-CD2 3.4Å; Y108-L174 VanDerWaalsContact CE2-CD2 3.4Å
109	P	91.2	Very high	94.8	Very high	21 Å²	21	32.3 Å²	32.3	14%	0.136	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-13.6	-164.8	-27.7	35.3	0	0	0	117.2	W107 L150	W107-P109 WeakPolarHBondContact O-CD 3.27Å; P109-L150 HydrophobicContact CG-CB 4Å
110	Y	88.8	Confident	94.9	Very high	83 Å²	83	25.6 Å²	25.6	33%	0.325	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-3.5	-175.8	-50.4	-68.3	0	0	0	114	Y108 P152 I153 A154	Y108-Y110 AromaticContact CE1-CD2 3.94Å; Y108-Y110 HydrophobicContact CE1-CD2 3.94Å; Y108-Y110 HydrophobicContact CE1-CG 4.47Å; Y108-Y110 PolarHBondContact O-N 2.95Å; Y110-P152 PolarHBondContact OH-O 3.38Å; Y110-I153 WeakPolarHBondContact OH-CA 3.34Å; Y110-I153 PolarHBondContact OH-N 2.79Å; Y110-I153 PolarHBondContact OH-O 3.22Å; Y110-A154 WeakPolarHBondContact CE2-O 3.35Å; Y110-A154 VanDerWaalsContact CZ-O 3.24Å; Y110-A154 PolarHBondContact OH-N 2.61Å; Y110-A154 PolarHBondContact OH-O 2.85Å
111	D	88.9	Confident	94.9	Very high	75 Å²	75	20.4 Å²	20.4	40%	0.401	10%	0.104	S	C	.	.			trans	-149.3	116.1	-174.6	-171.9	0.6	0	0	0	109.3	Y108 G113 M114	Y108-D111 HydrophobicContact CD1-CB 3.63Å; Y108-D111 HydrophobicContact CE1-CB 4.16Å; Y108-D111 PolarHBondContact O-N 2.89Å; D111-G113 PolarHBondContact O-N 3.45Å; D111-G113 PolarHBondContact OD1-N 3.03Å; D111-M114 PolarHBondContact O-N 2.82Å
112	T	89.9	Confident	94.8	Very high	44 Å²	44	22.9 Å²	22.9	27%	0.27	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.8	174.7	51.9	0	0	0	0	112.4	D52 I54 W107 M114 T129	D52-T112 VanDerWaalsContact CG-CG2 3.44Å; D52-T112 WeakPolarHBondContact OD1-CG2 3.42Å; D52-T112 WeakPolarHBondContact OD2-CG2 3.45Å; I54-T112 HydrophobicContact CB-CG2 4.13Å; I54-T112 HydrophobicContact CD1-CG2 3.98Å; I54-T112 HydrophobicContact CG1-CG2 4.38Å; W107-T112 VanDerWaalsContact CZ3-O 3.31Å; W107-T112 WeakPolarHBondContact CZ3-O 3.42Å; T112-M114 PolarHBondContact O-N 2.91Å; T112-T129 WeakPolarHBondContact O-CG2 3.5Å; T112-T129 PolarHBondContact O-OG1 3.19Å
113	G	92.3	Very high	94.6	Very high	16 Å²	16	24.2 Å²	24.2	17%	0.165	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.8	174.9	0	0	0	0	0	113.8	D111 T129	D111-G113 PolarHBondContact O-N 3.45Å; D111-G113 PolarHBondContact OD1-N 3.03Å; G113-T129 VanDerWaalsContact C-OG1 3.23Å; G113-T129 VanDerWaalsContact CA-OG1 3.3Å; G113-T129 WeakPolarHBondContact CA-OG1 3.15Å; G113-T129 WeakPolarHBondContact O-CB 3.44Å; G113-T129 VanDerWaalsContact O-CG2 3.32Å; G113-T129 WeakPolarHBondContact O-CG2 3.19Å; G113-T129 PolarHBondContact O-N 2.96Å; G113-T129 PolarHBondContact O-OG1 3.19Å
114	M	93.2	Very high	94.4	Very high	38 Å²	38	24 Å²	24	19%	0.187	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.6	-171.9	-64.2	179.6	62.6	0	0	113.6	Y108 D111 T112 V126 W127 F135 L174	Y108-M114 WeakPolarHBondContact CB-O 3.39Å; Y108-M114 HydrophobicContact CG-CB 4.5Å; Y108-M114 PolarHBondContact N-O 3.15Å; D111-M114 PolarHBondContact O-N 2.82Å; T112-M114 PolarHBondContact O-N 2.91Å; M114-V126 HydrophobicContact CE-CG1 3.38Å; M114-W127 VanDerWaalsContact CA-O 3.28Å; M114-W127 WeakPolarHBondContact CA-O 3.34Å; M114-F135 HydrophobicContact CE-CD2 4.42Å; M114-F135 HydrophobicContact CE-CE2 3.91Å; M114-L174 HydrophobicContact CE-CD2 4.2Å
115	F	95.7	Very high	94.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.7	167	68.9	-88.6	0	0	0	111.9	L60 I68 I70 Q106 W107 W127 T129	L60-F115 HydrophobicContact CD1-CB 3.47Å; L60-F115 VanDerWaalsContact CD1-CB 3.47Å; L60-F115 HydrophobicContact CD1-CD1 4.44Å; L60-F115 HydrophobicContact CD1-CD2 4.03Å; L60-F115 HydrophobicContact CD1-CG 3.75Å; L60-F115 HydrophobicContact CD2-CD1 4.27Å; L60-F115 HydrophobicContact CD2-CD2 4.31Å; L60-F115 HydrophobicContact CD2-CE1 4.48Å; L60-F115 HydrophobicContact CD2-CG 4.19Å; I68-F115 HydrophobicContact CD1-CE2 4.17Å; I68-F115 HydrophobicContact CG2-CE2 3.91Å; I68-F115 HydrophobicContact CG2-CZ 4.31Å; I70-F115 HydrophobicContact CD1-CE1 3.94Å; Q106-F115 CarbonylContact O-C 3.55Å; Q106-F115 WeakPolarHBondContact O-CA 3.37Å; Q106-F115 WeakPolarHBondContact O-CB 3.4Å; W107-F115 HydrophobicContact CE3-CB 4.23Å; F115-W127 HydrophobicContact CD1-CB 3.79Å; F115-W127 HydrophobicContact CD2-CB 3.99Å; F115-W127 AromaticContact CD2-CD1 3.61Å; F115-W127 AromaticContact CD2-CG 3.98Å; F115-W127 HydrophobicContact CD2-CG 3.98Å; F115-W127 HydrophobicContact CE1-CB 3.41Å; F115-W127 VanDerWaalsContact CE1-CB 3.41Å; F115-W127 HydrophobicContact CE1-CG 4.03Å; F115-W127 HydrophobicContact CE2-CB 3.61Å; F115-W127 AromaticContact CE2-CD1 3.19Å; F115-W127 HydrophobicContact CE2-CD2 4.07Å; F115-W127 AromaticContact CE2-CG 3.34Å; F115-W127 HydrophobicContact CE2-CG 3.34Å; F115-W127 AromaticContact CE2-NE1 3.8Å; F115-W127 HydrophobicContact CG-CB 4.07Å; F115-W127 HydrophobicContact CZ-CB 3.31Å; F115-W127 AromaticContact CZ-CD1 3.76Å; F115-W127 AromaticContact CZ-CD2 3.94Å; F115-W127 HydrophobicContact CZ-CD2 3.94Å; F115-W127 AromaticContact CZ-CG 3.37Å; F115-W127 HydrophobicContact CZ-CG 3.37Å; F115-W127 PolarHBondContact N-O 2.97Å; F115-W127 VanDerWaalsContact N-O 3.13Å; F115-W127 PolarHBondContact O-N 3.34Å; F115-T129 HydrophobicContact CD1-CG2 3.47Å; F115-T129 VanDerWaalsContact CD1-CG2 3.47Å; F115-T129 HydrophobicContact CE1-CG2 3.92Å
116	V	95.9	Very high	94.1	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.9	-179.8	-174.9	0	0	0	0	109.3	V105 Q106 M124 K125 V126 H148 L150 I160	V105-V116 CarbonylContact C-O 3.38Å; V105-V116 VanDerWaalsContact CA-O 3.31Å; V105-V116 WeakPolarHBondContact CA-O 3.17Å; Q106-V116 PolarHBondContact N-O 2.56Å; Q106-V116 PolarHBondContact O-N 2.86Å; V116-M124 HydrophobicContact CG1-CG 3.58Å; V116-M124 HydrophobicContact CG1-SD 3.84Å; V116-K125 WeakPolarHBondContact CA-O 3.28Å; V116-V126 HydrophobicContact CG2-CG2 4.22Å; V116-H148 PolarHBondContact O-CE1 2.97Å; V116-H148 PolarHBondContact O-NE2 2.69Å; V116-L150 HydrophobicContact CB-CD1 4.11Å; V116-L150 HydrophobicContact CG2-CD1 3.9Å; V116-L150 HydrophobicContact CG2-CD2 4.43Å; V116-I160 HydrophobicContact CG1-CD1 4.35Å; V116-I160 HydrophobicContact CG2-CD1 4.09Å
117	S	96.8	Very high	94	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147	172.5	66.9	0	0	0	0	110.7	I68 H98 T104 M124 K125 W127	I68-S117 VanDerWaalsContact CD1-CB 3.4Å; I68-S117 WeakPolarHBondContact CD1-OG 3.42Å; H98-S117 PolarHBondContact NE2-OG 3.26Å; T104-S117 WeakPolarHBondContact O-CA 3.49Å; S117-M124 CarbonylContact O-C 3.56Å; S117-M124 VanDerWaalsContact O-CA 3.26Å; S117-M124 WeakPolarHBondContact O-CA 3.33Å; S117-M124 WeakPolarHBondContact O-CG 3.4Å; S117-K125 PolarHBondContact N-O 3.21Å; S117-K125 PolarHBondContact O-N 2.85Å; S117-W127 PolarHBondContact OG-NE1 3.32Å
118	S	96.2	Very high	93.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145.2	170.2	63.5	0	0	0	0	112.5	E103 T104 T123 V145 H148	E103-S118 PolarHBondContact N-O 2.89Å; T104-S118 PolarHBondContact N-O 2.94Å; T104-S118 PolarHBondContact O-N 2.97Å; T104-S118 PolarHBondContact OG1-OG 3.19Å; S118-T123 WeakPolarHBondContact CA-O 3.23Å; S118-V145 VanDerWaalsContact CB-CG1 3.48Å; S118-H148 VanDerWaalsContact CB-ND1 3.27Å; S118-H148 WeakPolarHBondContact CB-ND1 3.4Å; S118-H148 PolarHBondContact OG-ND1 2.9Å
119	S	96.4	Very high	93.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	161.9	-169.9	169.3	0	0	0	0	113	H98 F100 S101 D121 K122 T123 V145	H98-S119 WeakPolarHBondContact ND1-CB 3.26Å; F100-S119 PolarHBondContact O-OG 3.36Å; S101-S119 VanDerWaalsContact O-CA 3.25Å; S101-S119 WeakPolarHBondContact O-CA 3.29Å; S101-S119 WeakPolarHBondContact O-CB 3.47Å; S101-S119 PolarHBondContact O-OG 3.48Å; S119-D121 VanDerWaalsContact CB-OD1 3.3Å; S119-D121 WeakPolarHBondContact CB-OD1 3.5Å; S119-D121 PolarHBondContact O-N 2.84Å; S119-D121 PolarHBondContact OG-N 3.33Å; S119-D121 PolarHBondContact OG-OD1 2.94Å; S119-K122 PolarHBondContact O-N 3.06Å; S119-T123 PolarHBondContact N-O 3.27Å; S119-T123 VanDerWaalsContact N-O 3.1Å; S119-V145 PolarHBondContact O-N 3.17Å
120	F	96.3	Very high	93.7	Very high	37 Å²	37	30.6 Å²	30.6	16%	0.162	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-7.9	166.8	-80.2	6.8	0	0	0	114.3	F100 S101 E103 K122 N144 V145 Y146 K295	F100-F120 HydrophobicContact CB-CB 3.91Å; S101-F120 PolarHBondContact O-N 2.8Å; E103-F120 VanDerWaalsContact CD-CE1 3.46Å; E103-F120 HydrophobicContact CG-CD1 3.42Å; E103-F120 VanDerWaalsContact CG-CD1 3.42Å; E103-F120 HydrophobicContact CG-CE1 3.3Å; E103-F120 HydrophobicContact CG-CG 4.23Å; E103-F120 HydrophobicContact CG-CZ 3.98Å; F120-K122 PolarHBondContact O-N 2.73Å; F120-K122 VanDerWaalsContact O-N 3.12Å; F120-N144 HydrophobicContact CD1-CB 3.83Å; F120-N144 HydrophobicContact CE1-CB 4.22Å; F120-N144 HydrophobicContact CG-CB 4.23Å; F120-V145 WeakPolarHBondContact CD1-O 3.37Å; F120-Y146 AromaticContact CE1-CD1 3.6Å; F120-Y146 HydrophobicContact CE1-CD1 3.6Å; F120-Y146 AromaticContact CE1-CE1 3.71Å; F120-Y146 HydrophobicContact CE1-CE1 3.71Å; F120-Y146 HydrophobicContact CE1-CG 4.27Å; F120-Y146 AromaticContact CZ-CD1 3.8Å; F120-Y146 HydrophobicContact CZ-CD1 3.8Å; F120-Y146 AromaticContact CZ-CE1 3.56Å; F120-Y146 HydrophobicContact CZ-CE1 3.56Å; F120-K295 HydrophobicContact CE2-CD 4.48Å; F120-K295 HydrophobicContact CZ-CD 4.35Å; F120-K295 HydrophobicContact CZ-CG 4.2Å
121	D	94.5	Very high	93.7	Very high	19 Å²	19	30 Å²	30	10%	0.102	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	7.1	167	72.1	8.3	0	0	0	114.2	H98 K99 F100 S119 T123	H98-D121 WeakPolarHBondContact CA-OD2 3.42Å; H98-D121 WeakPolarHBondContact CB-OD2 3.47Å; H98-D121 IonicContact CE1-OD2 3.75Å; H98-D121 IonicContact CG-OD2 3.51Å; H98-D121 IonicContact ND1-OD1 3.79Å; H98-D121 PolarHBondContact ND1-OD1 2.7Å; H98-D121 IonicContact ND1-OD2 2.73Å; H98-D121 PolarHBondContact ND1-OD2 2.82Å; K99-D121 HydrophobicContact CB-CB 3.93Å; K99-D121 PolarHBondContact N-OD2 2.89Å; K99-D121 VanDerWaalsContact N-OD2 3.08Å; F100-D121 HydrophobicContact CB-CB 4.35Å; F100-D121 HydrophobicContact CD2-CB 3.84Å; S119-D121 VanDerWaalsContact CB-OD1 3.3Å; S119-D121 WeakPolarHBondContact CB-OD1 3.5Å; S119-D121 PolarHBondContact O-N 2.84Å; S119-D121 PolarHBondContact OG-N 3.33Å; S119-D121 PolarHBondContact OG-OD1 2.94Å; D121-T123 VanDerWaalsContact CG-OG1 3.25Å; D121-T123 PolarHBondContact O-N 3.36Å; D121-T123 WeakPolarHBondContact OD1-CA 3.37Å; D121-T123 VanDerWaalsContact OD1-CB 3.3Å; D121-T123 WeakPolarHBondContact OD1-CB 3.42Å; D121-T123 PolarHBondContact OD1-N 2.89Å; D121-T123 PolarHBondContact OD1-OG1 2.74Å; D121-T123 PolarHBondContact OD2-OG1 3.24Å
122	K	94.6	Very high	93.7	Very high	64 Å²	64	28.1 Å²	28.1	28%	0.278	15%	0.149	S	C	.	.	S	Bend	trans	66	20.5	179.8	-40.8	-178.1	-179.9	-173.1	0	112.6	S119 F120 Y140 F141 E142 G143	S119-K122 PolarHBondContact O-N 3.06Å; F120-K122 PolarHBondContact O-N 2.73Å; F120-K122 VanDerWaalsContact O-N 3.12Å; K122-Y140 HydrophobicContact CB-CD2 4.47Å; K122-Y140 HydrophobicContact CB-CE2 4.14Å; K122-Y140 HydrophobicContact CD-CE2 4.25Å; K122-F141 VanDerWaalsContact CB-O 3.3Å; K122-F141 WeakPolarHBondContact CB-O 3.37Å; K122-F141 WeakPolarHBondContact O-CD2 3.37Å; K122-F141 PolarHBondContact O-N 3.39Å; K122-E142 PolarHBondContact NZ-O 3.28Å; K122-E142 VanDerWaalsContact NZ-O 3.1Å; K122-G143 WeakPolarHBondContact CB-O 3.43Å
123	T	93.8	Very high	93.7	Very high	27 Å²	27	32.1 Å²	32.1	17%	0.166	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	146	176.3	73.4	0	0	0	0	111.5	H98 S118 S119 D121 H139	H98-T123 PolarHBondContact CE1-OG1 3.19Å; H98-T123 VanDerWaalsContact CE1-OG1 3.26Å; H98-T123 PolarHBondContact ND1-OG1 2.8Å; S118-T123 WeakPolarHBondContact CA-O 3.23Å; S119-T123 PolarHBondContact N-O 3.27Å; S119-T123 VanDerWaalsContact N-O 3.1Å; D121-T123 VanDerWaalsContact CG-OG1 3.25Å; D121-T123 PolarHBondContact O-N 3.36Å; D121-T123 WeakPolarHBondContact OD1-CA 3.37Å; D121-T123 VanDerWaalsContact OD1-CB 3.3Å; D121-T123 WeakPolarHBondContact OD1-CB 3.42Å; D121-T123 PolarHBondContact OD1-N 2.89Å; D121-T123 PolarHBondContact OD1-OG1 2.74Å; D121-T123 PolarHBondContact OD2-OG1 3.24Å; T123-H139 WeakPolarHBondContact CA-O 3.42Å
124	M	94.3	Very high	93.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.3	159.1	-176.4	-178.6	74.2	0	0	107.8	V116 S117 H139 F141 H148 I160 V162 C172	V116-M124 HydrophobicContact CG1-CG 3.58Å; V116-M124 HydrophobicContact CG1-SD 3.84Å; S117-M124 CarbonylContact O-C 3.56Å; S117-M124 VanDerWaalsContact O-CA 3.26Å; S117-M124 WeakPolarHBondContact O-CA 3.33Å; S117-M124 WeakPolarHBondContact O-CG 3.4Å; M124-H139 WeakPolarHBondContact CE-CD2 3.27Å; M124-H139 PolarHBondContact N-O 2.88Å; M124-H139 VanDerWaalsContact N-O 3.09Å; M124-H139 PolarHBondContact O-N 2.57Å; M124-H139 VanDerWaalsContact O-N 3.08Å; M124-F141 HydrophobicContact CB-CE2 3.64Å; M124-F141 HydrophobicContact CB-CZ 4.28Å; M124-H148 HydrophobicContact SD-CB 4.16Å; M124-I160 HydrophobicContact CE-CB 4.31Å; M124-I160 HydrophobicContact CE-CD1 3.88Å; M124-I160 HydrophobicContact CE-CG2 4.19Å; M124-I160 HydrophobicContact SD-CB 4.46Å; M124-I160 HydrophobicContact SD-CD1 4.35Å; M124-I160 HydrophobicContact SD-CG2 3.7Å; M124-V162 HydrophobicContact CE-CG2 4.2Å; M124-V162 HydrophobicContact SD-CG2 3.64Å; M124-C172 HydrophobicContact CE-CB 4.05Å
125	K	94.3	Very high	93.1	Very high	28 Å²	28	35.8 Å²	35.8	12%	0.122	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.5	-179	-67.4	175.6	-172.9	159.1	0	109.2	H96 V97 V116 S117 W127 P134	H96-K125 PolarHBondContact O-NZ 2.84Å; V97-K125 PolarHBondContact O-NZ 3.5Å; V97-K125 VanDerWaalsContact O-NZ 3.14Å; V116-K125 WeakPolarHBondContact CA-O 3.28Å; S117-K125 PolarHBondContact N-O 3.21Å; S117-K125 PolarHBondContact O-N 2.85Å; K125-W127 HydrophobicContact CB-CZ2 4.04Å; K125-W127 HydrophobicContact CD-CH2 4.25Å; K125-W127 HydrophobicContact CD-CZ2 3.59Å; K125-W127 HydrophobicContact CG-CZ2 4.47Å; K125-P134 HydrophobicContact CB-CB 4.29Å; K125-P134 HydrophobicContact CD-CB 4.46Å
126	V	94.2	Very high	91.3	Very high	13 Å²	13	43.7 Å²	43.7	8%	0.079	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.9	171.7	-178.8	0	0	0	0	106.3	M114 V116 P134 F135 L174	M114-V126 HydrophobicContact CE-CG1 3.38Å; V116-V126 HydrophobicContact CG2-CG2 4.22Å; V126-P134 CarbonylContact O-C 3.44Å; V126-P134 WeakPolarHBondContact O-CA 3.11Å; V126-F135 HydrophobicContact CB-CD2 4.29Å; V126-F135 HydrophobicContact CG1-CD2 3.87Å; V126-F135 HydrophobicContact CG1-CE2 4.42Å; V126-F135 PolarHBondContact O-N 2.89Å; V126-L174 HydrophobicContact CB-CD1 4.24Å; V126-L174 HydrophobicContact CG1-CD1 3.78Å; V126-L174 HydrophobicContact CG2-CD1 3.54Å
127	W	94.6	Very high	89.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.1	-171.7	-60.7	87.1	0	0	0	110.7	I68 V90 H96 M114 F115 S117 K125 L132 P134	I68-W127 HydrophobicContact CD1-CZ2 4.1Å; V90-W127 HydrophobicContact CB-CH2 4.49Å; V90-W127 HydrophobicContact CG1-CH2 3.59Å; V90-W127 HydrophobicContact CG1-CZ2 4.31Å; V90-W127 HydrophobicContact CG1-CZ3 4.02Å; V90-W127 HydrophobicContact CG2-CE3 4.27Å; V90-W127 HydrophobicContact CG2-CH2 4.13Å; V90-W127 HydrophobicContact CG2-CZ3 3.92Å; H96-W127 HydrophobicContact CB-CH2 3.76Å; H96-W127 HydrophobicContact CB-CZ3 3.96Å; H96-W127 VanDerWaalsContact O-CH2 3.31Å; H96-W127 WeakPolarHBondContact O-CH2 3.28Å; M114-W127 VanDerWaalsContact CA-O 3.28Å; M114-W127 WeakPolarHBondContact CA-O 3.34Å; F115-W127 HydrophobicContact CD1-CB 3.79Å; F115-W127 HydrophobicContact CD2-CB 3.99Å; F115-W127 AromaticContact CD2-CD1 3.61Å; F115-W127 AromaticContact CD2-CG 3.98Å; F115-W127 HydrophobicContact CD2-CG 3.98Å; F115-W127 HydrophobicContact CE1-CB 3.41Å; F115-W127 VanDerWaalsContact CE1-CB 3.41Å; F115-W127 HydrophobicContact CE1-CG 4.03Å; F115-W127 HydrophobicContact CE2-CB 3.61Å; F115-W127 AromaticContact CE2-CD1 3.19Å; F115-W127 HydrophobicContact CE2-CD2 4.07Å; F115-W127 AromaticContact CE2-CG 3.34Å; F115-W127 HydrophobicContact CE2-CG 3.34Å; F115-W127 AromaticContact CE2-NE1 3.8Å; F115-W127 HydrophobicContact CG-CB 4.07Å; F115-W127 HydrophobicContact CZ-CB 3.31Å; F115-W127 AromaticContact CZ-CD1 3.76Å; F115-W127 AromaticContact CZ-CD2 3.94Å; F115-W127 HydrophobicContact CZ-CD2 3.94Å; F115-W127 AromaticContact CZ-CG 3.37Å; F115-W127 HydrophobicContact CZ-CG 3.37Å; F115-W127 PolarHBondContact N-O 2.97Å; F115-W127 VanDerWaalsContact N-O 3.13Å; F115-W127 PolarHBondContact O-N 3.34Å; S117-W127 PolarHBondContact OG-NE1 3.32Å; K125-W127 HydrophobicContact CB-CZ2 4.04Å; K125-W127 HydrophobicContact CD-CH2 4.25Å; K125-W127 HydrophobicContact CD-CZ2 3.59Å; K125-W127 HydrophobicContact CG-CZ2 4.47Å; W127-L132 WeakPolarHBondContact CZ3-O 3.3Å; W127-P134 HydrophobicContact CD2-CB 4.31Å; W127-P134 HydrophobicContact CE3-CB 4.16Å; W127-P134 HydrophobicContact CH2-CB 4.47Å; W127-P134 HydrophobicContact CZ3-CB 4.25Å; W127-P134 HydrophobicContact CZ3-CG 4.27Å
128	D	93.8	Very high	88.2	Confident	34 Å²	34	52.8 Å²	52.8	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.3	159.4	169.7	7.9	0	0	0	108.7	E130 T131 L132 K133 F135	D128-E130 PolarHBondContact OD1-N 3.41Å; D128-T131 WeakPolarHBondContact CB-OG1 3.47Å; D128-T131 VanDerWaalsContact CG-OG1 3.24Å; D128-T131 WeakPolarHBondContact OD2-CB 3.32Å; D128-T131 WeakPolarHBondContact OD2-CG2 3.47Å; D128-T131 PolarHBondContact OD2-OG1 3.24Å; D128-L132 WeakPolarHBondContact O-CA 3.41Å; D128-L132 PolarHBondContact O-N 2.83Å; D128-K133 PolarHBondContact N-O 3.37Å; D128-F135 HydrophobicContact CB-CE2 4.03Å; D128-F135 HydrophobicContact CB-CZ 4.39Å
129	T	92.5	Very high	87	Confident	18 Å²	18	53.3 Å²	53.3	11%	0.11	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-30.9	-176.3	58.9	0	0	0	0	112.7	R88 W107 T112 G113 F115	R88-T129 WeakPolarHBondContact CD-O 3.33Å; R88-T129 PolarHBondContact NE-O 3.27Å; W107-T129 HydrophobicContact CE3-CG2 4.47Å; W107-T129 HydrophobicContact CH2-CG2 4.27Å; W107-T129 HydrophobicContact CZ3-CG2 3.58Å; T112-T129 WeakPolarHBondContact O-CG2 3.5Å; T112-T129 PolarHBondContact O-OG1 3.19Å; G113-T129 VanDerWaalsContact C-OG1 3.23Å; G113-T129 VanDerWaalsContact CA-OG1 3.3Å; G113-T129 WeakPolarHBondContact CA-OG1 3.15Å; G113-T129 WeakPolarHBondContact O-CB 3.44Å; G113-T129 VanDerWaalsContact O-CG2 3.32Å; G113-T129 WeakPolarHBondContact O-CG2 3.19Å; G113-T129 PolarHBondContact O-N 2.96Å; G113-T129 PolarHBondContact O-OG1 3.19Å; F115-T129 HydrophobicContact CD1-CG2 3.47Å; F115-T129 VanDerWaalsContact CD1-CG2 3.47Å; F115-T129 HydrophobicContact CE1-CG2 3.92Å
130	E	90.1	Very high	86.5	Confident	146 Å²	146	59.6 Å²	59.6	68%	0.682	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-45.7	-179.3	-64.2	-168.2	165.3	0	0	110.6	R88 D128	R88-E130 PolarHBondContact NH1-O 3.32Å; R88-E130 PolarHBondContact NH2-O 3.49Å; R88-E130 VanDerWaalsContact NH2-O 3.08Å; D128-E130 PolarHBondContact OD1-N 3.41Å
131	T	89.8	Confident	86.2	Confident	71 Å²	71	57.9 Å²	57.9	44%	0.436	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-15.7	-176.5	67.5	0	0	0	0	114.1	D128 K133	D128-T131 WeakPolarHBondContact CB-OG1 3.47Å; D128-T131 VanDerWaalsContact CG-OG1 3.24Å; D128-T131 WeakPolarHBondContact OD2-CB 3.32Å; D128-T131 WeakPolarHBondContact OD2-CG2 3.47Å; D128-T131 PolarHBondContact OD2-OG1 3.24Å; T131-K133 PolarHBondContact O-N 3.19Å
132	L	89.4	Confident	85.8	Confident	35 Å²	35	63.6 Å²	63.6	18%	0.183	32%	0.316	C	S	.	.			trans	54.3	27.4	-173.5	-86.1	155.1	0	0	0	113.4	R88 V90 W127 D128	R88-L132 HydrophobicContact CB-CD1 3.74Å; R88-L132 HydrophobicContact CB-CD2 4.25Å; R88-L132 HydrophobicContact CB-CG 4.31Å; R88-L132 HydrophobicContact CG-CD1 3.61Å; R88-L132 HydrophobicContact CG-CG 4.36Å; V90-L132 HydrophobicContact CG2-CD2 3.4Å; W127-L132 WeakPolarHBondContact CZ3-O 3.3Å; D128-L132 WeakPolarHBondContact O-CA 3.41Å; D128-L132 PolarHBondContact O-N 2.83Å
133	K	89.3	Confident	85.6	Confident	128 Å²	128	60.8 Å²	60.8	56%	0.557	31%	0.306	S	S	*	.			trans	-105	136.8	176	-69.1	175.4	-174.9	173.9	0	108.9	D128 T131	D128-K133 PolarHBondContact N-O 3.37Å; T131-K133 PolarHBondContact O-N 3.19Å
134	P	88.7	Confident	85.7	Confident	27 Å²	27	61.8 Å²	61.8	18%	0.175	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-71.1	148.1	169.6	34.5	-36.1	0	0	0	109.1	H96 K125 V126 W127	H96-P134 HydrophobicContact CB-CG 3.69Å; K125-P134 HydrophobicContact CB-CB 4.29Å; K125-P134 HydrophobicContact CD-CB 4.46Å; V126-P134 CarbonylContact O-C 3.44Å; V126-P134 WeakPolarHBondContact O-CA 3.11Å; W127-P134 HydrophobicContact CD2-CB 4.31Å; W127-P134 HydrophobicContact CE3-CB 4.16Å; W127-P134 HydrophobicContact CH2-CB 4.47Å; W127-P134 HydrophobicContact CZ3-CB 4.25Å; W127-P134 HydrophobicContact CZ3-CG 4.27Å
135	F	83.6	Confident	85.8	Confident	104 Å²	104	61.8 Å²	61.8	46%	0.456	31%	0.31	S	S	.	.			trans	-65.3	147.6	164.8	-73.2	-89.5	0	0	0	110.1	M114 V126 D128 F137	M114-F135 HydrophobicContact CE-CD2 4.42Å; M114-F135 HydrophobicContact CE-CE2 3.91Å; V126-F135 HydrophobicContact CB-CD2 4.29Å; V126-F135 HydrophobicContact CG1-CD2 3.87Å; V126-F135 HydrophobicContact CG1-CE2 4.42Å; V126-F135 PolarHBondContact O-N 2.89Å; D128-F135 HydrophobicContact CB-CE2 4.03Å; D128-F135 HydrophobicContact CB-CZ 4.39Å; F135-F137 PolarHBondContact O-N 3.32Å
136	D	58.9	Low	85.9	Confident	165 Å²	165	61.8 Å²	61.8	88%	0.882	31%	0.309	S	S	*	.	S	Bend	trans	-68.4	-5.5	-168.6	-137.8	2.8	0	0	0	114.2	G138	D136-G138 VanDerWaalsContact C-N 3.34Å; D136-G138 PolarHBondContact O-N 3.43Å
137	F	63.5	Low	86	Confident	148 Å²	148	61.2 Å²	61.2	65%	0.649	31%	0.305	S	S	*	.			trans	-93.2	44.8	177.8	-61.3	-74.9	0	0	0	113.2	F135 H139	F135-F137 PolarHBondContact O-N 3.32Å; F137-H139 PolarHBondContact O-N 2.99Å
138	G	62.5	Low	86.2	Confident	45 Å²	45	61.2 Å²	61.2	46%	0.464	31%	0.306	S	S	.	.			trans	-54.3	113.8	173.3	0	0	0	0	0	111	D136 Y140	D136-G138 VanDerWaalsContact C-N 3.34Å; D136-G138 PolarHBondContact O-N 3.43Å; G138-Y140 PolarHBondContact O-N 2.89Å
139	H	72.9	Confident	86.4	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.046	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	116	-176.8	-61.6	-84	0	0	0	109.8	T123 M124 F137 F141 G177	T123-H139 WeakPolarHBondContact CA-O 3.42Å; M124-H139 WeakPolarHBondContact CE-CD2 3.27Å; M124-H139 PolarHBondContact N-O 2.88Å; M124-H139 VanDerWaalsContact N-O 3.09Å; M124-H139 PolarHBondContact O-N 2.57Å; M124-H139 VanDerWaalsContact O-N 3.08Å; F137-H139 PolarHBondContact O-N 2.99Å; H139-F141 HydrophobicContact CB-CE2 3.67Å; H139-F141 HydrophobicContact CB-CZ 3.72Å; H139-F141 WeakPolarHBondContact O-CD2 3.33Å; H139-F141 VanDerWaalsContact O-CE2 3.25Å; H139-F141 WeakPolarHBondContact O-CE2 3.47Å; H139-G177 PolarHBondContact CE1-O 2.91Å
140	Y	84.9	Confident	86.5	Confident	133 Å²	133	59.7 Å²	59.7	52%	0.522	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.7	174.3	177.7	-97.5	0	0	0	113.3	K122 G138 R179	K122-Y140 HydrophobicContact CB-CD2 4.47Å; K122-Y140 HydrophobicContact CB-CE2 4.14Å; K122-Y140 HydrophobicContact CD-CE2 4.25Å; G138-Y140 PolarHBondContact O-N 2.89Å; Y140-R179 VanDerWaalsContact C-NH2 3.35Å; Y140-R179 VanDerWaalsContact N-NH2 3.12Å; Y140-R179 PolarHBondContact O-NH1 2.88Å; Y140-R179 PolarHBondContact O-NH2 3.42Å
141	F	89.6	Confident	86.7	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-95.7	154.2	178.5	-58.4	-88.1	0	0	0	111.1	K122 M124 H139 G143 V145 V162 T164 Q170	K122-F141 VanDerWaalsContact CB-O 3.3Å; K122-F141 WeakPolarHBondContact CB-O 3.37Å; K122-F141 WeakPolarHBondContact O-CD2 3.37Å; K122-F141 PolarHBondContact O-N 3.39Å; M124-F141 HydrophobicContact CB-CE2 3.64Å; M124-F141 HydrophobicContact CB-CZ 4.28Å; H139-F141 HydrophobicContact CB-CE2 3.67Å; H139-F141 HydrophobicContact CB-CZ 3.72Å; H139-F141 WeakPolarHBondContact O-CD2 3.33Å; H139-F141 VanDerWaalsContact O-CE2 3.25Å; H139-F141 WeakPolarHBondContact O-CE2 3.47Å; F141-G143 PolarHBondContact O-N 2.88Å; F141-V145 HydrophobicContact CB-CG2 4.24Å; F141-V145 HydrophobicContact CD2-CG2 3.52Å; F141-V145 HydrophobicContact CE2-CG2 4.15Å; F141-V145 HydrophobicContact CG-CG2 3.99Å; F141-V162 HydrophobicContact CD1-CG1 4.35Å; F141-V162 HydrophobicContact CE1-CB 4.08Å; F141-V162 HydrophobicContact CE1-CG1 3.84Å; F141-V162 HydrophobicContact CE1-CG2 4.32Å; F141-V162 HydrophobicContact CE2-CG1 4.19Å; F141-V162 HydrophobicContact CZ-CB 4.12Å; F141-V162 HydrophobicContact CZ-CG1 3.77Å; F141-V162 HydrophobicContact CZ-CG2 3.94Å; F141-T164 HydrophobicContact CB-CG2 4.14Å; F141-T164 HydrophobicContact CD1-CG2 3.92Å; F141-T164 HydrophobicContact CG-CG2 4.07Å; F141-Q170 HydrophobicContact CD1-CG 4.47Å; F141-Q170 HydrophobicContact CE1-CB 4.09Å; F141-Q170 HydrophobicContact CE1-CG 4.43Å
142	E	85.8	Confident	86.8	Confident	140 Å²	140	52.2 Å²	52.2	65%	0.654	26%	0.262	S	S	*	.	S	Bend	trans	-71.9	-20.7	179.4	-67.8	175.1	172.7	0	0	112.6	K122 N166	K122-E142 PolarHBondContact NZ-O 3.28Å; K122-E142 VanDerWaalsContact NZ-O 3.1Å; E142-N166 PolarHBondContact OE2-ND2 3Å
143	G	90.9	Very high	87	Confident	5 Å²	5	53.3 Å²	53.3	5%	0.052	27%	0.267	C	S	.	.	S	Bend	trans	-132.1	171.8	179.8	0	0	0	0	0	113.3	K122 F141	K122-G143 WeakPolarHBondContact CB-O 3.43Å; F141-G143 PolarHBondContact O-N 2.88Å
144	N	95.3	Very high	87	Confident	47 Å²	47	47.4 Å²	47.4	25%	0.251	24%	0.242	S	C	.	.			trans	-58.3	138.3	177.7	-62.3	19	0	0	0	110.1	F120 T164 K165	F120-N144 HydrophobicContact CD1-CB 3.83Å; F120-N144 HydrophobicContact CE1-CB 4.22Å; F120-N144 HydrophobicContact CG-CB 4.23Å; N144-T164 CarbonylContact O-C 3.43Å; N144-T164 WeakPolarHBondContact O-CA 3.44Å; N144-T164 WeakPolarHBondContact O-CB 3.42Å; N144-K165 PolarHBondContact O-N 3.49Å
145	V	96.5	Very high	86.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.6	175.3	-171.4	0	0	0	0	108.6	S118 S119 F120 F141 V162 T164	S118-V145 VanDerWaalsContact CB-CG1 3.48Å; S119-V145 PolarHBondContact O-N 3.17Å; F120-V145 WeakPolarHBondContact CD1-O 3.37Å; F141-V145 HydrophobicContact CB-CG2 4.24Å; F141-V145 HydrophobicContact CD2-CG2 3.52Å; F141-V145 HydrophobicContact CE2-CG2 4.15Å; F141-V145 HydrophobicContact CG-CG2 3.99Å; V145-V162 HydrophobicContact CG1-CG1 3.48Å; V145-V162 VanDerWaalsContact CG1-CG1 3.48Å; V145-V162 HydrophobicContact CG2-CG1 4.4Å; V145-T164 HydrophobicContact CG2-CG2 4.21Å
146	Y	96.9	Very high	87	Confident	29 Å²	29	59.7 Å²	59.7	11%	0.114	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-30.5	178.4	-71.2	-79.9	0	0	0	112.2	F120 G163 K165 E189 L191	F120-Y146 AromaticContact CE1-CD1 3.6Å; F120-Y146 HydrophobicContact CE1-CD1 3.6Å; F120-Y146 AromaticContact CE1-CE1 3.71Å; F120-Y146 HydrophobicContact CE1-CE1 3.71Å; F120-Y146 HydrophobicContact CE1-CG 4.27Å; F120-Y146 AromaticContact CZ-CD1 3.8Å; F120-Y146 HydrophobicContact CZ-CD1 3.8Å; F120-Y146 AromaticContact CZ-CE1 3.56Å; F120-Y146 HydrophobicContact CZ-CE1 3.56Å; Y146-G163 PolarHBondContact N-O 2.98Å; Y146-K165 HydrophobicContact CE2-CB 3.99Å; Y146-E189 HydrophobicContact CE2-CB 4.08Å; Y146-E189 HydrophobicContact CE2-CG 4.14Å; Y146-L191 HydrophobicContact CD1-CD2 3.89Å; Y146-L191 HydrophobicContact CD2-CD2 4.19Å; Y146-L191 HydrophobicContact CE1-CD2 4.03Å; Y146-L191 HydrophobicContact CE2-CD2 4.34Å; Y146-L191 HydrophobicContact CG-CD2 3.98Å
147	S	97.2	Very high	88.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	138.5	-175.5	-175.6	0	0	0	0	111.3	G163 L191 V193 R296	S147-G163 PolarHBondContact N-O 2.97Å; S147-G163 PolarHBondContact O-N 3.36Å; S147-L191 WeakPolarHBondContact CB-O 3.38Å; S147-V193 WeakPolarHBondContact OG-CG2 3.46Å; S147-V193 PolarHBondContact OG-N 3.34Å; S147-V193 VanDerWaalsContact OG-N 3.17Å; S147-R296 PolarHBondContact OG-NH1 3.49Å
148	H	97.3	Very high	89.7	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	163.1	156.6	72.3	-97.8	0	0	0	111.3	T104 V116 S118 M124 I160 A161 V162	T104-H148 PolarHBondContact O-CE1 2.99Å; T104-H148 PolarHBondContact OG1-CE1 3.48Å; T104-H148 PolarHBondContact OG1-N 2.99Å; T104-H148 VanDerWaalsContact OG1-N 3.15Å; T104-H148 PolarHBondContact OG1-ND1 3.32Å; V116-H148 PolarHBondContact O-CE1 2.97Å; V116-H148 PolarHBondContact O-NE2 2.69Å; S118-H148 VanDerWaalsContact CB-ND1 3.27Å; S118-H148 WeakPolarHBondContact CB-ND1 3.4Å; S118-H148 PolarHBondContact OG-ND1 2.9Å; M124-H148 HydrophobicContact SD-CB 4.16Å; H148-I160 HydrophobicContact CB-CG2 4.07Å; H148-A161 CarbonylContact C-O 3.5Å; H148-A161 WeakPolarHBondContact CA-O 3.48Å; H148-V162 HydrophobicContact CB-CG2 4.29Å
149	H	97.8	Very high	91.1	Very high	14 Å²	14	45.6 Å²	45.6	7%	0.065	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	140.6	168.3	-160.6	-122.4	0	0	0	112.2	Q106 A161 V193 R194 W195	Q106-H149 PolarHBondContact NE2-CD2 3.04Å; Q106-H149 PolarHBondContact NE2-NE2 3.45Å; Q106-H149 VanDerWaalsContact OE1-CA 3.31Å; Q106-H149 PolarHBondContact OE1-CD2 2.9Å; H149-A161 PolarHBondContact N-O 2.9Å; H149-A161 PolarHBondContact O-N 3.43Å; H149-V193 HydrophobicContact CB-CG2 4.14Å; H149-V193 WeakPolarHBondContact CB-O 3.43Å; H149-R194 PolarHBondContact CD2-NH2 2.71Å; H149-R194 PolarHBondContact NE2-NE 2.85Å; H149-R194 PolarHBondContact NE2-NH2 2.79Å; H149-W195 AromaticContact CG-CD1 3.91Å; H149-W195 AromaticContact ND1-CD1 3.35Å; H149-W195 VanDerWaalsContact ND1-CD1 3.35Å; H149-W195 AromaticContact ND1-CG 3.81Å; H149-W195 PolarHBondContact ND1-N 2.86Å; H149-W195 PolarHBondContact O-NE1 3.24Å
150	L	95.4	Very high	92.2	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	149.2	166.5	-65.3	96.4	0	0	0	110.1	Q106 Y108 P109 V116 I160	Q106-L150 HydrophobicContact CB-CD1 4.26Å; Q106-L150 HydrophobicContact CG-CD1 4.4Å; Y108-L150 HydrophobicContact CD2-CD2 3.64Å; Y108-L150 HydrophobicContact CE2-CD2 4Å; P109-L150 HydrophobicContact CG-CB 4Å; V116-L150 HydrophobicContact CB-CD1 4.11Å; V116-L150 HydrophobicContact CG2-CD1 3.9Å; V116-L150 HydrophobicContact CG2-CD2 4.43Å; L150-I160 HydrophobicContact CD1-CG2 4.4Å; L150-I160 HydrophobicContact CD2-CD1 4.21Å; L150-I160 HydrophobicContact CD2-CG1 4Å; L150-I160 HydrophobicContact CG-CD1 4.41Å; L150-I160 HydrophobicContact CG-CG1 3.97Å; L150-I160 HydrophobicContact CG-CG2 4.36Å
151	S	94.7	Very high	92.7	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.042	18%	0.18	C	C	.	.			trans	-76.5	125	176.1	178.7	0	0	0	0	110	I153 A154	S151-I153 PolarHBondContact O-N 3.49Å; S151-A154 VanDerWaalsContact CB-CB 3.47Å; S151-A154 WeakPolarHBondContact OG-CB 3.42Å; S151-A154 PolarHBondContact OG-N 2.79Å
152	P	92.6	Very high	93.1	Very high	54 Å²	54	38.8 Å²	38.8	35%	0.351	18%	0.18	S	C	.	.	S	Bend	trans	-72.5	-12.5	-179	30.7	-35.8	0	0	0	113.2	Y110 P197	Y110-P152 PolarHBondContact OH-O 3.38Å; P152-P197 HydrophobicContact CG-CB 4.24Å
153	I	93.6	Very high	93.6	Very high	58 Å²	58	32.1 Å²	32.1	30%	0.297	15%	0.149	S	C	.	.	S	Bend	trans	-122.2	-11.8	-175.1	58.1	158.4	0	0	0	114.7	Y110 S151 R155 P197 R198 Y199 E200	Y110-I153 WeakPolarHBondContact OH-CA 3.34Å; Y110-I153 PolarHBondContact OH-N 2.79Å; Y110-I153 PolarHBondContact OH-O 3.22Å; S151-I153 PolarHBondContact O-N 3.49Å; I153-R155 PolarHBondContact O-N 2.92Å; I153-P197 VanDerWaalsContact CG2-O 3.27Å; I153-P197 WeakPolarHBondContact CG2-O 3.4Å; I153-R198 WeakPolarHBondContact CD1-O 3.32Å; I153-Y199 VanDerWaalsContact CD1-C 3.44Å; I153-E200 HydrophobicContact CD1-CB 4.48Å
154	A	87.8	Confident	93.8	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.033	15%	0.147	C	C	.	.			trans	-68.5	119.1	179.4	0	0	0	0	0	112.8	Y110 S151 H157 E200	Y110-A154 WeakPolarHBondContact CE2-O 3.35Å; Y110-A154 VanDerWaalsContact CZ-O 3.24Å; Y110-A154 PolarHBondContact OH-N 2.61Å; Y110-A154 PolarHBondContact OH-O 2.85Å; S151-A154 VanDerWaalsContact CB-CB 3.47Å; S151-A154 WeakPolarHBondContact OG-CB 3.42Å; S151-A154 PolarHBondContact OG-N 2.79Å; A154-H157 WeakPolarHBondContact CB-CE1 3.38Å; A154-H157 WeakPolarHBondContact CB-ND1 3.29Å; A154-E200 WeakPolarHBondContact CA-OE1 3.32Å; A154-E200 HydrophobicContact CB-CG 3.84Å
155	R	84.7	Confident	93.8	Very high	216 Å²	216	34.8 Å²	34.8	82%	0.815	16%	0.157	S	C	*	.	S	Bend	trans	-107.7	-22.9	172.6	-64.3	-174.4	-177	136.4	0.4	111.9	I153 E200	I153-R155 PolarHBondContact O-N 2.92Å; R155-E200 PolarHBondContact N-OE1 3.28Å
156	K	87.4	Confident	93.7	Very high	173 Å²	173	37 Å²	37	75%	0.752	17%	0.169	S	C	*	.	S	Bend	trans	-82.1	-28.3	-178.9	-60.1	-178.7	-168.4	171.6	0	112.4	E200	K156-E200 VanDerWaalsContact CB-OE1 3.25Å; K156-E200 WeakPolarHBondContact CB-OE1 3.24Å; K156-E200 VanDerWaalsContact CD-OE2 3.26Å; K156-E200 WeakPolarHBondContact CD-OE2 3.47Å; K156-E200 WeakPolarHBondContact CE-OE2 3.4Å; K156-E200 WeakPolarHBondContact CG-OE1 3.32Å; K156-E200 PolarHBondContact N-OE1 3.2Å; K156-E200 IonicContact NZ-OE2 3.63Å
157	H	89.4	Confident	93.6	Very high	27 Å²	27	37.8 Å²	37.8	13%	0.125	18%	0.178	C	C	.	.			trans	-129.5	149.1	-179.2	71.8	64.1	0	0	0	112.3	A154 L159 W195 E200 N201	A154-H157 WeakPolarHBondContact CB-CE1 3.38Å; A154-H157 WeakPolarHBondContact CB-ND1 3.29Å; H157-L159 HydrophobicContact CB-CD1 4.18Å; H157-L159 HydrophobicContact CB-CG 4.05Å; H157-L159 PolarHBondContact ND1-N 2.77Å; H157-W195 AromaticContact CE1-CH2 3.52Å; H157-W195 AromaticContact CE1-CZ3 3.64Å; H157-W195 AromaticContact NE2-CH2 3.82Å; H157-W195 AromaticContact NE2-CZ3 3.64Å; H157-E200 PolarHBondContact NE2-O 2.66Å; H157-N201 PolarHBondContact CD2-OD1 3.34Å; H157-N201 VanDerWaalsContact CD2-OD1 3.26Å
158	S	90.1	Very high	93.4	Very high	14 Å²	14	42.9 Å²	42.9	10%	0.098	20%	0.2	C	C	.	.			trans	-112.6	38.2	175.6	-57.8	0	0	0	0	111.1	L174 K175	S158-L174 WeakPolarHBondContact O-CB 3.49Å; S158-L174 PolarHBondContact O-N 3.23Å; S158-K175 WeakPolarHBondContact OG-CE 3.37Å
159	L	93.5	Very high	93.3	Very high	21 Å²	21	42.8 Å²	42.8	11%	0.11	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	133.6	-179.3	-62.7	172.1	0	0	0	111.9	H157 C172 D173 W195 V217	H157-L159 HydrophobicContact CB-CD1 4.18Å; H157-L159 HydrophobicContact CB-CG 4.05Å; H157-L159 PolarHBondContact ND1-N 2.77Å; L159-C172 CarbonylContact C-O 3.48Å; L159-C172 WeakPolarHBondContact CA-O 3.36Å; L159-D173 HydrophobicContact CD2-CB 4.07Å; L159-W195 HydrophobicContact CB-CH2 4.19Å; L159-W195 HydrophobicContact CB-CZ2 3.94Å; L159-W195 HydrophobicContact CD1-CH2 4.35Å; L159-V217 HydrophobicContact CD1-CG2 4.09Å
160	I	95.3	Very high	93.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.8	168.9	-47.7	-176.5	0	0	0	107.2	V116 M124 H148 L150 V162 L171 C172 L174	V116-I160 HydrophobicContact CG1-CD1 4.35Å; V116-I160 HydrophobicContact CG2-CD1 4.09Å; M124-I160 HydrophobicContact CE-CB 4.31Å; M124-I160 HydrophobicContact CE-CD1 3.88Å; M124-I160 HydrophobicContact CE-CG2 4.19Å; M124-I160 HydrophobicContact SD-CB 4.46Å; M124-I160 HydrophobicContact SD-CD1 4.35Å; M124-I160 HydrophobicContact SD-CG2 3.7Å; H148-I160 HydrophobicContact CB-CG2 4.07Å; L150-I160 HydrophobicContact CD1-CG2 4.4Å; L150-I160 HydrophobicContact CD2-CD1 4.21Å; L150-I160 HydrophobicContact CD2-CG1 4Å; L150-I160 HydrophobicContact CG-CD1 4.41Å; L150-I160 HydrophobicContact CG-CG1 3.97Å; L150-I160 HydrophobicContact CG-CG2 4.36Å; I160-V162 HydrophobicContact CG2-CG2 4.2Å; I160-L171 WeakPolarHBondContact O-CA 3.27Å; I160-C172 PolarHBondContact N-O 2.79Å; I160-C172 PolarHBondContact O-N 3.34Å; I160-L174 HydrophobicContact CD1-CD1 4.16Å
161	A	96.2	Very high	93.1	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	133.6	172.3	0	0	0	0	0	109.3	H148 H149 L171 V193 W195 L203	H148-A161 CarbonylContact C-O 3.5Å; H148-A161 WeakPolarHBondContact CA-O 3.48Å; H149-A161 PolarHBondContact N-O 2.9Å; H149-A161 PolarHBondContact O-N 3.43Å; A161-L171 HydrophobicContact CB-CD2 3.78Å; A161-V193 HydrophobicContact CB-CB 4.37Å; A161-V193 HydrophobicContact CB-CG2 4.21Å; A161-V193 WeakPolarHBondContact O-CG2 3.27Å; A161-W195 HydrophobicContact CB-CZ2 4.25Å; A161-L203 HydrophobicContact CB-CD1 3.56Å; A161-L203 HydrophobicContact CB-CD2 3.68Å; A161-L203 HydrophobicContact CB-CG 4.3Å
162	V	96.3	Very high	93	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.2	-177.2	-170.9	0	0	0	0	110.2	M124 F141 V145 H148 I160 T164 Q170	M124-V162 HydrophobicContact CE-CG2 4.2Å; M124-V162 HydrophobicContact SD-CG2 3.64Å; F141-V162 HydrophobicContact CD1-CG1 4.35Å; F141-V162 HydrophobicContact CE1-CB 4.08Å; F141-V162 HydrophobicContact CE1-CG1 3.84Å; F141-V162 HydrophobicContact CE1-CG2 4.32Å; F141-V162 HydrophobicContact CE2-CG1 4.19Å; F141-V162 HydrophobicContact CZ-CB 4.12Å; F141-V162 HydrophobicContact CZ-CG1 3.77Å; F141-V162 HydrophobicContact CZ-CG2 3.94Å; V145-V162 HydrophobicContact CG1-CG1 3.48Å; V145-V162 VanDerWaalsContact CG1-CG1 3.48Å; V145-V162 HydrophobicContact CG2-CG1 4.4Å; H148-V162 HydrophobicContact CB-CG2 4.29Å; I160-V162 HydrophobicContact CG2-CG2 4.2Å; V162-T164 HydrophobicContact CG1-CG2 3.89Å; V162-Q170 PolarHBondContact N-O 3.04Å; V162-Q170 PolarHBondContact O-N 2.69Å; V162-Q170 VanDerWaalsContact O-N 3.08Å
163	G	96.3	Very high	92.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.8	171.6	0	0	0	0	0	110.7	Y146 S147 V190	Y146-G163 PolarHBondContact N-O 2.98Å; S147-G163 PolarHBondContact N-O 2.97Å; S147-G163 PolarHBondContact O-N 3.36Å; G163-V190 CarbonylContact C-O 3.55Å
164	T	96.3	Very high	92.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	177.9	-177.3	71.3	0	0	0	0	110.9	F141 N144 V145 V162 N166 V190	F141-T164 HydrophobicContact CB-CG2 4.14Å; F141-T164 HydrophobicContact CD1-CG2 3.92Å; F141-T164 HydrophobicContact CG-CG2 4.07Å; N144-T164 CarbonylContact O-C 3.43Å; N144-T164 WeakPolarHBondContact O-CA 3.44Å; N144-T164 WeakPolarHBondContact O-CB 3.42Å; V145-T164 HydrophobicContact CG2-CG2 4.21Å; V162-T164 HydrophobicContact CG1-CG2 3.89Å; T164-N166 PolarHBondContact O-N 3.3Å; T164-N166 WeakPolarHBondContact OG1-CB 3.13Å; T164-N166 PolarHBondContact OG1-N 3.48Å; T164-N166 VanDerWaalsContact OG1-N 3.11Å; T164-N166 PolarHBondContact OG1-O 2.72Å; T164-V190 PolarHBondContact O-N 3.33Å
165	K	95.5	Very high	92.3	Very high	108 Å²	108	47.5 Å²	47.5	47%	0.47	21%	0.213	S	C	.	.	S	Bend	trans	-56.8	-27.9	167.8	-168.2	176.2	-178.7	178.3	0	112.6	N144 Y146 E189	N144-K165 PolarHBondContact O-N 3.49Å; Y146-K165 HydrophobicContact CE2-CB 3.99Å; K165-E189 HydrophobicContact CB-CG 4.22Å; K165-E189 HydrophobicContact CG-CG 3.6Å
166	N	94.3	Very high	92.3	Very high	46 Å²	46	39.8 Å²	39.8	25%	0.246	19%	0.193	C	C	.	.	S	Bend	trans	-73	139.2	174.8	-70.6	-2	0	0	0	109.7	E142 T164 K168	E142-N166 PolarHBondContact OE2-ND2 3Å; T164-N166 PolarHBondContact O-N 3.3Å; T164-N166 WeakPolarHBondContact OG1-CB 3.13Å; T164-N166 PolarHBondContact OG1-N 3.48Å; T164-N166 VanDerWaalsContact OG1-N 3.11Å; T164-N166 PolarHBondContact OG1-O 2.72Å; N166-K168 PolarHBondContact O-N 3.41Å
167	P	93.9	Very high	91.8	Very high	47 Å²	47	32.3 Å²	32.3	31%	0.305	17%	0.165	S	C	.	.	S	Bend	trans	-64.9	-13.5	178.8	-20.7	31.3	0	0	0	114.7	H186 A188	P167-H186 HydrophobicContact CB-CB 4.46Å; P167-H186 VanDerWaalsContact CB-O 3.26Å; P167-H186 WeakPolarHBondContact CB-O 3.12Å; P167-H186 WeakPolarHBondContact O-CB 3.27Å; P167-A188 VanDerWaalsContact CA-O 3.24Å; P167-A188 WeakPolarHBondContact CA-O 3.39Å; P167-A188 WeakPolarHBondContact CB-O 3.41Å
168	K	94	Very high	91.4	Very high	106 Å²	106	34 Å²	34	46%	0.461	18%	0.18	S	C	.	.	S	Bend	trans	-84.4	121.1	177.9	-65.7	-175.2	-176.9	-177.7	0	109.3	N166 V182	N166-K168 PolarHBondContact O-N 3.41Å; K168-V182 HydrophobicContact CB-CG1 3.65Å; K168-V182 HydrophobicContact CD-CG1 3.95Å; K168-V182 HydrophobicContact CG-CG1 4.12Å
169	I	95.2	Very high	91	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.7	174.1	-54.3	135.9	0	0	0	107.6	V182 L183 V190 L203 T205 W215	I169-V182 CarbonylContact O-C 3.59Å; I169-V182 WeakPolarHBondContact O-CA 3.48Å; I169-L183 HydrophobicContact CB-CB 4.09Å; I169-L183 HydrophobicContact CD1-CB 3.9Å; I169-L183 HydrophobicContact CD1-CD1 4.44Å; I169-L183 HydrophobicContact CG2-CD1 4.36Å; I169-L183 PolarHBondContact N-O 3.28Å; I169-L183 PolarHBondContact O-N 3.13Å; I169-V190 HydrophobicContact CG1-CG1 4.19Å; I169-V190 HydrophobicContact CG1-CG2 3.93Å; I169-L203 HydrophobicContact CG2-CD2 4.46Å; I169-T205 HydrophobicContact CD1-CG2 3.67Å; I169-T205 HydrophobicContact CG1-CG2 4.09Å; I169-T205 HydrophobicContact CG2-CG2 4.42Å; I169-W215 HydrophobicContact CD1-CZ2 3.66Å
170	Q	93.9	Very high	90.4	Very high	23 Å²	23	41.6 Å²	41.6	11%	0.107	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.6	178.4	-59.3	-167.7	9.3	0	0	110.2	F141 V162	F141-Q170 HydrophobicContact CD1-CG 4.47Å; F141-Q170 HydrophobicContact CE1-CB 4.09Å; F141-Q170 HydrophobicContact CE1-CG 4.43Å; V162-Q170 PolarHBondContact N-O 3.04Å; V162-Q170 PolarHBondContact O-N 2.69Å; V162-Q170 VanDerWaalsContact O-N 3.08Å
171	L	94.3	Very high	89.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.2	170.8	-58.3	-177.3	0	0	0	108.5	I160 A161 I180 H181 L183 W195 L203 V217	I160-L171 WeakPolarHBondContact O-CA 3.27Å; A161-L171 HydrophobicContact CB-CD2 3.78Å; L171-I180 PolarHBondContact O-N 2.76Å; L171-I180 VanDerWaalsContact O-N 3.14Å; L171-H181 HydrophobicContact CB-CB 4.08Å; L171-H181 HydrophobicContact CD1-CB 3.99Å; L171-H181 HydrophobicContact CG-CB 4.38Å; L171-H181 PolarHBondContact N-O 2.93Å; L171-H181 PolarHBondContact O-N 2.81Å; L171-L183 HydrophobicContact CD1-CD1 4.17Å; L171-L183 HydrophobicContact CD1-CD2 4.22Å; L171-L183 HydrophobicContact CD1-CG 4.14Å; L171-L183 HydrophobicContact CD2-CD1 4.29Å; L171-L183 HydrophobicContact CG-CD1 4.35Å; L171-L183 HydrophobicContact CG-CG 4.33Å; L171-W195 HydrophobicContact CD2-CZ2 4.47Å; L171-L203 HydrophobicContact CD2-CD2 4.15Å; L171-V217 HydrophobicContact CD1-CB 3.84Å; L171-V217 HydrophobicContact CD1-CG1 3.71Å
172	C	92.6	Very high	89.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.7	177.9	-57.5	0	0	0	0	109	M124 L159 I160	M124-C172 HydrophobicContact CE-CB 4.05Å; L159-C172 CarbonylContact C-O 3.48Å; L159-C172 WeakPolarHBondContact CA-O 3.36Å; I160-C172 PolarHBondContact N-O 2.79Å; I160-C172 PolarHBondContact O-N 3.34Å
173	D	89.6	Confident	89.6	Confident	22 Å²	22	51 Å²	51	12%	0.118	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.9	173.4	172.7	38.6	0	0	0	110.4	L159 K175 S176 G177 S178 I180	L159-D173 HydrophobicContact CD2-CB 4.07Å; D173-K175 VanDerWaalsContact C-N 3.3Å; D173-K175 PolarHBondContact O-N 3.45Å; D173-K175 PolarHBondContact OD1-N 2.96Å; D173-S176 WeakPolarHBondContact CB-OG 3.46Å; D173-S176 WeakPolarHBondContact OD2-CB 3.47Å; D173-S176 PolarHBondContact OD2-N 3.49Å; D173-S176 VanDerWaalsContact OD2-N 3.14Å; D173-S176 PolarHBondContact OD2-OG 3.31Å; D173-G177 WeakPolarHBondContact O-CA 3.3Å; D173-G177 PolarHBondContact O-N 3.24Å; D173-S178 PolarHBondContact N-O 3.19Å; D173-I180 HydrophobicContact CB-CD1 3.2Å; D173-I180 HydrophobicContact CB-CG1 3.68Å
174	L	86	Confident	89.5	Confident	36 Å²	36	57.6 Å²	57.6	19%	0.188	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-34.2	-179.2	-170.1	63.1	0	0	0	112.2	Y108 M114 V126 S158 I160	Y108-L174 HydrophobicContact CD2-CD2 3.76Å; Y108-L174 HydrophobicContact CE2-CD2 3.4Å; Y108-L174 VanDerWaalsContact CE2-CD2 3.4Å; M114-L174 HydrophobicContact CE-CD2 4.2Å; V126-L174 HydrophobicContact CB-CD1 4.24Å; V126-L174 HydrophobicContact CG1-CD1 3.78Å; V126-L174 HydrophobicContact CG2-CD1 3.54Å; S158-L174 WeakPolarHBondContact O-CB 3.49Å; S158-L174 PolarHBondContact O-N 3.23Å; I160-L174 HydrophobicContact CD1-CD1 4.16Å
175	K	84.6	Confident	89.1	Confident	158 Å²	158	59.6 Å²	59.6	69%	0.687	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-43.6	-175.6	-71.9	-179.1	177.7	176.9	0	112.4	S158 D173	S158-K175 WeakPolarHBondContact OG-CE 3.37Å; D173-K175 VanDerWaalsContact C-N 3.3Å; D173-K175 PolarHBondContact O-N 3.45Å; D173-K175 PolarHBondContact OD1-N 2.96Å
176	S	83.2	Confident	89.1	Confident	55 Å²	55	55 Å²	55	39%	0.385	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-10.5	-178.7	59.4	0	0	0	0	113.9	D173 S178	D173-S176 WeakPolarHBondContact CB-OG 3.46Å; D173-S176 WeakPolarHBondContact OD2-CB 3.47Å; D173-S176 PolarHBondContact OD2-N 3.49Å; D173-S176 VanDerWaalsContact OD2-N 3.14Å; D173-S176 PolarHBondContact OD2-OG 3.31Å; S176-S178 PolarHBondContact O-N 3.33Å; S176-S178 VanDerWaalsContact O-N 3.1Å; S176-S178 PolarHBondContact O-OG 3.31Å; S176-S178 WeakPolarHBondContact OG-CB 2.9Å; S176-S178 PolarHBondContact OG-N 3.42Å
177	G	77.1	Confident	89.1	Confident	16 Å²	16	63.1 Å²	63.1	17%	0.165	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	15	-171	0	0	0	0	0	113.2	H139 D173	H139-G177 PolarHBondContact CE1-O 2.91Å; D173-G177 WeakPolarHBondContact O-CA 3.3Å; D173-G177 PolarHBondContact O-N 3.24Å
178	S	81.4	Confident	89.2	Confident	62 Å²	62	62.1 Å²	62.1	43%	0.434	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	151.5	-172.2	-65.4	0	0	0	0	112.2	D173 S176 I180	D173-S178 PolarHBondContact N-O 3.19Å; S176-S178 PolarHBondContact O-N 3.33Å; S176-S178 VanDerWaalsContact O-N 3.1Å; S176-S178 PolarHBondContact O-OG 3.31Å; S176-S178 WeakPolarHBondContact OG-CB 2.9Å; S176-S178 PolarHBondContact OG-N 3.42Å; S178-I180 PolarHBondContact O-N 2.8Å
179	R	81.8	Confident	89.3	Confident	117 Å²	117	59.4 Å²	59.4	44%	0.442	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	94	170	-61.2	177.5	-161.4	171.6	10.2	108	Y140	Y140-R179 VanDerWaalsContact C-NH2 3.35Å; Y140-R179 VanDerWaalsContact N-NH2 3.12Å; Y140-R179 PolarHBondContact O-NH1 2.88Å; Y140-R179 PolarHBondContact O-NH2 3.42Å
180	I	80.1	Confident	89.4	Confident	78 Å²	78	59.4 Å²	59.4	40%	0.4	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-44.5	-169.8	-54.3	-166.1	0	0	0	110.9	L171 D173 S178	L171-I180 PolarHBondContact O-N 2.76Å; L171-I180 VanDerWaalsContact O-N 3.14Å; D173-I180 HydrophobicContact CB-CD1 3.2Å; D173-I180 HydrophobicContact CB-CG1 3.68Å; S178-I180 PolarHBondContact O-N 2.8Å
181	H	85.9	Confident	89.6	Confident	102 Å²	102	58.5 Å²	58.5	47%	0.472	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.3	-168	-76.5	-50.3	0	0	0	113.4	L171	L171-H181 HydrophobicContact CB-CB 4.08Å; L171-H181 HydrophobicContact CD1-CB 3.99Å; L171-H181 HydrophobicContact CG-CB 4.38Å; L171-H181 PolarHBondContact N-O 2.93Å; L171-H181 PolarHBondContact O-N 2.81Å
182	V	92.3	Very high	89.8	Confident	83 Å²	83	58.6 Å²	58.6	50%	0.503	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122.4	177	179.3	0	0	0	0	108.2	K168 I169	K168-V182 HydrophobicContact CB-CG1 3.65Å; K168-V182 HydrophobicContact CD-CG1 3.95Å; K168-V182 HydrophobicContact CG-CG1 4.12Å; I169-V182 CarbonylContact O-C 3.59Å; I169-V182 WeakPolarHBondContact O-CA 3.48Å
183	L	93.7	Very high	90	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.068	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.7	174.2	-49.2	171.2	0	0	0	108.5	I169 L171 L203 W215 V217	I169-L183 HydrophobicContact CB-CB 4.09Å; I169-L183 HydrophobicContact CD1-CB 3.9Å; I169-L183 HydrophobicContact CD1-CD1 4.44Å; I169-L183 HydrophobicContact CG2-CD1 4.36Å; I169-L183 PolarHBondContact N-O 3.28Å; I169-L183 PolarHBondContact O-N 3.13Å; L171-L183 HydrophobicContact CD1-CD1 4.17Å; L171-L183 HydrophobicContact CD1-CD2 4.22Å; L171-L183 HydrophobicContact CD1-CG 4.14Å; L171-L183 HydrophobicContact CD2-CD1 4.29Å; L171-L183 HydrophobicContact CG-CD1 4.35Å; L171-L183 HydrophobicContact CG-CG 4.33Å; L183-L203 HydrophobicContact CD1-CD2 3.79Å; L183-W215 HydrophobicContact CB-CD2 4.15Å; L183-W215 HydrophobicContact CB-CE3 3.89Å; L183-W215 HydrophobicContact CB-CH2 4.21Å; L183-W215 HydrophobicContact CB-CZ2 4.44Å; L183-W215 HydrophobicContact CB-CZ3 3.93Å; L183-W215 HydrophobicContact CD1-CB 4.08Å; L183-W215 HydrophobicContact CD1-CD2 3.94Å; L183-W215 HydrophobicContact CD1-CE3 4.26Å; L183-W215 HydrophobicContact CD1-CG 3.86Å; L183-W215 HydrophobicContact CD2-CE3 4.2Å; L183-W215 HydrophobicContact CG-CD2 4.5Å; L183-W215 HydrophobicContact CG-CE3 4.35Å; L183-V217 HydrophobicContact CD1-CG1 4.46Å
184	Q	93	Very high	90.4	Very high	138 Å²	138	59.1 Å²	59.1	65%	0.645	30%	0.299	S	S	*	.			trans	-112.2	128.6	-177.7	-176.3	171.8	-17.5	0	0	110.2	W215	Q184-W215 WeakPolarHBondContact O-CH2 3.39Å
185	G	89.8	Confident	91	Very high	41 Å²	41	57.5 Å²	57.5	42%	0.423	29%	0.291	S	S	.	.			trans	171.6	-27.9	175.7	0	0	0	0	0	114.3
186	H	95.1	Very high	91.6	Very high	12 Å²	12	50 Å²	50	6%	0.056	26%	0.258	C	S	.	.			trans	-72.2	155.3	170.4	-74.5	-62.9	0	0	0	112.2	P167 V190 T205 S207 D209 N213	P167-H186 HydrophobicContact CB-CB 4.46Å; P167-H186 VanDerWaalsContact CB-O 3.26Å; P167-H186 WeakPolarHBondContact CB-O 3.12Å; P167-H186 WeakPolarHBondContact O-CB 3.27Å; H186-V190 HydrophobicContact CB-CG2 4.34Å; H186-T205 PolarHBondContact NE2-O 3.3Å; H186-T205 PolarHBondContact NE2-OG1 3.47Å; H186-S207 WeakPolarHBondContact ND1-CB 3.49Å; H186-D209 VanDerWaalsContact CA-OD2 3.28Å; H186-D209 WeakPolarHBondContact CA-OD2 3.34Å; H186-D209 WeakPolarHBondContact CB-OD2 3.48Å; H186-D209 IonicContact CG-OD2 3.43Å; H186-D209 IonicContact ND1-OD1 3.72Å; H186-D209 PolarHBondContact ND1-OD1 3.14Å; H186-D209 IonicContact ND1-OD2 2.85Å; H186-D209 PolarHBondContact ND1-OD2 3.36Å; H186-N213 PolarHBondContact CE1-ND2 2.71Å; H186-N213 PolarHBondContact ND1-ND2 2.89Å; H186-N213 PolarHBondContact NE2-ND2 2.96Å
187	R	94.7	Very high	92.2	Very high	217 Å²	217	49.3 Å²	49.3	82%	0.819	25%	0.252	S	S	*	.	S	Bend	trans	-111.4	-10	-178.2	-62.6	-174.4	179	-133.7	1.5	114.2	D209	R187-D209 HydrophobicContact CB-CB 4.18Å; R187-D209 PolarHBondContact N-OD2 2.86Å
188	A	95.6	Very high	93.1	Very high	25 Å²	25	54.4 Å²	54.4	21%	0.207	27%	0.267	C	S	.	.	S	Bend	trans	-139.8	-170.1	-179.7	0	0	0	0	0	111	P167 S207 A208 D209	P167-A188 VanDerWaalsContact CA-O 3.24Å; P167-A188 WeakPolarHBondContact CA-O 3.39Å; P167-A188 WeakPolarHBondContact CB-O 3.41Å; A188-S207 PolarHBondContact O-OG 3.33Å; A188-A208 HydrophobicContact CB-CB 3.96Å; A188-D209 HydrophobicContact CB-CB 3.96Å
189	E	95.9	Very high	93.8	Very high	49 Å²	49	56.2 Å²	56.2	23%	0.229	27%	0.265	C	S	.	.			trans	-55.3	139.7	-179	-59.6	90	173.1	0	0	112.1	Y146 K165 L191 S207 A208	Y146-E189 HydrophobicContact CE2-CB 4.08Å; Y146-E189 HydrophobicContact CE2-CG 4.14Å; K165-E189 HydrophobicContact CB-CG 4.22Å; K165-E189 HydrophobicContact CG-CG 3.6Å; E189-L191 HydrophobicContact CB-CD2 4.17Å; E189-S207 CarbonylContact O-C 3.52Å; E189-S207 WeakPolarHBondContact O-CA 3.38Å; E189-S207 VanDerWaalsContact O-CB 3.25Å; E189-S207 WeakPolarHBondContact O-CB 3.45Å; E189-S207 PolarHBondContact O-OG 3.44Å; E189-A208 HydrophobicContact CB-CB 4.31Å; E189-A208 PolarHBondContact O-N 3.25Å; E189-A208 WeakPolarHBondContact OE2-CB 3.23Å
190	V	97.5	Very high	94.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	107.2	174.7	-177.5	0	0	0	0	108	G163 T164 I169 H186 V193 A206	G163-V190 CarbonylContact C-O 3.55Å; T164-V190 PolarHBondContact O-N 3.33Å; I169-V190 HydrophobicContact CG1-CG1 4.19Å; I169-V190 HydrophobicContact CG1-CG2 3.93Å; H186-V190 HydrophobicContact CB-CG2 4.34Å; V190-V193 HydrophobicContact CG1-CG1 3.71Å; V190-A206 CarbonylContact C-O 3.59Å
191	L	97.8	Very high	95.1	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-31.7	-170.6	-61.5	178.7	0	0	0	112.7	Y146 S147 E189 A206 A208 R249 N251 R296	Y146-L191 HydrophobicContact CD1-CD2 3.89Å; Y146-L191 HydrophobicContact CD2-CD2 4.19Å; Y146-L191 HydrophobicContact CE1-CD2 4.03Å; Y146-L191 HydrophobicContact CE2-CD2 4.34Å; Y146-L191 HydrophobicContact CG-CD2 3.98Å; S147-L191 WeakPolarHBondContact CB-O 3.38Å; E189-L191 HydrophobicContact CB-CD2 4.17Å; L191-A206 PolarHBondContact N-O 3.24Å; L191-A208 HydrophobicContact CD1-CB 4.16Å; L191-A208 HydrophobicContact CG-CB 4.47Å; L191-R249 HydrophobicContact CD1-CB 4.04Å; L191-N251 HydrophobicContact CB-CB 4.16Å; L191-N251 HydrophobicContact CD1-CB 3.77Å; L191-R296 WeakPolarHBondContact O-CB 3.3Å
192	A	97.8	Very high	95.6	Very high	2 Å²	2	46.1 Å²	46.1	2%	0.017	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.7	177.6	0	0	0	0	0	111.6	A206 L253 R296	A192-A206 HydrophobicContact CB-CB 4.22Å; A192-A206 PolarHBondContact N-O 3.33Å; A192-A206 PolarHBondContact O-N 2.96Å; A192-L253 HydrophobicContact CB-CB 4.28Å; A192-L253 HydrophobicContact CB-CD1 4.05Å; A192-L253 HydrophobicContact CB-CG 4.08Å; A192-R296 HydrophobicContact CB-CG 4.38Å
193	V	98.1	Very high	95.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139	172	-60.1	0	0	0	0	109.1	S147 H149 A161 V190 A204 T205	S147-V193 WeakPolarHBondContact OG-CG2 3.46Å; S147-V193 PolarHBondContact OG-N 3.34Å; S147-V193 VanDerWaalsContact OG-N 3.17Å; H149-V193 HydrophobicContact CB-CG2 4.14Å; H149-V193 WeakPolarHBondContact CB-O 3.43Å; A161-V193 HydrophobicContact CB-CB 4.37Å; A161-V193 HydrophobicContact CB-CG2 4.21Å; A161-V193 WeakPolarHBondContact O-CG2 3.27Å; V190-V193 HydrophobicContact CG1-CG1 3.71Å; V193-A204 WeakPolarHBondContact CA-O 3.42Å; V193-T205 HydrophobicContact CB-CG2 4.45Å; V193-T205 HydrophobicContact CG1-CG2 3.91Å
194	R	98.1	Very high	96.1	Very high	34 Å²	34	41.6 Å²	41.6	13%	0.128	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	130.7	-178.8	-161.4	109.4	-65.3	-159.1	-10	110.5	H149 A204 L253 F255 R296	H149-R194 PolarHBondContact CD2-NH2 2.71Å; H149-R194 PolarHBondContact NE2-NE 2.85Å; H149-R194 PolarHBondContact NE2-NH2 2.79Å; R194-A204 PolarHBondContact N-O 2.84Å; R194-A204 PolarHBondContact O-N 3.22Å; R194-L253 HydrophobicContact CB-CB 4.08Å; R194-L253 HydrophobicContact CB-CD1 4.49Å; R194-F255 HydrophobicContact CB-CD2 4.41Å; R194-F255 HydrophobicContact CB-CE2 4.41Å; R194-F255 HydrophobicContact CG-CD2 3.92Å; R194-F255 HydrophobicContact CG-CE2 4.39Å; R194-R296 VanDerWaalsContact CZ-NH2 3.28Å
195	W	98.1	Very high	96.3	Very high	2 Å²	2	35 Å²	35	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	147.9	175.2	-72.2	97.7	0	0	0	109.4	H149 H157 L159 A161 L171 L203 V217 F255	H149-W195 AromaticContact CG-CD1 3.91Å; H149-W195 AromaticContact ND1-CD1 3.35Å; H149-W195 VanDerWaalsContact ND1-CD1 3.35Å; H149-W195 AromaticContact ND1-CG 3.81Å; H149-W195 PolarHBondContact ND1-N 2.86Å; H149-W195 PolarHBondContact O-NE1 3.24Å; H157-W195 AromaticContact CE1-CH2 3.52Å; H157-W195 AromaticContact CE1-CZ3 3.64Å; H157-W195 AromaticContact NE2-CH2 3.82Å; H157-W195 AromaticContact NE2-CZ3 3.64Å; L159-W195 HydrophobicContact CB-CH2 4.19Å; L159-W195 HydrophobicContact CB-CZ2 3.94Å; L159-W195 HydrophobicContact CD1-CH2 4.35Å; A161-W195 HydrophobicContact CB-CZ2 4.25Å; L171-W195 HydrophobicContact CD2-CZ2 4.47Å; W195-L203 HydrophobicContact CD2-CB 4.39Å; W195-L203 HydrophobicContact CD2-CD1 3.8Å; W195-L203 HydrophobicContact CE3-CB 4.15Å; W195-L203 HydrophobicContact CE3-CD1 4.41Å; W195-L203 HydrophobicContact CG-CD1 3.9Å; W195-L203 HydrophobicContact CZ2-CD1 4.5Å; W195-L203 HydrophobicContact CZ3-CB 4.32Å; W195-V217 HydrophobicContact CH2-CB 4.19Å; W195-V217 HydrophobicContact CH2-CG1 3.48Å; W195-V217 VanDerWaalsContact CH2-CG1 3.48Å; W195-V217 HydrophobicContact CH2-CG2 3.81Å; W195-V217 HydrophobicContact CZ2-CG1 4.4Å; W195-V217 HydrophobicContact CZ3-CG1 3.78Å; W195-V217 HydrophobicContact CZ3-CG2 3.95Å; W195-F255 VanDerWaalsContact O-CD2 3.32Å; W195-F255 WeakPolarHBondContact O-CD2 3.18Å
196	S	97.3	Very high	96.7	Very high	1 Å²	1	33 Å²	33	1%	0.007	14%	0.144	C	C	.	.			trans	-69.5	133.3	174.7	-179.3	0	0	0	0	110.4	R198 Y199 I202	S196-R198 PolarHBondContact O-N 3.26Å; S196-R198 PolarHBondContact OG-N 3.27Å; S196-Y199 PolarHBondContact OG-N 3.35Å; S196-I202 PolarHBondContact N-O 2.9Å
197	P	95.7	Very high	96.8	Very high	40 Å²	40	32.5 Å²	32.5	26%	0.26	14%	0.142	S	C	.	.	S	Bend	trans	-77.2	-1.3	171.8	33	-35.1	0	0	0	112.6	P152 I153 F255 T256	P152-P197 HydrophobicContact CG-CB 4.24Å; I153-P197 VanDerWaalsContact CG2-O 3.27Å; I153-P197 WeakPolarHBondContact CG2-O 3.4Å; P197-F255 VanDerWaalsContact CD-CB 3.44Å; P197-F255 HydrophobicContact CG-CB 3.84Å; P197-F255 HydrophobicContact CG-CG 4.45Å; P197-T256 WeakPolarHBondContact CG-O 3.46Å
198	R	95.7	Very high	96.9	Very high	123 Å²	123	22.9 Å²	22.9	46%	0.464	11%	0.109	S	C	.	.	S	Bend	trans	-109	-42.3	-178.7	-174.7	177.7	-170	81.7	4.5	113.2	I153 S196 D258	I153-R198 WeakPolarHBondContact CD1-O 3.32Å; S196-R198 PolarHBondContact O-N 3.26Å; S196-R198 PolarHBondContact OG-N 3.27Å; R198-D258 WeakPolarHBondContact CD-O 3.37Å; R198-D258 PolarHBondContact NH1-O 2.97Å
199	Y	95.2	Very high	96.9	Very high	99 Å²	99	23 Å²	23	39%	0.388	11%	0.106	S	C	.	.			trans	-116.4	119.8	-175.4	-56.4	-67.7	0	0	0	111.1	I153 S196 N201 I202	I153-Y199 VanDerWaalsContact CD1-C 3.44Å; S196-Y199 PolarHBondContact OG-N 3.35Å; Y199-N201 VanDerWaalsContact C-N 3.3Å; Y199-N201 PolarHBondContact O-N 3Å; Y199-N201 VanDerWaalsContact O-N 3.16Å; Y199-I202 HydrophobicContact CD2-CG1 4.27Å; Y199-I202 HydrophobicContact CG-CG1 4.11Å; Y199-I202 PolarHBondContact O-N 3.28Å
200	E	94.2	Very high	96.9	Very high	34 Å²	34	21.8 Å²	21.8	16%	0.159	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-44.5	-170.8	171.1	164.2	-138.1	0	0	113.8	I153 A154 R155 K156 H157	I153-E200 HydrophobicContact CD1-CB 4.48Å; A154-E200 WeakPolarHBondContact CA-OE1 3.32Å; A154-E200 HydrophobicContact CB-CG 3.84Å; R155-E200 PolarHBondContact N-OE1 3.28Å; K156-E200 VanDerWaalsContact CB-OE1 3.25Å; K156-E200 WeakPolarHBondContact CB-OE1 3.24Å; K156-E200 VanDerWaalsContact CD-OE2 3.26Å; K156-E200 WeakPolarHBondContact CD-OE2 3.47Å; K156-E200 WeakPolarHBondContact CE-OE2 3.4Å; K156-E200 WeakPolarHBondContact CG-OE1 3.32Å; K156-E200 PolarHBondContact N-OE1 3.2Å; K156-E200 IonicContact NZ-OE2 3.63Å; H157-E200 PolarHBondContact NE2-O 2.66Å
201	N	95	Very high	96.9	Very high	26 Å²	26	24.3 Å²	24.3	14%	0.139	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	6.8	-171.4	-58.8	-74.2	0	0	0	113.8	H157 Y199 D216 V217 R218	H157-N201 PolarHBondContact CD2-OD1 3.34Å; H157-N201 VanDerWaalsContact CD2-OD1 3.26Å; Y199-N201 VanDerWaalsContact C-N 3.3Å; Y199-N201 PolarHBondContact O-N 3Å; Y199-N201 VanDerWaalsContact O-N 3.16Å; N201-D216 WeakPolarHBondContact CB-OD1 3.44Å; N201-D216 WeakPolarHBondContact O-CA 3.38Å; N201-V217 HydrophobicContact CB-CG2 3.96Å; N201-V217 PolarHBondContact O-N 3.47Å; N201-R218 HydrophobicContact CB-CG 4.1Å
202	I	97	Very high	96.9	Very high	26 Å²	26	24.1 Å²	24.1	13%	0.133	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.9	-175.8	-59.7	-61.6	0	0	0	110.6	S196 Y199 I214 W215 D216 L224	S196-I202 PolarHBondContact N-O 2.9Å; Y199-I202 HydrophobicContact CD2-CG1 4.27Å; Y199-I202 HydrophobicContact CG-CG1 4.11Å; Y199-I202 PolarHBondContact O-N 3.28Å; I202-I214 HydrophobicContact CG2-CG2 3.7Å; I202-W215 VanDerWaalsContact CA-O 3.31Å; I202-W215 WeakPolarHBondContact CA-O 3.31Å; I202-D216 HydrophobicContact CD1-CB 4.07Å; I202-L224 HydrophobicContact CD1-CD1 3.56Å
203	L	97.6	Very high	96.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.9	178.4	179.1	73.6	0	0	0	109.9	A161 I169 L171 L183 W195 T205 I214 W215 V217	A161-L203 HydrophobicContact CB-CD1 3.56Å; A161-L203 HydrophobicContact CB-CD2 3.68Å; A161-L203 HydrophobicContact CB-CG 4.3Å; I169-L203 HydrophobicContact CG2-CD2 4.46Å; L171-L203 HydrophobicContact CD2-CD2 4.15Å; L183-L203 HydrophobicContact CD1-CD2 3.79Å; W195-L203 HydrophobicContact CD2-CB 4.39Å; W195-L203 HydrophobicContact CD2-CD1 3.8Å; W195-L203 HydrophobicContact CE3-CB 4.15Å; W195-L203 HydrophobicContact CE3-CD1 4.41Å; W195-L203 HydrophobicContact CG-CD1 3.9Å; W195-L203 HydrophobicContact CZ2-CD1 4.5Å; W195-L203 HydrophobicContact CZ3-CB 4.32Å; L203-T205 HydrophobicContact CD2-CG2 3.75Å; L203-T205 HydrophobicContact CG-CG2 3.88Å; L203-I214 CarbonylContact O-C 3.58Å; L203-I214 WeakPolarHBondContact O-CA 3.1Å; L203-W215 HydrophobicContact CB-CB 4.38Å; L203-W215 PolarHBondContact N-O 3.44Å; L203-W215 PolarHBondContact O-N 3.3Å; L203-V217 HydrophobicContact CB-CG1 4.2Å
204	A	98.3	Very high	96.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.9	167.3	0	0	0	0	0	110	V193 R194 I214 L253 F255 L262	V193-A204 WeakPolarHBondContact CA-O 3.42Å; R194-A204 PolarHBondContact N-O 2.84Å; R194-A204 PolarHBondContact O-N 3.22Å; A204-I214 HydrophobicContact CB-CD1 3.56Å; A204-L253 HydrophobicContact CB-CD1 4.26Å; A204-F255 HydrophobicContact CB-CE2 3.86Å; A204-F255 HydrophobicContact CB-CZ 3.86Å; A204-L262 HydrophobicContact CB-CD1 4.37Å; A204-L262 HydrophobicContact CB-CD2 3.83Å
205	T	98.3	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.3	178.2	65	0	0	0	0	110.7	I169 H186 V193 L203 V212 N213 W215	I169-T205 HydrophobicContact CD1-CG2 3.67Å; I169-T205 HydrophobicContact CG1-CG2 4.09Å; I169-T205 HydrophobicContact CG2-CG2 4.42Å; H186-T205 PolarHBondContact NE2-O 3.3Å; H186-T205 PolarHBondContact NE2-OG1 3.47Å; V193-T205 HydrophobicContact CB-CG2 4.45Å; V193-T205 HydrophobicContact CG1-CG2 3.91Å; L203-T205 HydrophobicContact CD2-CG2 3.75Å; L203-T205 HydrophobicContact CG-CG2 3.88Å; T205-V212 CarbonylContact O-C 3.48Å; T205-V212 VanDerWaalsContact O-CA 3.23Å; T205-V212 WeakPolarHBondContact O-CA 3.48Å; T205-V212 WeakPolarHBondContact O-CG1 3.45Å; T205-N213 PolarHBondContact N-O 3.31Å; T205-N213 PolarHBondContact O-N 2.84Å; T205-N213 PolarHBondContact OG1-O 2.97Å; T205-W215 PolarHBondContact OG1-NE1 3Å
206	A	98.1	Very high	96.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.9	-177.9	0	0	0	0	0	110.1	V190 L191 A192 V212 V250 L253	V190-A206 CarbonylContact C-O 3.59Å; L191-A206 PolarHBondContact N-O 3.24Å; A192-A206 HydrophobicContact CB-CB 4.22Å; A192-A206 PolarHBondContact N-O 3.33Å; A192-A206 PolarHBondContact O-N 2.96Å; A206-V212 HydrophobicContact CB-CG2 4.02Å; A206-V250 HydrophobicContact CB-CB 3.88Å; A206-V250 HydrophobicContact CB-CG1 3.65Å; A206-L253 HydrophobicContact CB-CD1 3.57Å; A206-L253 HydrophobicContact CB-CD2 4.02Å; A206-L253 HydrophobicContact CB-CG 3.65Å
207	S	97.5	Very high	96.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	160.7	-172.5	174.3	0	0	0	0	112.8	H186 A188 E189 D209 S210 K211 V250	H186-S207 WeakPolarHBondContact ND1-CB 3.49Å; A188-S207 PolarHBondContact O-OG 3.33Å; E189-S207 CarbonylContact O-C 3.52Å; E189-S207 WeakPolarHBondContact O-CA 3.38Å; E189-S207 VanDerWaalsContact O-CB 3.25Å; E189-S207 WeakPolarHBondContact O-CB 3.45Å; E189-S207 PolarHBondContact O-OG 3.44Å; S207-D209 VanDerWaalsContact CB-OD1 3.22Å; S207-D209 WeakPolarHBondContact CB-OD1 3.43Å; S207-D209 PolarHBondContact O-N 2.75Å; S207-D209 PolarHBondContact OG-N 2.91Å; S207-D209 PolarHBondContact OG-OD1 3.34Å; S207-S210 PolarHBondContact O-N 3.32Å; S207-K211 PolarHBondContact N-O 3.09Å; S207-V250 PolarHBondContact O-N 3.34Å; S207-V250 VanDerWaalsContact O-N 3.08Å
208	A	97	Very high	96.3	Very high	15 Å²	15	30.7 Å²	30.7	12%	0.124	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.2	169	0	0	0	0	0	113.5	A188 E189 L191 S210 R249	A188-A208 HydrophobicContact CB-CB 3.96Å; E189-A208 HydrophobicContact CB-CB 4.31Å; E189-A208 PolarHBondContact O-N 3.25Å; E189-A208 WeakPolarHBondContact OE2-CB 3.23Å; L191-A208 HydrophobicContact CD1-CB 4.16Å; L191-A208 HydrophobicContact CG-CB 4.47Å; A208-S210 PolarHBondContact O-N 3.19Å; A208-R249 HydrophobicContact CB-CB 4.35Å; A208-R249 HydrophobicContact CB-CG 3.93Å
209	D	95.3	Very high	96.1	Very high	27 Å²	27	30.7 Å²	30.7	14%	0.144	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	6.8	172.6	68	8.9	0	0	0	113.6	H186 R187 A188 S207 K211	H186-D209 VanDerWaalsContact CA-OD2 3.28Å; H186-D209 WeakPolarHBondContact CA-OD2 3.34Å; H186-D209 WeakPolarHBondContact CB-OD2 3.48Å; H186-D209 IonicContact CG-OD2 3.43Å; H186-D209 IonicContact ND1-OD1 3.72Å; H186-D209 PolarHBondContact ND1-OD1 3.14Å; H186-D209 IonicContact ND1-OD2 2.85Å; H186-D209 PolarHBondContact ND1-OD2 3.36Å; R187-D209 HydrophobicContact CB-CB 4.18Å; R187-D209 PolarHBondContact N-OD2 2.86Å; A188-D209 HydrophobicContact CB-CB 3.96Å; S207-D209 VanDerWaalsContact CB-OD1 3.22Å; S207-D209 WeakPolarHBondContact CB-OD1 3.43Å; S207-D209 PolarHBondContact O-N 2.75Å; S207-D209 PolarHBondContact OG-N 2.91Å; S207-D209 PolarHBondContact OG-OD1 3.34Å; D209-K211 PolarHBondContact O-N 3.08Å; D209-K211 WeakPolarHBondContact OD1-CA 3.43Å; D209-K211 VanDerWaalsContact OD1-CB 3.25Å; D209-K211 WeakPolarHBondContact OD1-CB 3.3Å; D209-K211 PolarHBondContact OD1-N 2.75Å
210	S	96.1	Very high	95.2	Very high	25 Å²	25	31.4 Å²	31.4	18%	0.175	16%	0.162	C	C	.	.	S	Bend	trans	69.3	11.3	-178.6	-41.2	0	0	0	0	114.5	S207 A208 A245 H246 G248	S207-S210 PolarHBondContact O-N 3.32Å; A208-S210 PolarHBondContact O-N 3.19Å; S210-A245 PolarHBondContact O-N 3.22Å; S210-H246 WeakPolarHBondContact CB-O 3.38Å; S210-H246 PolarHBondContact O-N 3.35Å; S210-G248 VanDerWaalsContact CA-O 3.29Å; S210-G248 WeakPolarHBondContact CA-O 3.43Å; S210-G248 WeakPolarHBondContact CB-O 3.37Å; S210-G248 PolarHBondContact OG-O 3.33Å; S210-G248 VanDerWaalsContact OG-O 3.09Å
211	K	96.7	Very high	94.6	Very high	53 Å²	53	34.7 Å²	34.7	23%	0.23	19%	0.188	C	C	.	.			trans	-109.7	151.5	-179.3	-54.5	-167.5	165.9	-161.3	0	111.7	S207 D209 T226 E242 N243 T244	S207-K211 PolarHBondContact N-O 3.09Å; D209-K211 PolarHBondContact O-N 3.08Å; D209-K211 WeakPolarHBondContact OD1-CA 3.43Å; D209-K211 VanDerWaalsContact OD1-CB 3.25Å; D209-K211 WeakPolarHBondContact OD1-CB 3.3Å; D209-K211 PolarHBondContact OD1-N 2.75Å; K211-T226 HydrophobicContact CB-CG2 4.03Å; K211-T226 HydrophobicContact CD-CG2 4.21Å; K211-T226 HydrophobicContact CG-CG2 4.43Å; K211-E242 PolarHBondContact NZ-O 3.11Å; K211-N243 WeakPolarHBondContact CD-O 3.39Å; K211-N243 WeakPolarHBondContact CE-O 3.42Å; K211-N243 WeakPolarHBondContact CG-O 3.49Å; K211-T244 HydrophobicContact CG-CG2 4.41Å
212	V	98.1	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.3	166.6	178.3	0	0	0	0	108.1	T205 A206 I214 T226 L227 A245 V250 L253 L262 T264	T205-V212 CarbonylContact O-C 3.48Å; T205-V212 VanDerWaalsContact O-CA 3.23Å; T205-V212 WeakPolarHBondContact O-CA 3.48Å; T205-V212 WeakPolarHBondContact O-CG1 3.45Å; A206-V212 HydrophobicContact CB-CG2 4.02Å; V212-I214 HydrophobicContact CG1-CD1 4.45Å; V212-T226 WeakPolarHBondContact O-CA 3.22Å; V212-T226 WeakPolarHBondContact O-CG2 3.36Å; V212-L227 HydrophobicContact CB-CB 4.23Å; V212-L227 HydrophobicContact CB-CD1 3.66Å; V212-L227 HydrophobicContact CB-CG 3.96Å; V212-L227 HydrophobicContact CG1-CD1 3.54Å; V212-L227 HydrophobicContact CG1-CG 4.05Å; V212-L227 HydrophobicContact CG2-CD1 4.38Å; V212-L227 PolarHBondContact O-N 3.07Å; V212-A245 HydrophobicContact CB-CB 4.17Å; V212-A245 HydrophobicContact CG2-CB 3.79Å; V212-V250 HydrophobicContact CG2-CB 4.1Å; V212-V250 HydrophobicContact CG2-CG1 3.64Å; V212-V250 HydrophobicContact CG2-CG2 4.08Å; V212-L253 HydrophobicContact CG1-CD2 4.04Å; V212-L253 HydrophobicContact CG2-CD2 4.41Å; V212-L262 HydrophobicContact CG1-CD2 4.24Å; V212-T264 HydrophobicContact CG1-CG2 4.46Å; V212-T264 HydrophobicContact CG2-CG2 3.91Å
213	N	97.4	Very high	93.9	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.7	-179.8	-71	-31.8	0	0	0	109.7	H186 T205 W215 T226	H186-N213 PolarHBondContact CE1-ND2 2.71Å; H186-N213 PolarHBondContact ND1-ND2 2.89Å; H186-N213 PolarHBondContact NE2-ND2 2.96Å; T205-N213 PolarHBondContact N-O 3.31Å; T205-N213 PolarHBondContact O-N 2.84Å; T205-N213 PolarHBondContact OG1-O 2.97Å; N213-W215 HydrophobicContact CB-CZ2 3.64Å; N213-W215 PolarHBondContact O-NE1 3.03Å; N213-T226 WeakPolarHBondContact OD1-CB 3.5Å; N213-T226 WeakPolarHBondContact OD1-CG2 3.45Å; N213-T226 PolarHBondContact OD1-OG1 2.95Å
214	I	97.8	Very high	93.7	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.6	172	-53.5	-55.1	0	0	0	108.3	I202 L203 A204 V212 S223 L224 F225 L262	I202-I214 HydrophobicContact CG2-CG2 3.7Å; L203-I214 CarbonylContact O-C 3.58Å; L203-I214 WeakPolarHBondContact O-CA 3.1Å; A204-I214 HydrophobicContact CB-CD1 3.56Å; V212-I214 HydrophobicContact CG1-CD1 4.45Å; I214-S223 CarbonylContact O-C 3.54Å; I214-S223 WeakPolarHBondContact O-CA 3.25Å; I214-S223 VanDerWaalsContact O-CB 3.28Å; I214-S223 WeakPolarHBondContact O-CB 3.09Å; I214-L224 HydrophobicContact CG2-CD1 4.21Å; I214-L224 WeakPolarHBondContact O-CB 3.36Å; I214-L224 PolarHBondContact O-N 2.95Å; I214-F225 HydrophobicContact CB-CD2 4.29Å; I214-F225 HydrophobicContact CB-CE1 4.22Å; I214-F225 HydrophobicContact CB-CE2 3.89Å; I214-F225 HydrophobicContact CB-CZ 3.85Å; I214-F225 HydrophobicContact CG1-CD2 4Å; I214-F225 HydrophobicContact CG1-CE2 3.36Å; I214-F225 HydrophobicContact CG1-CZ 3.66Å; I214-F225 HydrophobicContact CG2-CE1 4.27Å; I214-F225 HydrophobicContact CG2-CZ 4.03Å; I214-F225 PolarHBondContact N-O 3.46Å; I214-L262 HydrophobicContact CD1-CD2 3.84Å
215	W	97	Very high	93.5	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.011	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.6	-173.8	-50.7	83.7	0	0	0	110.2	I169 L183 Q184 I202 L203 T205 N213	I169-W215 HydrophobicContact CD1-CZ2 3.66Å; L183-W215 HydrophobicContact CB-CD2 4.15Å; L183-W215 HydrophobicContact CB-CE3 3.89Å; L183-W215 HydrophobicContact CB-CH2 4.21Å; L183-W215 HydrophobicContact CB-CZ2 4.44Å; L183-W215 HydrophobicContact CB-CZ3 3.93Å; L183-W215 HydrophobicContact CD1-CB 4.08Å; L183-W215 HydrophobicContact CD1-CD2 3.94Å; L183-W215 HydrophobicContact CD1-CE3 4.26Å; L183-W215 HydrophobicContact CD1-CG 3.86Å; L183-W215 HydrophobicContact CD2-CE3 4.2Å; L183-W215 HydrophobicContact CG-CD2 4.5Å; L183-W215 HydrophobicContact CG-CE3 4.35Å; Q184-W215 WeakPolarHBondContact O-CH2 3.39Å; I202-W215 VanDerWaalsContact CA-O 3.31Å; I202-W215 WeakPolarHBondContact CA-O 3.31Å; L203-W215 HydrophobicContact CB-CB 4.38Å; L203-W215 PolarHBondContact N-O 3.44Å; L203-W215 PolarHBondContact O-N 3.3Å; T205-W215 PolarHBondContact OG1-NE1 3Å; N213-W215 HydrophobicContact CB-CZ2 3.64Å; N213-W215 PolarHBondContact O-NE1 3.03Å
216	D	95.2	Very high	93.3	Very high	21 Å²	21	42.6 Å²	42.6	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.9	156	-179.6	-14.6	0	0	0	106.4	N201 I202 R218 R219 L224	N201-D216 WeakPolarHBondContact CB-OD1 3.44Å; N201-D216 WeakPolarHBondContact O-CA 3.38Å; I202-D216 HydrophobicContact CD1-CB 4.07Å; D216-R218 PolarHBondContact O-N 3.33Å; D216-R218 WeakPolarHBondContact OD1-CB 3.33Å; D216-R218 WeakPolarHBondContact OD1-CG 3.45Å; D216-R218 IonicContact OD1-CZ 3.19Å; D216-R218 PolarHBondContact OD1-N 3.07Å; D216-R218 VanDerWaalsContact OD1-N 3.1Å; D216-R218 IonicContact OD1-NE 2.95Å; D216-R218 PolarHBondContact OD1-NE 3.41Å; D216-R218 IonicContact OD1-NH2 2.71Å; D216-R218 IonicContact OD2-CZ 3.85Å; D216-R218 IonicContact OD2-NE 3.39Å; D216-R218 PolarHBondContact OD2-NE 2.88Å; D216-R218 IonicContact OD2-NH2 3.33Å; D216-R218 PolarHBondContact OD2-NH2 2.77Å; D216-R219 HydrophobicContact CB-CG 4.03Å; D216-R219 WeakPolarHBondContact O-CB 3.43Å; D216-R219 PolarHBondContact O-N 2.69Å; D216-L224 HydrophobicContact CB-CD1 4.17Å; D216-L224 HydrophobicContact CB-CD2 3.86Å; D216-L224 HydrophobicContact CB-CG 4.13Å
217	V	93.3	Very high	93.3	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.055	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12	-172.9	-61.6	0	0	0	0	113.8	L159 L171 L183 W195 N201 L203 R219	L159-V217 HydrophobicContact CD1-CG2 4.09Å; L171-V217 HydrophobicContact CD1-CB 3.84Å; L171-V217 HydrophobicContact CD1-CG1 3.71Å; L183-V217 HydrophobicContact CD1-CG1 4.46Å; W195-V217 HydrophobicContact CH2-CB 4.19Å; W195-V217 HydrophobicContact CH2-CG1 3.48Å; W195-V217 VanDerWaalsContact CH2-CG1 3.48Å; W195-V217 HydrophobicContact CH2-CG2 3.81Å; W195-V217 HydrophobicContact CZ2-CG1 4.4Å; W195-V217 HydrophobicContact CZ3-CG1 3.78Å; W195-V217 HydrophobicContact CZ3-CG2 3.95Å; N201-V217 HydrophobicContact CB-CG2 3.96Å; N201-V217 PolarHBondContact O-N 3.47Å; L203-V217 HydrophobicContact CB-CG1 4.2Å; V217-R219 VanDerWaalsContact C-N 3.33Å
218	R	91.6	Very high	93.1	Very high	175 Å²	175	43.5 Å²	43.5	66%	0.66	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.7	175.1	-56.7	172.6	-64.5	171.3	5.1	112.4	N201 D216	N201-R218 HydrophobicContact CB-CG 4.1Å; D216-R218 PolarHBondContact O-N 3.33Å; D216-R218 WeakPolarHBondContact OD1-CB 3.33Å; D216-R218 WeakPolarHBondContact OD1-CG 3.45Å; D216-R218 IonicContact OD1-CZ 3.19Å; D216-R218 PolarHBondContact OD1-N 3.07Å; D216-R218 VanDerWaalsContact OD1-N 3.1Å; D216-R218 IonicContact OD1-NE 2.95Å; D216-R218 PolarHBondContact OD1-NE 3.41Å; D216-R218 IonicContact OD1-NH2 2.71Å; D216-R218 IonicContact OD2-CZ 3.85Å; D216-R218 IonicContact OD2-NE 3.39Å; D216-R218 PolarHBondContact OD2-NE 2.88Å; D216-R218 IonicContact OD2-NH2 3.33Å; D216-R218 PolarHBondContact OD2-NH2 2.77Å
219	R	91.1	Very high	93	Very high	123 Å²	123	43.2 Å²	43.2	46%	0.464	24%	0.241	S	C	.	.	S	Bend	trans	-79.3	131.3	178.7	-64.3	-176.6	73.6	-170.8	0.3	109.3	D216 V217 S221	D216-R219 HydrophobicContact CB-CG 4.03Å; D216-R219 WeakPolarHBondContact O-CB 3.43Å; D216-R219 PolarHBondContact O-N 2.69Å; V217-R219 VanDerWaalsContact C-N 3.33Å; R219-S221 VanDerWaalsContact C-N 3.27Å; R219-S221 PolarHBondContact O-N 3.14Å
220	A	77.3	Confident	92.9	Very high	114 Å²	114	44 Å²	44	94%	0.942	24%	0.243	S	C	*	.	S	Bend	trans	-69.7	-22.1	-179.3	0	0	0	0	0	113.7
221	S	80.9	Confident	92.7	Very high	103 Å²	103	46 Å²	46	72%	0.72	25%	0.252	S	S	*	.	S	Bend	trans	-155	144	-179.7	-175.2	0	0	0	0	112.3	R219	R219-S221 VanDerWaalsContact C-N 3.27Å; R219-S221 PolarHBondContact O-N 3.14Å
222	G	84.3	Confident	92.2	Very high	33 Å²	33	45.9 Å²	45.9	34%	0.34	27%	0.266	S	S	.	.	S	Bend	trans	84	146.5	174.2	0	0	0	0	0	114.5
223	S	92.3	Very high	91.4	Very high	32 Å²	32	50.3 Å²	50.3	22%	0.224	29%	0.287	C	S	.	.			trans	-69	156.5	163.8	49.5	0	0	0	0	110.1	I214	I214-S223 CarbonylContact O-C 3.54Å; I214-S223 WeakPolarHBondContact O-CA 3.25Å; I214-S223 VanDerWaalsContact O-CB 3.28Å; I214-S223 WeakPolarHBondContact O-CB 3.09Å
224	L	93.9	Very high	90	Very high	63 Å²	63	58.3 Å²	58.3	33%	0.33	32%	0.321	S	S	.	.	S	Bend	trans	-61.6	-50.3	169.3	-67.2	-176.1	0	0	0	110.2	I202 I214 D216	I202-L224 HydrophobicContact CD1-CD1 3.56Å; I214-L224 HydrophobicContact CG2-CD1 4.21Å; I214-L224 WeakPolarHBondContact O-CB 3.36Å; I214-L224 PolarHBondContact O-N 2.95Å; D216-L224 HydrophobicContact CB-CD1 4.17Å; D216-L224 HydrophobicContact CB-CD2 3.86Å; D216-L224 HydrophobicContact CB-CG 4.13Å
225	F	93.8	Very high	88.6	Confident	53 Å²	53	63.5 Å²	63.5	23%	0.232	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	167.3	175.7	53.4	-92.4	0	0	0	110	I214 L227 S276 A277	I214-F225 HydrophobicContact CB-CD2 4.29Å; I214-F225 HydrophobicContact CB-CE1 4.22Å; I214-F225 HydrophobicContact CB-CE2 3.89Å; I214-F225 HydrophobicContact CB-CZ 3.85Å; I214-F225 HydrophobicContact CG1-CD2 4Å; I214-F225 HydrophobicContact CG1-CE2 3.36Å; I214-F225 HydrophobicContact CG1-CZ 3.66Å; I214-F225 HydrophobicContact CG2-CE1 4.27Å; I214-F225 HydrophobicContact CG2-CZ 4.03Å; I214-F225 PolarHBondContact N-O 3.46Å; F225-L227 HydrophobicContact CD2-CD2 4.18Å; F225-L227 HydrophobicContact CE2-CD2 3.82Å; F225-S276 WeakPolarHBondContact CZ-O 3.18Å; F225-A277 WeakPolarHBondContact CE1-O 3.36Å
226	T	95.4	Very high	87.1	Confident	37 Å²	37	69.4 Å²	69.4	23%	0.227	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.7	173.8	-57	0	0	0	0	108.1	K211 V212 N213 D228 N243	K211-T226 HydrophobicContact CB-CG2 4.03Å; K211-T226 HydrophobicContact CD-CG2 4.21Å; K211-T226 HydrophobicContact CG-CG2 4.43Å; V212-T226 WeakPolarHBondContact O-CA 3.22Å; V212-T226 WeakPolarHBondContact O-CG2 3.36Å; N213-T226 WeakPolarHBondContact OD1-CB 3.5Å; N213-T226 WeakPolarHBondContact OD1-CG2 3.45Å; N213-T226 PolarHBondContact OD1-OG1 2.95Å; T226-D228 PolarHBondContact O-N 2.81Å; T226-N243 HydrophobicContact CG2-CB 3.83Å; T226-N243 WeakPolarHBondContact CG2-O 3.32Å
227	L	96.5	Very high	85.5	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.01	39%	0.388	C	S	.	.			trans	-70.7	129.7	177.3	-58	-175.8	0	0	0	110.4	V212 F225 N243 T244 A245 L262 T264 W274 G279	V212-L227 HydrophobicContact CB-CB 4.23Å; V212-L227 HydrophobicContact CB-CD1 3.66Å; V212-L227 HydrophobicContact CB-CG 3.96Å; V212-L227 HydrophobicContact CG1-CD1 3.54Å; V212-L227 HydrophobicContact CG1-CG 4.05Å; V212-L227 HydrophobicContact CG2-CD1 4.38Å; V212-L227 PolarHBondContact O-N 3.07Å; F225-L227 HydrophobicContact CD2-CD2 4.18Å; F225-L227 HydrophobicContact CE2-CD2 3.82Å; L227-N243 CarbonylContact O-C 3.51Å; L227-T244 CarbonylContact O-C 3.54Å; L227-A245 HydrophobicContact CB-CB 4.09Å; L227-A245 PolarHBondContact O-N 3.15Å; L227-L262 HydrophobicContact CD1-CD2 4.05Å; L227-T264 HydrophobicContact CD1-CG2 4.02Å; L227-W274 HydrophobicContact CB-CD2 4.22Å; L227-W274 HydrophobicContact CB-CE3 3.9Å; L227-W274 HydrophobicContact CB-CH2 3.94Å; L227-W274 HydrophobicContact CB-CZ2 4.28Å; L227-W274 HydrophobicContact CB-CZ3 3.75Å; L227-W274 HydrophobicContact CD1-CB 4.3Å; L227-W274 HydrophobicContact CD1-CD2 3.71Å; L227-W274 HydrophobicContact CD1-CE3 4.18Å; L227-W274 HydrophobicContact CD1-CG 3.73Å; L227-W274 HydrophobicContact CD1-CZ2 4.47Å; L227-W274 HydrophobicContact CD2-CB 4.41Å; L227-W274 HydrophobicContact CD2-CD2 4.31Å; L227-W274 HydrophobicContact CD2-CE3 4.09Å; L227-W274 HydrophobicContact CD2-CG 4.46Å; L227-W274 HydrophobicContact CG-CD2 4.31Å; L227-W274 HydrophobicContact CG-CE3 4.28Å; L227-G279 VanDerWaalsContact CD2-CA 3.46Å
228	D	95.1	Very high	84	Confident	17 Å²	17	72.6 Å²	72.6	9%	0.091	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-117	113.5	176.3	177.3	16.1	0	0	0	110.1	T226 H230 N231 G232 W274	T226-D228 PolarHBondContact O-N 2.81Å; D228-H230 PolarHBondContact O-N 2.95Å; D228-H230 PolarHBondContact OD1-N 2.85Å; D228-N231 PolarHBondContact O-N 2.83Å; D228-G232 WeakPolarHBondContact OD2-CA 3.03Å; D228-G232 PolarHBondContact OD2-N 3.43Å; D228-W274 WeakPolarHBondContact O-CZ3 3.38Å
229	Q	94.1	Very high	82.4	Confident	9 Å²	9	69.5 Å²	69.5	4%	0.042	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.5	-177.8	70.8	179.4	8.9	0	0	113.4	T244 A245 N247 R272 W274 N281	Q229-T244 WeakPolarHBondContact CG-O 3.31Å; Q229-T244 PolarHBondContact N-O 3.1Å; Q229-A245 PolarHBondContact OE1-O 3.43Å; Q229-N247 PolarHBondContact NE2-OD1 2.87Å; Q229-R272 VanDerWaalsContact OE1-CZ 3.26Å; Q229-W274 VanDerWaalsContact CA-CH2 3.44Å; Q229-W274 HydrophobicContact CB-CH2 3.93Å; Q229-N281 PolarHBondContact O-ND2 2.94Å
230	H	92.7	Very high	80.7	Confident	43 Å²	43	72.3 Å²	72.3	20%	0.199	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	5.7	179.8	-60.4	-57.6	0	0	0	113.9	D228 G232 E233 K236	D228-H230 PolarHBondContact O-N 2.95Å; D228-H230 PolarHBondContact OD1-N 2.85Å; H230-G232 PolarHBondContact O-N 2.73Å; H230-G232 VanDerWaalsContact O-N 3.11Å; H230-E233 HydrophobicContact CB-CB 4.42Å; H230-E233 VanDerWaalsContact O-CB 3.3Å; H230-E233 WeakPolarHBondContact O-CB 3.03Å; H230-E233 WeakPolarHBondContact O-CG 3.5Å; H230-E233 PolarHBondContact O-N 3.15Å; H230-K236 HydrophobicContact CB-CB 4.49Å
231	N	92.2	Very high	80	Confident	69 Å²	69	68 Å²	68	37%	0.369	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	31.3	178.2	-70.8	-29.3	0	0	0	114.4	D228 K280 N281	D228-N231 PolarHBondContact O-N 2.83Å; N231-K280 WeakPolarHBondContact OD1-CA 3.42Å; N231-N281 PolarHBondContact ND2-O 2.93Å; N231-N281 WeakPolarHBondContact OD1-CB 3.12Å; N231-N281 PolarHBondContact OD1-N 3.05Å
232	G	85.6	Confident	79.6	Confident	50 Å²	50	68.2 Å²	68.2	52%	0.515	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	4.4	-178	0	0	0	0	0	115.2	D228 H230 K234	D228-G232 WeakPolarHBondContact OD2-CA 3.03Å; D228-G232 PolarHBondContact OD2-N 3.43Å; H230-G232 PolarHBondContact O-N 2.73Å; H230-G232 VanDerWaalsContact O-N 3.11Å; G232-K234 PolarHBondContact O-N 2.74Å
233	E	82.7	Confident	79.5	Confident	93 Å²	93	70 Å²	70	44%	0.435	39%	0.389	S	S	.	.			trans	-71	91	176.1	-69.6	-177.4	-175.3	0	0	111.6	H230 S235 K236	H230-E233 HydrophobicContact CB-CB 4.42Å; H230-E233 VanDerWaalsContact O-CB 3.3Å; H230-E233 WeakPolarHBondContact O-CB 3.03Å; H230-E233 WeakPolarHBondContact O-CG 3.5Å; H230-E233 PolarHBondContact O-N 3.15Å; E233-S235 PolarHBondContact O-N 3.41Å; E233-S235 VanDerWaalsContact O-N 3.07Å; E233-K236 PolarHBondContact O-N 3.27Å; E233-K236 VanDerWaalsContact O-N 3.11Å; E233-K236 WeakPolarHBondContact OE2-CD 3.43Å; E233-K236 WeakPolarHBondContact OE2-CE 3.08Å; E233-K236 IonicContact OE2-NZ 3.7Å; E233-K236 PolarHBondContact OE2-NZ 3.33Å
234	K	68.2	Low	79.6	Confident	172 Å²	172	69.1 Å²	69.1	75%	0.748	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.5	-177.4	-62	-172.1	179.8	-175.2	0	114.9	G232 K236	G232-K234 PolarHBondContact O-N 2.74Å; K234-K236 PolarHBondContact O-N 3.07Å
235	S	68.4	Low	79.7	Confident	113 Å²	113	66.1 Å²	66.1	79%	0.79	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.1	178.9	59	0	0	0	0	113.5	E233	E233-S235 PolarHBondContact O-N 3.41Å; E233-S235 VanDerWaalsContact O-N 3.07Å
236	K	64.4	Low	79.8	Confident	126 Å²	126	63.6 Å²	63.6	55%	0.548	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-15	-179.4	-66.2	175.5	-177.9	158	0	113	H230 E233 K234	H230-K236 HydrophobicContact CB-CB 4.49Å; E233-K236 PolarHBondContact O-N 3.27Å; E233-K236 VanDerWaalsContact O-N 3.11Å; E233-K236 WeakPolarHBondContact OE2-CD 3.43Å; E233-K236 WeakPolarHBondContact OE2-CE 3.08Å; E233-K236 IonicContact OE2-NZ 3.7Å; E233-K236 PolarHBondContact OE2-NZ 3.33Å; K234-K236 PolarHBondContact O-N 3.07Å
237	A	61.4	Low	79.8	Confident	25 Å²	25	67.5 Å²	67.5	21%	0.207	38%	0.375	C	S	.	.	S	Bend	trans	-89.6	126.7	177.1	0	0	0	0	0	110.4
238	S	62.5	Low	79.7	Confident	72 Å²	72	68 Å²	68	50%	0.503	38%	0.381	S	S	.	.			trans	-69	153.1	161.1	72.9	0	0	0	0	108.9	Q240 A241	S238-Q240 PolarHBondContact O-N 3.38Å; S238-A241 PolarHBondContact O-N 3.29Å; S238-A241 VanDerWaalsContact OG-CB 3.29Å; S238-A241 WeakPolarHBondContact OG-CB 3.24Å; S238-A241 PolarHBondContact OG-N 3.29Å
239	S	58	Low	79.7	Confident	110 Å²	110	72.4 Å²	72.4	77%	0.769	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-15.8	-179.2	53.6	0	0	0	0	114.6
240	Q	55.3	Low	79.9	Confident	182 Å²	182	72 Å²	72	85%	0.85	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-12.8	175.5	-69.6	-88.5	-18.5	0	0	113.3	S238	S238-Q240 PolarHBondContact O-N 3.38Å
241	A	61.3	Low	80.2	Confident	25 Å²	25	70 Å²	70	21%	0.207	39%	0.385	C	S	.	.			trans	-106.4	16.6	-174.3	0	0	0	0	0	113.7	S238 N243 T244	S238-A241 PolarHBondContact O-N 3.29Å; S238-A241 VanDerWaalsContact OG-CB 3.29Å; S238-A241 WeakPolarHBondContact OG-CB 3.24Å; S238-A241 PolarHBondContact OG-N 3.29Å; A241-N243 PolarHBondContact O-N 2.91Å; A241-T244 PolarHBondContact O-OG1 3Å
242	E	72.6	Confident	80.4	Confident	107 Å²	107	66.7 Å²	66.7	50%	0.5	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	127.6	178.1	-65.6	-171	166.7	0	0	111.3	K211	K211-E242 PolarHBondContact NZ-O 3.11Å
243	N	83.4	Confident	81	Confident	70 Å²	70	64.6 Å²	64.6	37%	0.374	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	47.8	180	-49.6	-63.2	0	0	0	113.9	K211 T226 L227 A241	K211-N243 WeakPolarHBondContact CD-O 3.39Å; K211-N243 WeakPolarHBondContact CE-O 3.42Å; K211-N243 WeakPolarHBondContact CG-O 3.49Å; T226-N243 HydrophobicContact CG2-CB 3.83Å; T226-N243 WeakPolarHBondContact CG2-O 3.32Å; L227-N243 CarbonylContact O-C 3.51Å; A241-N243 PolarHBondContact O-N 2.91Å
244	T	93.8	Very high	81.8	Confident	13 Å²	13	60.7 Å²	60.7	8%	0.08	33%	0.327	C	S	.	.			trans	-97.5	142.1	166.9	57.8	0	0	0	0	110.7	K211 L227 Q229 A241	K211-T244 HydrophobicContact CG-CG2 4.41Å; L227-T244 CarbonylContact O-C 3.54Å; Q229-T244 WeakPolarHBondContact CG-O 3.31Å; Q229-T244 PolarHBondContact N-O 3.1Å; A241-T244 PolarHBondContact O-OG1 3Å
245	A	96	Very high	83.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-86.4	-29.9	177.3	0	0	0	0	0	111.6	S210 V212 L227 Q229 V250 R272 W274	S210-A245 PolarHBondContact O-N 3.22Å; V212-A245 HydrophobicContact CB-CB 4.17Å; V212-A245 HydrophobicContact CG2-CB 3.79Å; L227-A245 HydrophobicContact CB-CB 4.09Å; L227-A245 PolarHBondContact O-N 3.15Å; Q229-A245 PolarHBondContact OE1-O 3.43Å; A245-V250 HydrophobicContact CB-CG2 4.28Å; A245-R272 VanDerWaalsContact O-CD 3.22Å; A245-R272 WeakPolarHBondContact O-CD 3.45Å; A245-R272 PolarHBondContact O-NE 2.82Å; A245-R272 PolarHBondContact O-NH1 2.86Å; A245-W274 HydrophobicContact CB-CH2 4.14Å; A245-W274 HydrophobicContact CB-CZ2 3.88Å
246	H	96.4	Very high	84.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.257	C	S	.	.	S	Bend	trans	-139.8	164.3	-178.9	-72.8	-108.6	0	0	0	109.9	S210 G248 V250 T264 G266 D268 R270 R272	S210-H246 WeakPolarHBondContact CB-O 3.38Å; S210-H246 PolarHBondContact O-N 3.35Å; H246-G248 PolarHBondContact O-N 2.94Å; H246-V250 HydrophobicContact CB-CG2 3.93Å; H246-T264 PolarHBondContact CE1-O 3.22Å; H246-T264 WeakPolarHBondContact NE2-CB 3.38Å; H246-T264 PolarHBondContact NE2-O 3.13Å; H246-T264 PolarHBondContact NE2-OG1 2.88Å; H246-G266 PolarHBondContact CE1-N 3.33Å; H246-G266 VanDerWaalsContact CE1-N 3.27Å; H246-G266 WeakPolarHBondContact ND1-CA 3.33Å; H246-G266 PolarHBondContact ND1-N 3.08Å; H246-D268 WeakPolarHBondContact CB-OD2 3.45Å; H246-D268 IonicContact CE1-OD1 3.01Å; H246-D268 IonicContact CG-OD1 3.63Å; H246-D268 IonicContact CG-OD2 2.91Å; H246-D268 IonicContact ND1-OD1 3.43Å; H246-D268 PolarHBondContact ND1-OD1 2.75Å; H246-D268 IonicContact ND1-OD2 3.34Å; H246-D268 PolarHBondContact ND1-OD2 2.93Å; H246-R270 PolarHBondContact CE1-O 2.89Å; H246-R272 PolarHBondContact CE1-NH1 2.83Å; H246-R272 VanDerWaalsContact CG-NH1 3.26Å; H246-R272 PolarHBondContact ND1-NH1 3.43Å
247	N	94.4	Very high	85.9	Confident	119 Å²	119	44 Å²	44	64%	0.636	25%	0.246	S	C	*	.	S	Bend	trans	-86.7	23.8	171.8	-66.8	-30.7	0	0	0	112.7	Q229 D268	Q229-N247 PolarHBondContact NE2-OD1 2.87Å; N247-D268 HydrophobicContact CB-CB 4.01Å; N247-D268 PolarHBondContact N-OD2 3.47Å
248	G	94.3	Very high	87.5	Confident	12 Å²	12	45.3 Å²	45.3	12%	0.124	25%	0.249	C	C	.	.	S	Bend	trans	-168.9	-174.3	-175.3	0	0	0	0	0	110.4	S210 H246 V250	S210-G248 VanDerWaalsContact CA-O 3.29Å; S210-G248 WeakPolarHBondContact CA-O 3.43Å; S210-G248 WeakPolarHBondContact CB-O 3.37Å; S210-G248 PolarHBondContact OG-O 3.33Å; S210-G248 VanDerWaalsContact OG-O 3.09Å; H246-G248 PolarHBondContact O-N 2.94Å; G248-V250 PolarHBondContact O-N 3.35Å
249	R	96.8	Very high	89.1	Confident	110 Å²	110	41.9 Å²	41.9	42%	0.415	23%	0.225	S	C	.	.			trans	-62.1	135.7	-178.1	-57.3	179.7	-179.8	-177.9	-1.4	109.7	L191 A208 G266 T267	L191-R249 HydrophobicContact CD1-CB 4.04Å; A208-R249 HydrophobicContact CB-CB 4.35Å; A208-R249 HydrophobicContact CB-CG 3.93Å; R249-G266 CarbonylContact O-C 3.52Å; R249-G266 WeakPolarHBondContact O-CA 3.48Å; R249-T267 HydrophobicContact CB-CG2 3.97Å; R249-T267 PolarHBondContact N-OG1 3.44Å; R249-T267 PolarHBondContact O-N 3.12Å
250	V	98.2	Very high	90.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.3	172.8	-167.2	0	0	0	0	108.2	A206 S207 V212 A245 H246 G248 T265	A206-V250 HydrophobicContact CB-CB 3.88Å; A206-V250 HydrophobicContact CB-CG1 3.65Å; S207-V250 PolarHBondContact O-N 3.34Å; S207-V250 VanDerWaalsContact O-N 3.08Å; V212-V250 HydrophobicContact CG2-CB 4.1Å; V212-V250 HydrophobicContact CG2-CG1 3.64Å; V212-V250 HydrophobicContact CG2-CG2 4.08Å; A245-V250 HydrophobicContact CB-CG2 4.28Å; H246-V250 HydrophobicContact CB-CG2 3.93Å; G248-V250 PolarHBondContact O-N 3.35Å; V250-T265 WeakPolarHBondContact CG1-O 3.28Å
251	N	97.6	Very high	93	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	-3	-171.2	67.6	-24.9	0	0	0	114.3	L191 T265 N291 S293 K295 R296 L297	L191-N251 HydrophobicContact CB-CB 4.16Å; L191-N251 HydrophobicContact CD1-CB 3.77Å; N251-T265 PolarHBondContact N-O 2.65Å; N251-T265 VanDerWaalsContact N-O 3.11Å; N251-T265 PolarHBondContact OD1-O 2.92Å; N251-N291 PolarHBondContact ND2-OD1 3.16Å; N251-N291 VanDerWaalsContact ND2-OD1 3.15Å; N251-N291 PolarHBondContact OD1-ND2 2.96Å; N251-S293 PolarHBondContact ND2-O 2.83Å; N251-K295 WeakPolarHBondContact CB-O 3.25Å; N251-K295 PolarHBondContact ND2-O 2.88Å; N251-R296 WeakPolarHBondContact O-CA 3.5Å; N251-L297 PolarHBondContact O-N 2.91Å
252	G	97.5	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142	171.2	0	0	0	0	0	112.4	T264 T265	G252-T264 WeakPolarHBondContact O-CA 3.31Å; G252-T265 VanDerWaalsContact CA-OG1 3.25Å; G252-T265 WeakPolarHBondContact CA-OG1 3.39Å; G252-T265 PolarHBondContact N-O 2.87Å; G252-T265 PolarHBondContact N-OG1 2.83Å; G252-T265 PolarHBondContact O-N 3.18Å; G252-T265 VanDerWaalsContact O-N 3.14Å
253	L	98.4	Very high	96	Very high	6 Å²	6	28 Å²	28	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133	175.1	-73.3	175.3	0	0	0	109.7	A192 R194 A204 A206 V212 L262 L263 T264	A192-L253 HydrophobicContact CB-CB 4.28Å; A192-L253 HydrophobicContact CB-CD1 4.05Å; A192-L253 HydrophobicContact CB-CG 4.08Å; R194-L253 HydrophobicContact CB-CB 4.08Å; R194-L253 HydrophobicContact CB-CD1 4.49Å; A204-L253 HydrophobicContact CB-CD1 4.26Å; A206-L253 HydrophobicContact CB-CD1 3.57Å; A206-L253 HydrophobicContact CB-CD2 4.02Å; A206-L253 HydrophobicContact CB-CG 3.65Å; V212-L253 HydrophobicContact CG1-CD2 4.04Å; V212-L253 HydrophobicContact CG2-CD2 4.41Å; L253-L262 HydrophobicContact CD2-CD1 4.09Å; L253-L262 HydrophobicContact CD2-CD2 4.15Å; L253-L262 HydrophobicContact CD2-CG 4.33Å; L253-L263 WeakPolarHBondContact CA-O 3.27Å; L253-T264 HydrophobicContact CD2-CG2 3.78Å
254	C	98.3	Very high	96.7	Very high	12 Å²	12	24.6 Å²	24.6	8%	0.081	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	127.8	171.2	-162.1	0	0	0	0	110.3	L263 F299	C254-L263 PolarHBondContact N-O 2.96Å; C254-L263 VanDerWaalsContact N-O 3.09Å; C254-L263 WeakPolarHBondContact O-CB 3.14Å; C254-L263 PolarHBondContact O-N 2.88Å; C254-F299 HydrophobicContact CB-CD2 3.78Å; C254-F299 HydrophobicContact CB-CE1 4.19Å; C254-F299 HydrophobicContact CB-CE2 3.23Å; C254-F299 HydrophobicContact CB-CG 4.45Å; C254-F299 HydrophobicContact CB-CZ 3.47Å; C254-F299 VanDerWaalsContact CB-CZ 3.47Å; C254-F299 PolarHBondContact SG-O 2.92Å
255	F	98.3	Very high	96.9	Very high	15 Å²	15	24.1 Å²	24.1	7%	0.066	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	152.1	172.1	-82.1	-81.8	0	0	0	109.8	R194 W195 P197 A204 Y261 L262	R194-F255 HydrophobicContact CB-CD2 4.41Å; R194-F255 HydrophobicContact CB-CE2 4.41Å; R194-F255 HydrophobicContact CG-CD2 3.92Å; R194-F255 HydrophobicContact CG-CE2 4.39Å; W195-F255 VanDerWaalsContact O-CD2 3.32Å; W195-F255 WeakPolarHBondContact O-CD2 3.18Å; P197-F255 VanDerWaalsContact CD-CB 3.44Å; P197-F255 HydrophobicContact CG-CB 3.84Å; P197-F255 HydrophobicContact CG-CG 4.45Å; A204-F255 HydrophobicContact CB-CE2 3.86Å; A204-F255 HydrophobicContact CB-CZ 3.86Å; F255-Y261 WeakPolarHBondContact CD1-O 3.48Å; F255-L262 HydrophobicContact CD1-CB 4.22Å; F255-L262 HydrophobicContact CD1-CD1 4.1Å; F255-L262 HydrophobicContact CD2-CD1 4.02Å; F255-L262 HydrophobicContact CE1-CB 4.08Å; F255-L262 HydrophobicContact CE1-CD1 4.08Å; F255-L262 HydrophobicContact CE2-CD1 3.99Å; F255-L262 HydrophobicContact CG-CD1 4.06Å; F255-L262 HydrophobicContact CZ-CD1 4.03Å
256	T	97.2	Very high	97	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	12%	0.122	C	C	.	.			trans	-66.2	160.6	164.9	52.2	0	0	0	0	110.9	P197 D258 G259 L260 Y261 L323	P197-T256 WeakPolarHBondContact CG-O 3.46Å; T256-D258 WeakPolarHBondContact CB-OD1 3.2Å; T256-D258 PolarHBondContact O-N 3.27Å; T256-D258 PolarHBondContact OG1-OD1 3.21Å; T256-G259 WeakPolarHBondContact O-CA 3.37Å; T256-G259 PolarHBondContact O-N 3.18Å; T256-L260 PolarHBondContact OG1-N 3.16Å; T256-Y261 HydrophobicContact CG2-CD2 4.45Å; T256-Y261 PolarHBondContact N-O 2.9Å; T256-Y261 PolarHBondContact OG1-N 2.97Å; T256-Y261 PolarHBondContact OG1-O 2.9Å; T256-L323 HydrophobicContact CG2-CD1 4.06Å; T256-L323 HydrophobicContact CG2-CD2 3.54Å; T256-L323 HydrophobicContact CG2-CG 4.37Å
257	S	92.4	Very high	97	Very high	44 Å²	44	26.6 Å²	26.6	31%	0.308	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.9	-175.6	70.7	0	0	0	0	113.2	G259 H303 E308	S257-G259 VanDerWaalsContact C-N 3.34Å; S257-H303 WeakPolarHBondContact CB-ND1 3.45Å; S257-E308 WeakPolarHBondContact CB-OE1 3.41Å; S257-E308 PolarHBondContact OG-OE1 2.82Å
258	D	94.3	Very high	97.1	Very high	52 Å²	52	22.4 Å²	22.4	28%	0.278	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9	177.7	65.7	-0.3	0	0	0	114.3	R198 T256 L260	R198-D258 WeakPolarHBondContact CD-O 3.37Å; R198-D258 PolarHBondContact NH1-O 2.97Å; T256-D258 WeakPolarHBondContact CB-OD1 3.2Å; T256-D258 PolarHBondContact O-N 3.27Å; T256-D258 PolarHBondContact OG1-OD1 3.21Å; D258-L260 HydrophobicContact CB-CG 4.26Å; D258-L260 PolarHBondContact O-N 3.05Å; D258-L260 PolarHBondContact OD1-N 2.78Å; D258-L260 WeakPolarHBondContact OD2-CB 3.33Å; D258-L260 VanDerWaalsContact OD2-CD1 3.24Å; D258-L260 WeakPolarHBondContact OD2-CD1 3.45Å; D258-L260 WeakPolarHBondContact OD2-CG 3.43Å
259	G	96.1	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	66.1	11.5	-174.5	0	0	0	0	0	115.4	T256 S257 Y261 S276	T256-G259 WeakPolarHBondContact O-CA 3.37Å; T256-G259 PolarHBondContact O-N 3.18Å; S257-G259 VanDerWaalsContact C-N 3.34Å; G259-Y261 VanDerWaalsContact C-N 3.35Å; G259-S276 WeakPolarHBondContact O-CB 3.23Å; G259-S276 PolarHBondContact O-OG 3.07Å
260	L	96.8	Very high	97.2	Very high	67 Å²	67	23.5 Å²	23.5	35%	0.351	12%	0.119	S	C	.	.	S	Bend	trans	-77.6	-22.1	179.8	-66.3	-174.5	0	0	0	113.1	T256 D258 S276	T256-L260 PolarHBondContact OG1-N 3.16Å; D258-L260 HydrophobicContact CB-CG 4.26Å; D258-L260 PolarHBondContact O-N 3.05Å; D258-L260 PolarHBondContact OD1-N 2.78Å; D258-L260 WeakPolarHBondContact OD2-CB 3.33Å; D258-L260 VanDerWaalsContact OD2-CD1 3.24Å; D258-L260 WeakPolarHBondContact OD2-CD1 3.45Å; D258-L260 WeakPolarHBondContact OD2-CG 3.43Å; L260-S276 WeakPolarHBondContact CA-OG 3.46Å; L260-S276 WeakPolarHBondContact O-CB 3.46Å; L260-S276 PolarHBondContact O-N 2.79Å; L260-S276 PolarHBondContact O-OG 3.48Å
261	Y	98.1	Very high	97.2	Very high	64 Å²	64	23.8 Å²	23.8	25%	0.251	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.5	175.8	-55.3	-94.7	0	0	0	112	F255 T256 G259 L273 W274 T282 H324	F255-Y261 WeakPolarHBondContact CD1-O 3.48Å; T256-Y261 HydrophobicContact CG2-CD2 4.45Å; T256-Y261 PolarHBondContact N-O 2.9Å; T256-Y261 PolarHBondContact OG1-N 2.97Å; T256-Y261 PolarHBondContact OG1-O 2.9Å; G259-Y261 VanDerWaalsContact C-N 3.35Å; Y261-L273 HydrophobicContact CD1-CD1 4.35Å; Y261-L273 HydrophobicContact CD1-CD2 4.23Å; Y261-L273 HydrophobicContact CD1-CG 4.1Å; Y261-L273 HydrophobicContact CG-CD1 4.15Å; Y261-L273 HydrophobicContact CG-CG 4.39Å; Y261-W274 CarbonylContact C-O 3.6Å; Y261-W274 WeakPolarHBondContact CA-O 3.45Å; Y261-W274 VanDerWaalsContact CB-O 3.3Å; Y261-W274 WeakPolarHBondContact CB-O 3.46Å; Y261-W274 WeakPolarHBondContact CD1-O 3.25Å; Y261-T282 HydrophobicContact CD1-CG2 3.95Å; Y261-T282 HydrophobicContact CE1-CG2 3.8Å; Y261-H324 AromaticContact CD2-CE1 3.97Å; Y261-H324 AromaticContact CE2-CE1 3.74Å
262	L	98.6	Very high	97.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.8	173.1	177.8	63.9	0	0	0	108	A204 V212 I214 L227 L253 F255 T264 W274	A204-L262 HydrophobicContact CB-CD1 4.37Å; A204-L262 HydrophobicContact CB-CD2 3.83Å; V212-L262 HydrophobicContact CG1-CD2 4.24Å; I214-L262 HydrophobicContact CD1-CD2 3.84Å; L227-L262 HydrophobicContact CD1-CD2 4.05Å; L253-L262 HydrophobicContact CD2-CD1 4.09Å; L253-L262 HydrophobicContact CD2-CD2 4.15Å; L253-L262 HydrophobicContact CD2-CG 4.33Å; F255-L262 HydrophobicContact CD1-CB 4.22Å; F255-L262 HydrophobicContact CD1-CD1 4.1Å; F255-L262 HydrophobicContact CD2-CD1 4.02Å; F255-L262 HydrophobicContact CE1-CB 4.08Å; F255-L262 HydrophobicContact CE1-CD1 4.08Å; F255-L262 HydrophobicContact CE2-CD1 3.99Å; F255-L262 HydrophobicContact CG-CD1 4.06Å; F255-L262 HydrophobicContact CZ-CD1 4.03Å; L262-T264 HydrophobicContact CD2-CG2 4.44Å; L262-T264 HydrophobicContact CG-CG2 4.36Å; L262-W274 HydrophobicContact CB-CB 4.48Å; L262-W274 PolarHBondContact N-O 2.77Å; L262-W274 PolarHBondContact O-N 2.78Å
263	L	98.6	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.5	168.6	-74.2	164.3	0	0	0	109.6	L253 C254 M271 R272 L273 Y286 F299 V301 V310 L323	L253-L263 WeakPolarHBondContact CA-O 3.27Å; C254-L263 PolarHBondContact N-O 2.96Å; C254-L263 VanDerWaalsContact N-O 3.09Å; C254-L263 WeakPolarHBondContact O-CB 3.14Å; C254-L263 PolarHBondContact O-N 2.88Å; L263-M271 HydrophobicContact CD2-CG 4Å; L263-M271 HydrophobicContact CD2-SD 3.99Å; L263-R272 WeakPolarHBondContact CA-O 3.47Å; L263-L273 HydrophobicContact CD2-CB 3.95Å; L263-L273 HydrophobicContact CD2-CD1 3.62Å; L263-L273 HydrophobicContact CD2-CG 4.42Å; L263-L273 HydrophobicContact CG-CD1 3.84Å; L263-Y286 HydrophobicContact CD2-CE2 4.35Å; L263-F299 HydrophobicContact CB-CE2 3.72Å; L263-F299 HydrophobicContact CB-CZ 3.77Å; L263-F299 HydrophobicContact CD1-CE2 4.01Å; L263-V301 HydrophobicContact CD1-CG2 3.74Å; L263-V310 HydrophobicContact CD1-CB 3.91Å; L263-V310 HydrophobicContact CD1-CG1 4.49Å; L263-V310 HydrophobicContact CD1-CG2 3.56Å; L263-L323 HydrophobicContact CD1-CD1 3.65Å; L263-L323 HydrophobicContact CD2-CD1 4.3Å; L263-L323 HydrophobicContact CG-CD1 4.2Å
264	T	98.6	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138	173.9	63.9	0	0	0	0	109.6	V212 L227 H246 G252 L253 L262 M271 R272 W274	V212-T264 HydrophobicContact CG1-CG2 4.46Å; V212-T264 HydrophobicContact CG2-CG2 3.91Å; L227-T264 HydrophobicContact CD1-CG2 4.02Å; H246-T264 PolarHBondContact CE1-O 3.22Å; H246-T264 WeakPolarHBondContact NE2-CB 3.38Å; H246-T264 PolarHBondContact NE2-O 3.13Å; H246-T264 PolarHBondContact NE2-OG1 2.88Å; G252-T264 WeakPolarHBondContact O-CA 3.31Å; L253-T264 HydrophobicContact CD2-CG2 3.78Å; L262-T264 HydrophobicContact CD2-CG2 4.44Å; L262-T264 HydrophobicContact CG-CG2 4.36Å; T264-M271 CarbonylContact O-C 3.55Å; T264-M271 VanDerWaalsContact O-CA 3.29Å; T264-M271 WeakPolarHBondContact O-CA 3.38Å; T264-R272 PolarHBondContact N-O 3.11Å; T264-R272 PolarHBondContact O-N 3.44Å; T264-W274 VanDerWaalsContact CG2-NE1 3.33Å; T264-W274 PolarHBondContact OG1-NE1 2.95Å
265	T	98.1	Very high	97.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.3	169.8	61.2	0	0	0	0	109.5	V250 N251 G252 M271 F299 V312	V250-T265 WeakPolarHBondContact CG1-O 3.28Å; N251-T265 PolarHBondContact N-O 2.65Å; N251-T265 VanDerWaalsContact N-O 3.11Å; N251-T265 PolarHBondContact OD1-O 2.92Å; G252-T265 VanDerWaalsContact CA-OG1 3.25Å; G252-T265 WeakPolarHBondContact CA-OG1 3.39Å; G252-T265 PolarHBondContact N-O 2.87Å; G252-T265 PolarHBondContact N-OG1 2.83Å; G252-T265 PolarHBondContact O-N 3.18Å; G252-T265 VanDerWaalsContact O-N 3.14Å; T265-M271 HydrophobicContact CG2-CB 4.21Å; T265-M271 HydrophobicContact CG2-CG 4.03Å; T265-M271 HydrophobicContact CG2-SD 4.17Å; T265-F299 HydrophobicContact CG2-CD1 4.2Å; T265-F299 HydrophobicContact CG2-CE1 3.74Å; T265-F299 HydrophobicContact CG2-CZ 4.02Å; T265-V312 HydrophobicContact CG2-CG1 4.24Å
266	G	97.3	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	167.8	-179.6	0	0	0	0	0	112.6	H246 R249 D268 D269 R270 N291	H246-G266 PolarHBondContact CE1-N 3.33Å; H246-G266 VanDerWaalsContact CE1-N 3.27Å; H246-G266 WeakPolarHBondContact ND1-CA 3.33Å; H246-G266 PolarHBondContact ND1-N 3.08Å; R249-G266 CarbonylContact O-C 3.52Å; R249-G266 WeakPolarHBondContact O-CA 3.48Å; G266-D268 PolarHBondContact O-N 3.11Å; G266-D268 VanDerWaalsContact O-N 3.12Å; G266-D269 PolarHBondContact O-N 2.92Å; G266-R270 PolarHBondContact N-O 2.93Å; G266-N291 VanDerWaalsContact C-ND2 3.28Å; G266-N291 WeakPolarHBondContact O-CB 3.33Å; G266-N291 PolarHBondContact O-ND2 2.94Å; G266-N291 VanDerWaalsContact O-ND2 3.07Å
267	T	96.8	Very high	97.1	Very high	53 Å²	53	29.3 Å²	29.3	33%	0.325	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	9.3	179.6	66	0	0	0	0	113.2	R249	R249-T267 HydrophobicContact CB-CG2 3.97Å; R249-T267 PolarHBondContact N-OG1 3.44Å; R249-T267 PolarHBondContact O-N 3.12Å
268	D	96.1	Very high	97.2	Very high	31 Å²	31	31 Å²	31	17%	0.166	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	13.8	170.3	65.9	-22	0	0	0	112.1	H246 N247 G266 R270 R272	H246-D268 WeakPolarHBondContact CB-OD2 3.45Å; H246-D268 IonicContact CE1-OD1 3.01Å; H246-D268 IonicContact CG-OD1 3.63Å; H246-D268 IonicContact CG-OD2 2.91Å; H246-D268 IonicContact ND1-OD1 3.43Å; H246-D268 PolarHBondContact ND1-OD1 2.75Å; H246-D268 IonicContact ND1-OD2 3.34Å; H246-D268 PolarHBondContact ND1-OD2 2.93Å; N247-D268 HydrophobicContact CB-CB 4.01Å; N247-D268 PolarHBondContact N-OD2 3.47Å; G266-D268 PolarHBondContact O-N 3.11Å; G266-D268 VanDerWaalsContact O-N 3.12Å; D268-R270 PolarHBondContact O-N 2.9Å; D268-R270 PolarHBondContact OD1-N 3.49Å; D268-R272 IonicContact OD1-NH1 2.79Å; D268-R272 IonicContact OD2-CZ 3.38Å; D268-R272 IonicContact OD2-NH1 3.84Å; D268-R272 PolarHBondContact OD2-NH1 2.74Å; D268-R272 IonicContact OD2-NH2 3.52Å; D268-R272 PolarHBondContact OD2-NH2 2.88Å
269	D	97.1	Very high	97.3	Very high	39 Å²	39	29 Å²	29	21%	0.209	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	35.8	-175.1	-63.1	-28.9	0	0	0	113.8	G266 K288 V289 C290 N291	G266-D269 PolarHBondContact O-N 2.92Å; D269-K288 HydrophobicContact CB-CD 4.45Å; D269-K288 HydrophobicContact CB-CG 3.81Å; D269-K288 WeakPolarHBondContact OD2-CE 3.43Å; D269-K288 IonicContact OD2-NZ 2.95Å; D269-K288 PolarHBondContact OD2-NZ 2.9Å; D269-V289 CarbonylContact C-O 3.47Å; D269-V289 WeakPolarHBondContact CA-O 3.35Å; D269-V289 PolarHBondContact O-N 3.17Å; D269-C290 WeakPolarHBondContact OD1-CA 3.26Å; D269-N291 PolarHBondContact OD1-N 2.76Å
270	R	97.3	Very high	97.3	Very high	107 Å²	107	35.4 Å²	35.4	40%	0.404	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.2	178.4	-63.4	-62	-177	166.5	5.4	111.8	H246 G266 D268 R272 G287	H246-R270 PolarHBondContact CE1-O 2.89Å; G266-R270 PolarHBondContact N-O 2.93Å; D268-R270 PolarHBondContact O-N 2.9Å; D268-R270 PolarHBondContact OD1-N 3.49Å; R270-R272 VanDerWaalsContact CB-NH1 3.35Å; R270-G287 PolarHBondContact NH1-O 3.08Å
271	M	98.1	Very high	97.3	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.1	160.5	-176.8	165.3	63.9	0	0	108.4	L263 T264 T265 Y286 V289 V310 V312 Y321	L263-M271 HydrophobicContact CD2-CG 4Å; L263-M271 HydrophobicContact CD2-SD 3.99Å; T264-M271 CarbonylContact O-C 3.55Å; T264-M271 VanDerWaalsContact O-CA 3.29Å; T264-M271 WeakPolarHBondContact O-CA 3.38Å; T265-M271 HydrophobicContact CG2-CB 4.21Å; T265-M271 HydrophobicContact CG2-CG 4.03Å; T265-M271 HydrophobicContact CG2-SD 4.17Å; M271-Y286 HydrophobicContact CB-CD2 3.98Å; M271-Y286 HydrophobicContact CB-CG 4.32Å; M271-Y286 HydrophobicContact CE-CD1 3.34Å; M271-Y286 HydrophobicContact CE-CD2 3.8Å; M271-Y286 HydrophobicContact CE-CE1 3.7Å; M271-Y286 HydrophobicContact CE-CE2 4.1Å; M271-Y286 HydrophobicContact CE-CG 3.4Å; M271-Y286 HydrophobicContact CG-CD2 4.07Å; M271-Y286 HydrophobicContact CG-CE2 4.26Å; M271-Y286 WeakPolarHBondContact O-CD2 3.45Å; M271-V289 HydrophobicContact CB-CB 4.41Å; M271-V289 HydrophobicContact CB-CG2 3.99Å; M271-V310 HydrophobicContact CE-CG1 3.6Å; M271-V310 HydrophobicContact SD-CG1 4.26Å; M271-V310 HydrophobicContact SD-CG2 4.19Å; M271-V312 HydrophobicContact CE-CG2 4.11Å; M271-V312 HydrophobicContact SD-CG2 3.58Å; M271-V312 VanDerWaalsContact SD-CG2 3.58Å; M271-Y321 HydrophobicContact CE-CD2 4.05Å; M271-Y321 HydrophobicContact CE-CG 4.36Å
272	R	98.5	Very high	97.3	Very high	30 Å²	30	32.3 Å²	32.3	11%	0.113	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.9	177.1	-67.9	177.5	-177.5	76.7	-6.1	110	Q229 A245 H246 L263 T264 D268 R270 W274	Q229-R272 VanDerWaalsContact OE1-CZ 3.26Å; A245-R272 VanDerWaalsContact O-CD 3.22Å; A245-R272 WeakPolarHBondContact O-CD 3.45Å; A245-R272 PolarHBondContact O-NE 2.82Å; A245-R272 PolarHBondContact O-NH1 2.86Å; H246-R272 PolarHBondContact CE1-NH1 2.83Å; H246-R272 VanDerWaalsContact CG-NH1 3.26Å; H246-R272 PolarHBondContact ND1-NH1 3.43Å; L263-R272 WeakPolarHBondContact CA-O 3.47Å; T264-R272 PolarHBondContact N-O 3.11Å; T264-R272 PolarHBondContact O-N 3.44Å; D268-R272 IonicContact OD1-NH1 2.79Å; D268-R272 IonicContact OD2-CZ 3.38Å; D268-R272 IonicContact OD2-NH1 3.84Å; D268-R272 PolarHBondContact OD2-NH1 2.74Å; D268-R272 IonicContact OD2-NH2 3.52Å; D268-R272 PolarHBondContact OD2-NH2 2.88Å; R270-R272 VanDerWaalsContact CB-NH1 3.35Å; R272-W274 HydrophobicContact CB-CZ2 3.76Å; R272-W274 HydrophobicContact CG-CZ2 4.3Å; R272-W274 PolarHBondContact O-NE1 3.21Å
273	L	98.6	Very high	97.2	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.8	176.5	179.9	76	0	0	0	109.5	Y261 L263 N281 T282 V284 Y286 L323	Y261-L273 HydrophobicContact CD1-CD1 4.35Å; Y261-L273 HydrophobicContact CD1-CD2 4.23Å; Y261-L273 HydrophobicContact CD1-CG 4.1Å; Y261-L273 HydrophobicContact CG-CD1 4.15Å; Y261-L273 HydrophobicContact CG-CG 4.39Å; L263-L273 HydrophobicContact CD2-CB 3.95Å; L263-L273 HydrophobicContact CD2-CD1 3.62Å; L263-L273 HydrophobicContact CD2-CG 4.42Å; L263-L273 HydrophobicContact CG-CD1 3.84Å; L273-N281 PolarHBondContact O-OD1 2.81Å; L273-T282 WeakPolarHBondContact CB-OG1 3.42Å; L273-T282 HydrophobicContact CD2-CG2 4.28Å; L273-T282 HydrophobicContact CG-CG2 4.24Å; L273-T282 WeakPolarHBondContact O-CB 3.39Å; L273-T282 WeakPolarHBondContact O-CG2 3.33Å; L273-T282 PolarHBondContact O-N 2.7Å; L273-T282 PolarHBondContact O-OG1 3.45Å; L273-V284 HydrophobicContact CD2-CG2 3.96Å; L273-Y286 HydrophobicContact CB-CE2 4.1Å; L273-Y286 VanDerWaalsContact CB-OH 3.29Å; L273-Y286 WeakPolarHBondContact CB-OH 3.41Å; L273-L323 HydrophobicContact CD1-CD1 4.08Å
274	W	98.5	Very high	97.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.8	-172.3	-49.9	86.9	0	0	0	110.1	L227 D228 Q229 A245 Y261 L262 T264 R272 S276 K280 N281	L227-W274 HydrophobicContact CB-CD2 4.22Å; L227-W274 HydrophobicContact CB-CE3 3.9Å; L227-W274 HydrophobicContact CB-CH2 3.94Å; L227-W274 HydrophobicContact CB-CZ2 4.28Å; L227-W274 HydrophobicContact CB-CZ3 3.75Å; L227-W274 HydrophobicContact CD1-CB 4.3Å; L227-W274 HydrophobicContact CD1-CD2 3.71Å; L227-W274 HydrophobicContact CD1-CE3 4.18Å; L227-W274 HydrophobicContact CD1-CG 3.73Å; L227-W274 HydrophobicContact CD1-CZ2 4.47Å; L227-W274 HydrophobicContact CD2-CB 4.41Å; L227-W274 HydrophobicContact CD2-CD2 4.31Å; L227-W274 HydrophobicContact CD2-CE3 4.09Å; L227-W274 HydrophobicContact CD2-CG 4.46Å; L227-W274 HydrophobicContact CG-CD2 4.31Å; L227-W274 HydrophobicContact CG-CE3 4.28Å; D228-W274 WeakPolarHBondContact O-CZ3 3.38Å; Q229-W274 VanDerWaalsContact CA-CH2 3.44Å; Q229-W274 HydrophobicContact CB-CH2 3.93Å; A245-W274 HydrophobicContact CB-CH2 4.14Å; A245-W274 HydrophobicContact CB-CZ2 3.88Å; Y261-W274 CarbonylContact C-O 3.6Å; Y261-W274 WeakPolarHBondContact CA-O 3.45Å; Y261-W274 VanDerWaalsContact CB-O 3.3Å; Y261-W274 WeakPolarHBondContact CB-O 3.46Å; Y261-W274 WeakPolarHBondContact CD1-O 3.25Å; L262-W274 HydrophobicContact CB-CB 4.48Å; L262-W274 PolarHBondContact N-O 2.77Å; L262-W274 PolarHBondContact O-N 2.78Å; T264-W274 VanDerWaalsContact CG2-NE1 3.33Å; T264-W274 PolarHBondContact OG1-NE1 2.95Å; R272-W274 HydrophobicContact CB-CZ2 3.76Å; R272-W274 HydrophobicContact CG-CZ2 4.3Å; R272-W274 PolarHBondContact O-NE1 3.21Å; W274-S276 PolarHBondContact O-N 3.2Å; W274-K280 CarbonylContact C-O 3.59Å; W274-K280 WeakPolarHBondContact CA-O 3.48Å; W274-N281 HydrophobicContact CE3-CB 3.72Å; W274-N281 HydrophobicContact CH2-CB 4.28Å; W274-N281 HydrophobicContact CZ3-CB 3.59Å
275	N	97.9	Very high	97.1	Very high	47 Å²	47	44.7 Å²	44.7	25%	0.251	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	121.1	164.2	-176.8	-65.3	0	0	0	108.9	A277 T278 G279 K280	N275-A277 VanDerWaalsContact C-N 3.28Å; N275-A277 PolarHBondContact O-N 2.88Å; N275-A277 WeakPolarHBondContact OD1-CB 3.29Å; N275-A277 PolarHBondContact OD1-N 2.86Å; N275-T278 PolarHBondContact OD1-N 3.17Å; N275-T278 PolarHBondContact OD1-OG1 3.27Å; N275-G279 VanDerWaalsContact O-CA 3.27Å; N275-G279 WeakPolarHBondContact O-CA 3.42Å; N275-G279 PolarHBondContact O-N 2.77Å; N275-K280 PolarHBondContact N-O 3.11Å
276	S	96.6	Very high	97	Very high	11 Å²	11	44.9 Å²	44.9	8%	0.077	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.9	-173.3	70.1	0	0	0	0	113.7	F225 G259 L260 W274	F225-S276 WeakPolarHBondContact CZ-O 3.18Å; G259-S276 WeakPolarHBondContact O-CB 3.23Å; G259-S276 PolarHBondContact O-OG 3.07Å; L260-S276 WeakPolarHBondContact CA-OG 3.46Å; L260-S276 WeakPolarHBondContact O-CB 3.46Å; L260-S276 PolarHBondContact O-N 2.79Å; L260-S276 PolarHBondContact O-OG 3.48Å; W274-S276 PolarHBondContact O-N 3.2Å
277	A	95.1	Very high	97	Very high	60 Å²	60	46.2 Å²	46.2	50%	0.496	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-40.6	-178.9	0	0	0	0	0	112	F225 N275	F225-A277 WeakPolarHBondContact CE1-O 3.36Å; N275-A277 VanDerWaalsContact C-N 3.28Å; N275-A277 PolarHBondContact O-N 2.88Å; N275-A277 WeakPolarHBondContact OD1-CB 3.29Å; N275-A277 PolarHBondContact OD1-N 2.86Å
278	T	94.9	Very high	96.9	Very high	81 Å²	81	50.1 Å²	50.1	50%	0.497	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-14.9	-175.2	74.5	0	0	0	0	113.9	N275 K280	N275-T278 PolarHBondContact OD1-N 3.17Å; N275-T278 PolarHBondContact OD1-OG1 3.27Å; T278-K280 PolarHBondContact O-N 3.15Å; T278-K280 WeakPolarHBondContact OG1-CB 3.33Å; T278-K280 WeakPolarHBondContact OG1-CG 3.25Å; T278-K280 PolarHBondContact OG1-N 3.47Å
279	G	95.1	Very high	97	Very high	8 Å²	8	48.8 Å²	48.8	8%	0.082	26%	0.26	C	S	.	.			trans	69.8	13.1	-174.2	0	0	0	0	0	114.9	L227 N275	L227-G279 VanDerWaalsContact CD2-CA 3.46Å; N275-G279 VanDerWaalsContact O-CA 3.27Å; N275-G279 WeakPolarHBondContact O-CA 3.42Å; N275-G279 PolarHBondContact O-N 2.77Å
280	K	96.3	Very high	96.8	Very high	136 Å²	136	49 Å²	49	59%	0.591	27%	0.265	S	S	*	.	B	Isolated β-bridge	trans	-77.6	131.3	-179.9	-74.7	-175.8	174.9	-175.6	0	110.3	N231 W274 N275 T278 T282	N231-K280 WeakPolarHBondContact OD1-CA 3.42Å; W274-K280 CarbonylContact C-O 3.59Å; W274-K280 WeakPolarHBondContact CA-O 3.48Å; N275-K280 PolarHBondContact N-O 3.11Å; T278-K280 PolarHBondContact O-N 3.15Å; T278-K280 WeakPolarHBondContact OG1-CB 3.33Å; T278-K280 WeakPolarHBondContact OG1-CG 3.25Å; T278-K280 PolarHBondContact OG1-N 3.47Å; K280-T282 PolarHBondContact O-N 3.37Å
281	N	97.3	Very high	96.7	Very high	13 Å²	13	44.4 Å²	44.4	7%	0.07	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-65.5	125	168.5	-170.2	-8.1	0	0	0	109.2	Q229 N231 L273 W274 L283	Q229-N281 PolarHBondContact O-ND2 2.94Å; N231-N281 PolarHBondContact ND2-O 2.93Å; N231-N281 WeakPolarHBondContact OD1-CB 3.12Å; N231-N281 PolarHBondContact OD1-N 3.05Å; L273-N281 PolarHBondContact O-OD1 2.81Å; W274-N281 HydrophobicContact CE3-CB 3.72Å; W274-N281 HydrophobicContact CH2-CB 4.28Å; W274-N281 HydrophobicContact CZ3-CB 3.59Å; N281-L283 HydrophobicContact CB-CD2 4.29Å; N281-L283 PolarHBondContact O-N 2.81Å; N281-L283 PolarHBondContact OD1-N 3.3Å
282	T	97.5	Very high	96.4	Very high	52 Å²	52	51.6 Å²	51.6	32%	0.319	28%	0.282	S	S	.	.			trans	-77.3	-12.1	178.3	61	0	0	0	0	112.9	Y261 L273 K280 V284	Y261-T282 HydrophobicContact CD1-CG2 3.95Å; Y261-T282 HydrophobicContact CE1-CG2 3.8Å; L273-T282 WeakPolarHBondContact CB-OG1 3.42Å; L273-T282 HydrophobicContact CD2-CG2 4.28Å; L273-T282 HydrophobicContact CG-CG2 4.24Å; L273-T282 WeakPolarHBondContact O-CB 3.39Å; L273-T282 WeakPolarHBondContact O-CG2 3.33Å; L273-T282 PolarHBondContact O-N 2.7Å; L273-T282 PolarHBondContact O-OG1 3.45Å; K280-T282 PolarHBondContact O-N 3.37Å; T282-V284 PolarHBondContact O-N 3.3Å; T282-V284 WeakPolarHBondContact OG1-CG2 3.48Å
283	L	96.6	Very high	96	Very high	122 Å²	122	51 Å²	51	64%	0.639	28%	0.282	S	S	*	.			trans	61.9	19.1	-179.9	-51.8	173.1	0	0	0	114.3	N281 N285	N281-L283 HydrophobicContact CB-CD2 4.29Å; N281-L283 PolarHBondContact O-N 2.81Å; N281-L283 PolarHBondContact OD1-N 3.3Å; L283-N285 PolarHBondContact O-N 3.09Å
284	V	97.9	Very high	95.6	Very high	29 Å²	29	60.7 Å²	60.7	18%	0.176	32%	0.318	C	S	.	.			trans	-58.9	129.4	169.8	178.5	0	0	0	0	109.3	L273 T282 Y286 H324	L273-V284 HydrophobicContact CD2-CG2 3.96Å; T282-V284 PolarHBondContact O-N 3.3Å; T282-V284 WeakPolarHBondContact OG1-CG2 3.48Å; V284-Y286 HydrophobicContact CB-CE2 3.97Å; V284-Y286 HydrophobicContact CG1-CD1 4.35Å; V284-Y286 HydrophobicContact CG1-CD2 4.38Å; V284-Y286 HydrophobicContact CG1-CE1 3.75Å; V284-Y286 HydrophobicContact CG1-CE2 3.8Å; V284-Y286 VanDerWaalsContact CG1-CZ 3.43Å; V284-H324 WeakPolarHBondContact CG2-O 3.22Å
285	N	97.1	Very high	95.3	Very high	111 Å²	111	63.4 Å²	63.4	59%	0.594	33%	0.33	S	S	*	.			trans	-97.7	106.4	-176.7	-178.8	21.8	0	0	0	110.8	L283 G287	L283-N285 PolarHBondContact O-N 3.09Å; N285-G287 VanDerWaalsContact C-N 3.31Å; N285-G287 WeakPolarHBondContact OD1-CA 3.5Å; N285-G287 PolarHBondContact OD1-N 3.43Å
286	Y	97.3	Very high	95.1	Very high	6 Å²	6	62.1 Å²	62.1	2%	0.024	32%	0.322	C	S	.	.			trans	-90.7	9	173.3	-55.3	-78.3	0	0	0	113.2	L263 M271 L273 V284 Y321 L323 G326	L263-Y286 HydrophobicContact CD2-CE2 4.35Å; M271-Y286 HydrophobicContact CB-CD2 3.98Å; M271-Y286 HydrophobicContact CB-CG 4.32Å; M271-Y286 HydrophobicContact CE-CD1 3.34Å; M271-Y286 HydrophobicContact CE-CD2 3.8Å; M271-Y286 HydrophobicContact CE-CE1 3.7Å; M271-Y286 HydrophobicContact CE-CE2 4.1Å; M271-Y286 HydrophobicContact CE-CG 3.4Å; M271-Y286 HydrophobicContact CG-CD2 4.07Å; M271-Y286 HydrophobicContact CG-CE2 4.26Å; M271-Y286 WeakPolarHBondContact O-CD2 3.45Å; L273-Y286 HydrophobicContact CB-CE2 4.1Å; L273-Y286 VanDerWaalsContact CB-OH 3.29Å; L273-Y286 WeakPolarHBondContact CB-OH 3.41Å; V284-Y286 HydrophobicContact CB-CE2 3.97Å; V284-Y286 HydrophobicContact CG1-CD1 4.35Å; V284-Y286 HydrophobicContact CG1-CD2 4.38Å; V284-Y286 HydrophobicContact CG1-CE1 3.75Å; V284-Y286 HydrophobicContact CG1-CE2 3.8Å; V284-Y286 VanDerWaalsContact CG1-CZ 3.43Å; Y286-Y321 HydrophobicContact CD1-CD1 4.03Å; Y286-Y321 HydrophobicContact CD1-CG 4.04Å; Y286-Y321 WeakPolarHBondContact O-CE1 3.22Å; Y286-Y321 PolarHBondContact O-OH 2.87Å; Y286-L323 PolarHBondContact OH-O 3.43Å; Y286-G326 VanDerWaalsContact CD1-CA 3.49Å
287	G	95.7	Very high	95.1	Very high	28 Å²	28	62 Å²	62	29%	0.289	32%	0.32	S	S	.	.			trans	68	-147.3	-173.4	0	0	0	0	0	112.6	R270 N285	R270-G287 PolarHBondContact NH1-O 3.08Å; N285-G287 VanDerWaalsContact C-N 3.31Å; N285-G287 WeakPolarHBondContact OD1-CA 3.5Å; N285-G287 PolarHBondContact OD1-N 3.43Å
288	K	96.4	Very high	95.3	Very high	134 Å²	134	59.5 Å²	59.5	58%	0.583	30%	0.298	S	S	*	.			trans	-90.7	116.1	175	-175.1	-176.3	179.6	-178.5	0	108.8	D269	D269-K288 HydrophobicContact CB-CD 4.45Å; D269-K288 HydrophobicContact CB-CG 3.81Å; D269-K288 WeakPolarHBondContact OD2-CE 3.43Å; D269-K288 IonicContact OD2-NZ 2.95Å; D269-K288 PolarHBondContact OD2-NZ 2.9Å
289	V	96.5	Very high	95.4	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	28%	0.275	C	S	.	.			trans	-109.4	93.2	177.4	-175.7	0	0	0	0	107.6	D269 M271 N291 V312 Y321	D269-V289 CarbonylContact C-O 3.47Å; D269-V289 WeakPolarHBondContact CA-O 3.35Å; D269-V289 PolarHBondContact O-N 3.17Å; M271-V289 HydrophobicContact CB-CB 4.41Å; M271-V289 HydrophobicContact CB-CG2 3.99Å; V289-N291 PolarHBondContact O-N 2.59Å; V289-V312 HydrophobicContact CG1-CG1 3.94Å; V289-Y321 HydrophobicContact CG2-CE2 4.19Å
290	C	94.7	Very high	95.5	Very high	45 Å²	45	55.6 Å²	55.6	30%	0.304	27%	0.273	S	S	.	.			trans	-59.8	126.4	-172.5	-60.5	0	0	0	0	111.8	D269	D269-C290 WeakPolarHBondContact OD1-CA 3.26Å
291	N	95.1	Very high	95.6	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.048	24%	0.244	C	C	.	.			trans	-142	91.6	-178.4	-178.9	5.1	0	0	0	111.2	N251 G266 D269 V289 S293	N251-N291 PolarHBondContact ND2-OD1 3.16Å; N251-N291 VanDerWaalsContact ND2-OD1 3.15Å; N251-N291 PolarHBondContact OD1-ND2 2.96Å; G266-N291 VanDerWaalsContact C-ND2 3.28Å; G266-N291 WeakPolarHBondContact O-CB 3.33Å; G266-N291 PolarHBondContact O-ND2 2.94Å; G266-N291 VanDerWaalsContact O-ND2 3.07Å; D269-N291 PolarHBondContact OD1-N 2.76Å; V289-N291 PolarHBondContact O-N 2.59Å; N291-S293 PolarHBondContact OD1-N 2.96Å
292	E	90.1	Very high	95.6	Very high	158 Å²	158	48.5 Å²	48.5	74%	0.738	24%	0.241	S	C	*	.			trans	-93.5	2	-179.9	-59.8	176.8	177.7	0	0	112.6	R294	E292-R294 PolarHBondContact O-N 3.17Å
293	S	91.2	Very high	95.2	Very high	17 Å²	17	49.5 Å²	49.5	12%	0.119	24%	0.242	C	C	.	.			trans	-70.2	131.9	-174.2	-175	0	0	0	0	111.3	N251 N291 K295	N251-S293 PolarHBondContact ND2-O 2.83Å; N291-S293 PolarHBondContact OD1-N 2.96Å; S293-K295 VanDerWaalsContact C-N 3.32Å; S293-K295 PolarHBondContact OG-N 3.33Å; S293-K295 VanDerWaalsContact OG-N 3.16Å; S293-K295 PolarHBondContact OG-O 3.17Å
294	R	90.8	Very high	94.7	Very high	205 Å²	205	45.9 Å²	45.9	77%	0.774	23%	0.234	S	C	*	.	S	Bend	trans	-87.6	-7.2	171.1	-62.2	-174.8	179.5	-172	0.3	112.8	E292	E292-R294 PolarHBondContact O-N 3.17Å
295	K	91.4	Very high	94.3	Very high	56 Å²	56	44.9 Å²	44.9	24%	0.243	23%	0.229	C	C	.	.	S	Bend	trans	-111.7	-177.3	-179.1	-59.9	176.9	166.2	-155.7	0	109.4	S101 E103 F120 N251 S293	S101-K295 PolarHBondContact OG-NZ 3.16Å; S101-K295 VanDerWaalsContact OG-NZ 3.08Å; E103-K295 IonicContact OE1-NZ 2.81Å; E103-K295 PolarHBondContact OE1-NZ 2.78Å; E103-K295 WeakPolarHBondContact OE2-CD 3.28Å; E103-K295 IonicContact OE2-NZ 3.36Å; F120-K295 HydrophobicContact CE2-CD 4.48Å; F120-K295 HydrophobicContact CZ-CD 4.35Å; F120-K295 HydrophobicContact CZ-CG 4.2Å; N251-K295 WeakPolarHBondContact CB-O 3.25Å; N251-K295 PolarHBondContact ND2-O 2.88Å; S293-K295 VanDerWaalsContact C-N 3.32Å; S293-K295 PolarHBondContact OG-N 3.33Å; S293-K295 VanDerWaalsContact OG-N 3.16Å; S293-K295 PolarHBondContact OG-O 3.17Å
296	R	94.1	Very high	93.9	Very high	21 Å²	21	43.5 Å²	43.5	8%	0.079	23%	0.227	C	C	.	.			trans	-56.4	141.2	169.6	-179.1	177.5	161.5	173.3	-13.4	110.1	S147 L191 A192 R194 N251	S147-R296 PolarHBondContact OG-NH1 3.49Å; L191-R296 WeakPolarHBondContact O-CB 3.3Å; A192-R296 HydrophobicContact CB-CG 4.38Å; R194-R296 VanDerWaalsContact CZ-NH2 3.28Å; N251-R296 WeakPolarHBondContact O-CA 3.5Å
297	L	96.8	Very high	93.6	Very high	9 Å²	9	46.7 Å²	46.7	5%	0.047	25%	0.249	C	C	.	.			trans	-107.8	117	168.3	-169.5	69.4	0	0	0	108.3	N251 V312 P313	N251-L297 PolarHBondContact O-N 2.91Å; L297-V312 HydrophobicContact CD2-CG1 4.31Å; L297-P313 HydrophobicContact CD1-CB 4.04Å; L297-P313 HydrophobicContact CD1-CG 4.24Å
298	Q	97.8	Very high	93.5	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.028	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-90.7	125.1	173.9	174.9	173	8.3	0	0	109.7	T48 I49 P313 D340 C341 C342 E343	T48-Q298 VanDerWaalsContact CA-OE1 3.23Å; T48-Q298 PolarHBondContact OG1-OE1 3Å; I49-Q298 PolarHBondContact O-NE2 3.11Å; I49-Q298 PolarHBondContact O-OE1 2.84Å; Q298-P313 WeakPolarHBondContact O-CG 3.49Å; Q298-D340 PolarHBondContact N-O 2.85Å; Q298-C341 HydrophobicContact CB-CB 3.7Å; Q298-C341 HydrophobicContact CG-CB 4.11Å; Q298-C341 WeakPolarHBondContact O-CA 3.34Å; Q298-C342 PolarHBondContact O-N 2.91Å; Q298-E343 PolarHBondContact NE2-OE2 3.22Å
299	F	98.2	Very high	93.6	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.013	21%	0.213	C	C	.	.			trans	-142	156.8	177.4	72.5	-92.3	0	0	0	108.6	C254 L263 T265 V310 F311 V312	C254-F299 HydrophobicContact CB-CD2 3.78Å; C254-F299 HydrophobicContact CB-CE1 4.19Å; C254-F299 HydrophobicContact CB-CE2 3.23Å; C254-F299 HydrophobicContact CB-CG 4.45Å; C254-F299 HydrophobicContact CB-CZ 3.47Å; C254-F299 VanDerWaalsContact CB-CZ 3.47Å; C254-F299 PolarHBondContact SG-O 2.92Å; L263-F299 HydrophobicContact CB-CE2 3.72Å; L263-F299 HydrophobicContact CB-CZ 3.77Å; L263-F299 HydrophobicContact CD1-CE2 4.01Å; T265-F299 HydrophobicContact CG2-CD1 4.2Å; T265-F299 HydrophobicContact CG2-CE1 3.74Å; T265-F299 HydrophobicContact CG2-CZ 4.02Å; F299-V310 HydrophobicContact CD2-CG2 3.78Å; F299-V310 HydrophobicContact CE2-CG2 3.99Å; F299-F311 VanDerWaalsContact CB-O 3.27Å; F299-F311 WeakPolarHBondContact CB-O 3.16Å; F299-V312 HydrophobicContact CB-CG1 4.44Å; F299-V312 HydrophobicContact CB-CG2 4.41Å; F299-V312 HydrophobicContact CD2-CG2 4.08Å; F299-V312 HydrophobicContact CG-CG2 4.4Å
300	S	97.8	Very high	93.7	Very high	4 Å²	4	40 Å²	40	3%	0.028	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	160.7	-169.5	-165.8	0	0	0	0	111.5	F311 E343 F344	S300-F311 PolarHBondContact N-O 2.85Å; S300-F311 PolarHBondContact O-N 3.43Å; S300-E343 PolarHBondContact OG-OE1 3.08Å; S300-F344 PolarHBondContact OG-N 3.28Å
301	V	97.6	Very high	93.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.8	179.6	174.6	0	0	0	0	107.5	L263 H303 F309 V310	L263-V301 HydrophobicContact CD1-CG2 3.74Å; V301-H303 PolarHBondContact O-CD2 3.34Å; V301-H303 PolarHBondContact O-NE2 2.91Å; V301-F309 CarbonylContact C-O 3.58Å; V301-F309 WeakPolarHBondContact CA-O 3.33Å; V301-F309 WeakPolarHBondContact CG1-O 3.41Å; V301-V310 HydrophobicContact CG2-CB 4.4Å; V301-V310 HydrophobicContact CG2-CG2 4.22Å
302	S	96.6	Very high	94	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.			trans	-70.4	142.8	176.1	63.8	0	0	0	0	111.3	C305 F309	S302-C305 WeakPolarHBondContact CB-SG 3.48Å; S302-C305 PolarHBondContact OG-SG 3.07Å; S302-F309 PolarHBondContact N-O 2.91Å; S302-F309 PolarHBondContact OG-N 2.73Å; S302-F309 PolarHBondContact OG-O 2.71Å
303	H	89.8	Confident	94.3	Very high	73 Å²	73	30.1 Å²	30.1	34%	0.338	16%	0.161	S	C	.	.			trans	-114.8	146.7	176.5	-61.2	-97.9	0	0	0	111.1	S257 V301 C305 P346	S257-H303 WeakPolarHBondContact CB-ND1 3.45Å; V301-H303 PolarHBondContact O-CD2 3.34Å; V301-H303 PolarHBondContact O-NE2 2.91Å; H303-C305 VanDerWaalsContact C-N 3.28Å; H303-C305 PolarHBondContact O-N 3.26Å; H303-P346 HydrophobicContact CB-CB 4.13Å
304	G	86.7	Confident	94.5	Very high	46 Å²	46	30.3 Å²	30.3	47%	0.474	16%	0.162	S	C	.	.	S	Bend	trans	74.3	13.2	171.3	0	0	0	0	0	115.5	R20	R20-G304 WeakPolarHBondContact CG-O 3.36Å
305	C	88.9	Confident	94.7	Very high	9 Å²	9	22.1 Å²	22.1	6%	0.061	14%	0.142	C	C	.	.			trans	-118.6	159	176	57.8	0	0	0	0	110.9	T24 S302 H303 P307	T24-C305 WeakPolarHBondContact OG1-CB 3.4Å; S302-C305 WeakPolarHBondContact CB-SG 3.48Å; S302-C305 PolarHBondContact OG-SG 3.07Å; H303-C305 VanDerWaalsContact C-N 3.28Å; H303-C305 PolarHBondContact O-N 3.26Å; C305-P307 CarbonylContact C-O 3.55Å
306	S	87.6	Confident	95	Very high	81 Å²	81	21.8 Å²	21.8	57%	0.566	15%	0.146	S	C	*	.	S	Bend	trans	-145.1	112.9	175.6	-172.5	0	0	0	0	109.9	T24	T24-S306 PolarHBondContact OG1-N 3.1Å; T24-S306 PolarHBondContact OG1-O 3.49Å
307	P	90.9	Very high	95.1	Very high	73 Å²	73	21.3 Å²	21.3	47%	0.474	15%	0.147	S	C	.	.	S	Bend	cis	-64.5	160.2	1.5	26.2	-38.2	0	0	0	115.2	T24 C305 F309	T24-P307 HydrophobicContact CG2-CG 4.29Å; T24-P307 PolarHBondContact OG1-O 3.01Å; C305-P307 CarbonylContact C-O 3.55Å; P307-F309 HydrophobicContact CG-CZ 4.1Å; P307-F309 VanDerWaalsContact O-CE2 3.24Å; P307-F309 WeakPolarHBondContact O-CE2 3.28Å
308	E	94.8	Very high	95.2	Very high	23 Å²	23	20.9 Å²	20.9	11%	0.107	14%	0.144	C	C	.	.			trans	-83.3	152.3	168	-67.9	-178.2	117.9	0	0	111.2	S257 L323	S257-E308 WeakPolarHBondContact CB-OE1 3.41Å; S257-E308 PolarHBondContact OG-OE1 2.82Å; E308-L323 HydrophobicContact CB-CB 4.05Å; E308-L323 HydrophobicContact CB-CD2 3.8Å; E308-L323 VanDerWaalsContact O-CB 3.29Å; E308-L323 WeakPolarHBondContact O-CB 3.44Å; E308-L323 PolarHBondContact O-N 3.22Å; E308-L323 VanDerWaalsContact OE2-CD2 3.31Å; E308-L323 WeakPolarHBondContact OE2-CD2 3.25Å
309	F	97.7	Very high	95.2	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153.6	-178.7	-55.9	-84.7	0	0	0	110.7	T24 V27 L28 V301 S302 P307 F311 V320 Y321 I329	T24-F309 HydrophobicContact CG2-CE2 4.01Å; T24-F309 HydrophobicContact CG2-CZ 3.99Å; V27-F309 HydrophobicContact CB-CD2 4.04Å; V27-F309 HydrophobicContact CB-CE2 3.99Å; V27-F309 HydrophobicContact CG1-CB 4.35Å; V27-F309 HydrophobicContact CG1-CD2 3.4Å; V27-F309 VanDerWaalsContact CG1-CD2 3.4Å; V27-F309 HydrophobicContact CG1-CE2 3.76Å; V27-F309 HydrophobicContact CG1-CG 3.88Å; L28-F309 HydrophobicContact CD2-CE1 3.7Å; L28-F309 HydrophobicContact CD2-CZ 3.61Å; L28-F309 HydrophobicContact CG-CE1 4.5Å; L28-F309 HydrophobicContact CG-CZ 3.93Å; V301-F309 CarbonylContact C-O 3.58Å; V301-F309 WeakPolarHBondContact CA-O 3.33Å; V301-F309 WeakPolarHBondContact CG1-O 3.41Å; S302-F309 PolarHBondContact N-O 2.91Å; S302-F309 PolarHBondContact OG-N 2.73Å; S302-F309 PolarHBondContact OG-O 2.71Å; P307-F309 HydrophobicContact CG-CZ 4.1Å; P307-F309 VanDerWaalsContact O-CE2 3.24Å; P307-F309 WeakPolarHBondContact O-CE2 3.28Å; F309-F311 HydrophobicContact CB-CZ 4.36Å; F309-V320 HydrophobicContact CB-CG1 4.24Å; F309-V320 HydrophobicContact CD1-CG1 4.31Å; F309-Y321 CarbonylContact C-O 3.53Å; F309-Y321 WeakPolarHBondContact CA-O 3.21Å; F309-I329 HydrophobicContact CD1-CG1 4.14Å; F309-I329 HydrophobicContact CE1-CD1 4.44Å; F309-I329 HydrophobicContact CE1-CG1 4.01Å
310	V	98.2	Very high	95.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.9	169.4	59.4	0	0	0	0	109.5	L263 M271 F299 V301 V312 V320 Y321	L263-V310 HydrophobicContact CD1-CB 3.91Å; L263-V310 HydrophobicContact CD1-CG1 4.49Å; L263-V310 HydrophobicContact CD1-CG2 3.56Å; M271-V310 HydrophobicContact CE-CG1 3.6Å; M271-V310 HydrophobicContact SD-CG1 4.26Å; M271-V310 HydrophobicContact SD-CG2 4.19Å; F299-V310 HydrophobicContact CD2-CG2 3.78Å; F299-V310 HydrophobicContact CE2-CG2 3.99Å; V301-V310 HydrophobicContact CG2-CB 4.4Å; V301-V310 HydrophobicContact CG2-CG2 4.22Å; V310-V312 HydrophobicContact CG1-CG2 4.44Å; V310-V312 HydrophobicContact CG2-CG2 3.56Å; V310-V320 WeakPolarHBondContact O-CA 3.36Å; V310-Y321 HydrophobicContact CG1-CD2 4.45Å; V310-Y321 PolarHBondContact N-O 2.76Å; V310-Y321 PolarHBondContact O-N 3.3Å
311	F	98.4	Very high	95.2	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.4	176.9	-52.9	-83.2	0	0	0	108.3	V27 L30 F299 S300 F309 V318 A319 V320 C342 F344 L351	V27-F311 HydrophobicContact CG1-CE1 4.21Å; V27-F311 HydrophobicContact CG1-CZ 3.75Å; L30-F311 HydrophobicContact CD1-CE1 4.41Å; F299-F311 VanDerWaalsContact CB-O 3.27Å; F299-F311 WeakPolarHBondContact CB-O 3.16Å; S300-F311 PolarHBondContact N-O 2.85Å; S300-F311 PolarHBondContact O-N 3.43Å; F309-F311 HydrophobicContact CB-CZ 4.36Å; F311-V318 HydrophobicContact CB-CG1 3.86Å; F311-A319 CarbonylContact C-O 3.5Å; F311-A319 WeakPolarHBondContact CA-O 3.42Å; F311-V320 HydrophobicContact CD1-CB 4.44Å; F311-V320 HydrophobicContact CD1-CG1 4.05Å; F311-V320 HydrophobicContact CD1-CG2 3.81Å; F311-V320 HydrophobicContact CE1-CG1 3.84Å; F311-V320 HydrophobicContact CE1-CG2 4.11Å; F311-C342 PolarHBondContact O-SG 2.67Å; F311-F344 HydrophobicContact CD2-CB 4.3Å; F311-F344 HydrophobicContact CD2-CD2 4.26Å; F311-F344 HydrophobicContact CE2-CB 4.16Å; F311-F344 AromaticContact CE2-CD2 3.4Å; F311-F344 HydrophobicContact CE2-CD2 3.4Å; F311-F344 VanDerWaalsContact CE2-CD2 3.4Å; F311-F344 AromaticContact CE2-CE2 3.94Å; F311-F344 HydrophobicContact CE2-CE2 3.94Å; F311-F344 AromaticContact CE2-CG 3.9Å; F311-F344 HydrophobicContact CE2-CG 3.9Å; F311-F344 AromaticContact CZ-CD2 3.73Å; F311-F344 HydrophobicContact CZ-CD2 3.73Å; F311-F344 AromaticContact CZ-CE2 3.91Å; F311-F344 HydrophobicContact CZ-CE2 3.91Å; F311-L351 HydrophobicContact CB-CD1 3.99Å; F311-L351 HydrophobicContact CB-CD2 4.3Å; F311-L351 HydrophobicContact CD1-CD1 4.16Å; F311-L351 HydrophobicContact CD1-CD2 3.91Å; F311-L351 HydrophobicContact CD2-CD1 3.98Å; F311-L351 HydrophobicContact CG-CD1 3.78Å; F311-L351 HydrophobicContact CG-CD2 4.22Å
312	V	98.2	Very high	95.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.2	-175.8	-172.5	0	0	0	0	110.5	T265 M271 V289 L297 F299 V310 C314 A319	T265-V312 HydrophobicContact CG2-CG1 4.24Å; M271-V312 HydrophobicContact CE-CG2 4.11Å; M271-V312 HydrophobicContact SD-CG2 3.58Å; M271-V312 VanDerWaalsContact SD-CG2 3.58Å; V289-V312 HydrophobicContact CG1-CG1 3.94Å; L297-V312 HydrophobicContact CD2-CG1 4.31Å; F299-V312 HydrophobicContact CB-CG1 4.44Å; F299-V312 HydrophobicContact CB-CG2 4.41Å; F299-V312 HydrophobicContact CD2-CG2 4.08Å; F299-V312 HydrophobicContact CG-CG2 4.4Å; V310-V312 HydrophobicContact CG1-CG2 4.44Å; V310-V312 HydrophobicContact CG2-CG2 3.56Å; V312-C314 PolarHBondContact O-N 3.16Å; V312-A319 PolarHBondContact N-O 2.99Å; V312-A319 PolarHBondContact O-N 2.82Å
313	P	97.8	Very high	95.2	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.019	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	128.9	171.4	-21.8	33.2	0	0	0	111.3	L297 Q298 V339	L297-P313 HydrophobicContact CD1-CB 4.04Å; L297-P313 HydrophobicContact CD1-CG 4.24Å; Q298-P313 WeakPolarHBondContact O-CG 3.49Å; P313-V339 HydrophobicContact CB-CB 3.9Å; P313-V339 HydrophobicContact CB-CG1 3.85Å; P313-V339 VanDerWaalsContact CB-O 3.27Å; P313-V339 WeakPolarHBondContact CB-O 3.33Å; P313-V339 HydrophobicContact CG-CG1 4.13Å
314	C	95.4	Very high	95.5	Very high	21 Å²	21	22.4 Å²	22.4	14%	0.142	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	101.1	-178.1	178.5	0	0	0	0	109.4	V312 S316 S317 A319 M331	V312-C314 PolarHBondContact O-N 3.16Å; C314-S316 PolarHBondContact O-N 3.37Å; C314-S317 CarbonylContact C-O 3.54Å; C314-S317 PolarHBondContact N-O 3.43Å; C314-S317 PolarHBondContact O-N 3.39Å; C314-A319 HydrophobicContact CB-CB 4.2Å; C314-M331 HydrophobicContact CB-CE 4.07Å
315	G	94.9	Very high	96	Very high	33 Å²	33	24.2 Å²	24.2	34%	0.34	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-133.5	-171.3	0	0	0	0	0	110.8	S317 N338 V339	G315-S317 PolarHBondContact O-N 2.78Å; G315-N338 CarbonylContact O-C 3.53Å; G315-N338 VanDerWaalsContact O-CA 3.23Å; G315-N338 WeakPolarHBondContact O-CA 3.44Å; G315-V339 PolarHBondContact O-N 3.41Å
316	S	96.2	Very high	96.4	Very high	49 Å²	49	24 Å²	24	34%	0.343	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	17.6	177.9	63.7	0	0	0	0	114.5	C314 N337	C314-S316 PolarHBondContact O-N 3.37Å; S316-N337 VanDerWaalsContact CA-O 3.28Å; S316-N337 WeakPolarHBondContact CA-O 3.36Å; S316-N337 WeakPolarHBondContact CB-O 3.48Å
317	S	97.4	Very high	96.8	Very high	12 Å²	12	26.1 Å²	26.1	8%	0.084	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	164.8	-175.3	-57.4	0	0	0	0	111	C314 G315 L332 R333	C314-S317 CarbonylContact C-O 3.54Å; C314-S317 PolarHBondContact N-O 3.43Å; C314-S317 PolarHBondContact O-N 3.39Å; G315-S317 PolarHBondContact O-N 2.78Å; S317-L332 VanDerWaalsContact CA-O 3.24Å; S317-L332 WeakPolarHBondContact CA-O 3.37Å; S317-L332 VanDerWaalsContact CB-O 3.28Å; S317-L332 WeakPolarHBondContact CB-O 3.4Å; S317-R333 WeakPolarHBondContact OG-CG 3.16Å
318	V	98.3	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.7	168.6	-174.9	0	0	0	0	109	F311 L332 V339 C342 L351	F311-V318 HydrophobicContact CB-CG1 3.86Å; V318-L332 HydrophobicContact CB-CB 4.16Å; V318-L332 HydrophobicContact CB-CD1 4.28Å; V318-L332 PolarHBondContact N-O 2.75Å; V318-L332 PolarHBondContact O-N 2.81Å; V318-V339 HydrophobicContact CG2-CG1 3.95Å; V318-C342 HydrophobicContact CG1-CB 4.45Å; V318-C342 HydrophobicContact CG2-CB 4.3Å; V318-L351 HydrophobicContact CG1-CD2 4.11Å
319	A	98.2	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.4	175.8	0	0	0	0	0	110.6	F311 V312 C314 Y321 L328 M331	F311-A319 CarbonylContact C-O 3.5Å; F311-A319 WeakPolarHBondContact CA-O 3.42Å; V312-A319 PolarHBondContact N-O 2.99Å; V312-A319 PolarHBondContact O-N 2.82Å; C314-A319 HydrophobicContact CB-CB 4.2Å; A319-Y321 HydrophobicContact CB-CD2 4.14Å; A319-Y321 HydrophobicContact CB-CE2 3.48Å; A319-Y321 VanDerWaalsContact CB-CE2 3.48Å; A319-L328 HydrophobicContact CB-CD1 4.19Å; A319-M331 WeakPolarHBondContact CA-SD 3.25Å; A319-M331 HydrophobicContact CB-CE 3.87Å; A319-M331 HydrophobicContact CB-SD 3.33Å; A319-M331 WeakPolarHBondContact CB-SD 3.47Å
320	V	98.3	Very high	97.2	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.2	178.3	-170.5	0	0	0	0	108.8	F309 V310 F311 I329 T330 L332	F309-V320 HydrophobicContact CB-CG1 4.24Å; F309-V320 HydrophobicContact CD1-CG1 4.31Å; V310-V320 WeakPolarHBondContact O-CA 3.36Å; F311-V320 HydrophobicContact CD1-CB 4.44Å; F311-V320 HydrophobicContact CD1-CG1 4.05Å; F311-V320 HydrophobicContact CD1-CG2 3.81Å; F311-V320 HydrophobicContact CE1-CG1 3.84Å; F311-V320 HydrophobicContact CE1-CG2 4.11Å; V320-I329 HydrophobicContact CB-CB 4.5Å; V320-I329 HydrophobicContact CG1-CB 4.43Å; V320-I329 WeakPolarHBondContact O-CB 3.29Å; V320-I329 PolarHBondContact O-N 2.87Å; V320-T330 HydrophobicContact CB-CG2 4.01Å; V320-T330 HydrophobicContact CG2-CG2 3.81Å; V320-T330 PolarHBondContact N-O 3.29Å; V320-L332 HydrophobicContact CG2-CD1 3.89Å; V320-L332 HydrophobicContact CG2-CD2 4.46Å; V320-L332 HydrophobicContact CG2-CG 3.83Å
321	Y	98.3	Very high	97.1	Very high	12 Å²	12	34.1 Å²	34.1	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.8	176.3	-64	-93.5	0	0	0	111	M271 Y286 V289 F309 V310 A319 L323 G326 E327 L328	M271-Y321 HydrophobicContact CE-CD2 4.05Å; M271-Y321 HydrophobicContact CE-CG 4.36Å; Y286-Y321 HydrophobicContact CD1-CD1 4.03Å; Y286-Y321 HydrophobicContact CD1-CG 4.04Å; Y286-Y321 WeakPolarHBondContact O-CE1 3.22Å; Y286-Y321 PolarHBondContact O-OH 2.87Å; V289-Y321 HydrophobicContact CG2-CE2 4.19Å; F309-Y321 CarbonylContact C-O 3.53Å; F309-Y321 WeakPolarHBondContact CA-O 3.21Å; V310-Y321 HydrophobicContact CG1-CD2 4.45Å; V310-Y321 PolarHBondContact N-O 2.76Å; V310-Y321 PolarHBondContact O-N 3.3Å; A319-Y321 HydrophobicContact CB-CD2 4.14Å; A319-Y321 HydrophobicContact CB-CE2 3.48Å; A319-Y321 VanDerWaalsContact CB-CE2 3.48Å; Y321-L323 PolarHBondContact O-N 3.01Å; Y321-G326 WeakPolarHBondContact CD1-O 3.25Å; Y321-E327 CarbonylContact C-O 3.44Å; Y321-E327 VanDerWaalsContact CA-O 3.24Å; Y321-E327 WeakPolarHBondContact CA-O 3.31Å; Y321-L328 HydrophobicContact CD1-CB 3.95Å; Y321-L328 HydrophobicContact CD1-CD1 4.18Å; Y321-L328 HydrophobicContact CD2-CD1 4.42Å; Y321-L328 HydrophobicContact CE1-CB 3.66Å; Y321-L328 HydrophobicContact CE1-CD1 3.79Å; Y321-L328 HydrophobicContact CE1-CG 4.27Å; Y321-L328 HydrophobicContact CE2-CD1 4.06Å; Y321-L328 HydrophobicContact CG-CD1 4.47Å
322	A	97.4	Very high	97.1	Very high	7 Å²	7	34.4 Å²	34.4	6%	0.058	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	125.3	162.6	0	0	0	0	0	109.3	H324 T325 G326 E327 I329	A322-H324 PolarHBondContact O-N 2.89Å; A322-T325 WeakPolarHBondContact CB-OG1 3.26Å; A322-G326 WeakPolarHBondContact O-CA 3.49Å; A322-G326 PolarHBondContact O-N 2.77Å; A322-E327 PolarHBondContact N-O 3.1Å; A322-I329 HydrophobicContact CB-CD1 4.2Å; A322-I329 HydrophobicContact CB-CG1 4.4Å
323	L	96.7	Very high	97	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-49.7	-165.9	178.2	73	0	0	0	112.7	T256 L263 L273 Y286 E308 Y321	T256-L323 HydrophobicContact CG2-CD1 4.06Å; T256-L323 HydrophobicContact CG2-CD2 3.54Å; T256-L323 HydrophobicContact CG2-CG 4.37Å; L263-L323 HydrophobicContact CD1-CD1 3.65Å; L263-L323 HydrophobicContact CD2-CD1 4.3Å; L263-L323 HydrophobicContact CG-CD1 4.2Å; L273-L323 HydrophobicContact CD1-CD1 4.08Å; Y286-L323 PolarHBondContact OH-O 3.43Å; E308-L323 HydrophobicContact CB-CB 4.05Å; E308-L323 HydrophobicContact CB-CD2 3.8Å; E308-L323 VanDerWaalsContact O-CB 3.29Å; E308-L323 WeakPolarHBondContact O-CB 3.44Å; E308-L323 PolarHBondContact O-N 3.22Å; E308-L323 VanDerWaalsContact OE2-CD2 3.31Å; E308-L323 WeakPolarHBondContact OE2-CD2 3.25Å; Y321-L323 PolarHBondContact O-N 3.01Å
324	H	96.1	Very high	96.9	Very high	92 Å²	92	44.5 Å²	44.5	43%	0.426	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-25.9	-172.4	-65.2	-56	0	0	0	114.3	Y261 V284 A322	Y261-H324 AromaticContact CD2-CE1 3.97Å; Y261-H324 AromaticContact CE2-CE1 3.74Å; V284-H324 WeakPolarHBondContact CG2-O 3.22Å; A322-H324 PolarHBondContact O-N 2.89Å
325	T	96.4	Very high	97	Very high	84 Å²	84	43.9 Å²	43.9	52%	0.515	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-27.8	178.7	62.9	0	0	0	0	111.8	A322 E327	A322-T325 WeakPolarHBondContact CB-OG1 3.26Å; T325-E327 PolarHBondContact O-N 3.26Å; T325-E327 PolarHBondContact OG1-N 2.95Å
326	G	96.3	Very high	97	Very high	6 Å²	6	52.4 Å²	52.4	6%	0.062	26%	0.259	C	S	.	.			trans	78.5	5.6	-175.6	0	0	0	0	0	114.1	Y286 Y321 A322	Y286-G326 VanDerWaalsContact CD1-CA 3.49Å; Y321-G326 WeakPolarHBondContact CD1-O 3.25Å; A322-G326 WeakPolarHBondContact O-CA 3.49Å; A322-G326 PolarHBondContact O-N 2.77Å
327	E	97.1	Very high	97	Very high	125 Å²	125	53.5 Å²	53.5	58%	0.584	26%	0.261	S	S	*	.			trans	-70.2	131.4	179.5	-67.8	179.6	167.5	0	0	111.2	Y321 A322 T325 I329	Y321-E327 CarbonylContact C-O 3.44Å; Y321-E327 VanDerWaalsContact CA-O 3.24Å; Y321-E327 WeakPolarHBondContact CA-O 3.31Å; A322-E327 PolarHBondContact N-O 3.1Å; T325-E327 PolarHBondContact O-N 3.26Å; T325-E327 PolarHBondContact OG1-N 2.95Å; E327-I329 PolarHBondContact O-N 3.26Å
328	L	97.6	Very high	96.9	Very high	88 Å²	88	55.4 Å²	55.4	46%	0.461	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	113.3	170.7	178.6	65.7	0	0	0	108.8	A319 Y321 M331	A319-L328 HydrophobicContact CB-CD1 4.19Å; Y321-L328 HydrophobicContact CD1-CB 3.95Å; Y321-L328 HydrophobicContact CD1-CD1 4.18Å; Y321-L328 HydrophobicContact CD2-CD1 4.42Å; Y321-L328 HydrophobicContact CE1-CB 3.66Å; Y321-L328 HydrophobicContact CE1-CD1 3.79Å; Y321-L328 HydrophobicContact CE1-CG 4.27Å; Y321-L328 HydrophobicContact CE2-CD1 4.06Å; Y321-L328 HydrophobicContact CG-CD1 4.47Å; L328-M331 HydrophobicContact CD1-CG 4.49Å; L328-M331 HydrophobicContact CD1-SD 3.87Å; L328-M331 HydrophobicContact CD2-CG 4.44Å; L328-M331 HydrophobicContact CD2-SD 4.41Å
329	I	96.3	Very high	96.9	Very high	67 Å²	67	55.7 Å²	55.7	34%	0.344	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-52.7	179.8	-57.4	-59.5	0	0	0	110.4	L28 F309 V320 A322 E327	L28-I329 HydrophobicContact CD2-CG2 3.75Å; F309-I329 HydrophobicContact CD1-CG1 4.14Å; F309-I329 HydrophobicContact CE1-CD1 4.44Å; F309-I329 HydrophobicContact CE1-CG1 4.01Å; V320-I329 HydrophobicContact CB-CB 4.5Å; V320-I329 HydrophobicContact CG1-CB 4.43Å; V320-I329 WeakPolarHBondContact O-CB 3.29Å; V320-I329 PolarHBondContact O-N 2.87Å; A322-I329 HydrophobicContact CB-CD1 4.2Å; A322-I329 HydrophobicContact CB-CG1 4.4Å; E327-I329 PolarHBondContact O-N 3.26Å
330	T	96.8	Very high	96.8	Very high	63 Å²	63	56.3 Å²	56.3	39%	0.387	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	166.8	-178.4	-168.7	0	0	0	0	111.4	V320 L332	V320-T330 HydrophobicContact CB-CG2 4.01Å; V320-T330 HydrophobicContact CG2-CG2 3.81Å; V320-T330 PolarHBondContact N-O 3.29Å; T330-L332 HydrophobicContact CG2-CD2 4.09Å
331	M	97.2	Very high	96.7	Very high	48 Å²	48	56.1 Å²	56.1	24%	0.236	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115	169.9	-65.4	-65.6	-68.5	0	0	108.2	C314 A319 L328 R333	C314-M331 HydrophobicContact CB-CE 4.07Å; A319-M331 WeakPolarHBondContact CA-SD 3.25Å; A319-M331 HydrophobicContact CB-CE 3.87Å; A319-M331 HydrophobicContact CB-SD 3.33Å; A319-M331 WeakPolarHBondContact CB-SD 3.47Å; L328-M331 HydrophobicContact CD1-CG 4.49Å; L328-M331 HydrophobicContact CD1-SD 3.87Å; L328-M331 HydrophobicContact CD2-CG 4.44Å; L328-M331 HydrophobicContact CD2-SD 4.41Å; M331-R333 HydrophobicContact CB-CG 4.48Å; M331-R333 PolarHBondContact O-N 3.36Å
332	L	97.8	Very high	96.7	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	109.8	175.9	-57.6	176	0	0	0	109	L30 S317 V318 V320 T330 L351 W363	L30-L332 HydrophobicContact CD2-CD1 3.35Å; L30-L332 HydrophobicContact CD2-CD2 3.49Å; L30-L332 VanDerWaalsContact CD2-CD2 3.49Å; L30-L332 HydrophobicContact CD2-CG 4.05Å; S317-L332 VanDerWaalsContact CA-O 3.24Å; S317-L332 WeakPolarHBondContact CA-O 3.37Å; S317-L332 VanDerWaalsContact CB-O 3.28Å; S317-L332 WeakPolarHBondContact CB-O 3.4Å; V318-L332 HydrophobicContact CB-CB 4.16Å; V318-L332 HydrophobicContact CB-CD1 4.28Å; V318-L332 PolarHBondContact N-O 2.75Å; V318-L332 PolarHBondContact O-N 2.81Å; V320-L332 HydrophobicContact CG2-CD1 3.89Å; V320-L332 HydrophobicContact CG2-CD2 4.46Å; V320-L332 HydrophobicContact CG2-CG 3.83Å; T330-L332 HydrophobicContact CG2-CD2 4.09Å; L332-L351 HydrophobicContact CD1-CD2 3.5Å; L332-W363 HydrophobicContact CB-CD2 4.16Å; L332-W363 HydrophobicContact CB-CE3 3.77Å; L332-W363 HydrophobicContact CB-CH2 3.85Å; L332-W363 HydrophobicContact CB-CZ2 4.21Å; L332-W363 HydrophobicContact CB-CZ3 3.62Å; L332-W363 HydrophobicContact CD1-CD2 4.24Å; L332-W363 HydrophobicContact CD1-CE3 4.38Å; L332-W363 HydrophobicContact CD1-CG 4.38Å; L332-W363 HydrophobicContact CD2-CE3 4.21Å; L332-W363 HydrophobicContact CG-CE3 4.33Å
333	R	97.3	Very high	96.7	Very high	191 Å²	191	56.5 Å²	56.5	72%	0.721	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.3	-174.6	-63.6	-178.3	-179.5	-170.5	1.5	110.2	S317 M331 W363	S317-R333 WeakPolarHBondContact OG-CG 3.16Å; M331-R333 HydrophobicContact CB-CG 4.48Å; M331-R333 PolarHBondContact O-N 3.36Å; R333-W363 VanDerWaalsContact C-CH2 3.48Å
334	G	95.2	Very high	96.8	Very high	23 Å²	23	56.8 Å²	56.8	24%	0.237	28%	0.277	C	S	.	.			trans	-178.8	-34.6	-176.2	0	0	0	0	0	113.2
335	H	97.1	Very high	96.8	Very high	9 Å²	9	52.5 Å²	52.5	4%	0.042	26%	0.257	C	S	.	.			trans	-73.2	146.1	172.6	-73.4	-79.3	0	0	0	111.7	V339 S353 G355 D357 N359 L361	H335-V339 HydrophobicContact CB-CG2 3.86Å; H335-V339 VanDerWaalsContact CD2-CG2 3.42Å; H335-V339 WeakPolarHBondContact CD2-CG2 3.46Å; H335-S353 PolarHBondContact CD2-OG 3.05Å; H335-S353 PolarHBondContact NE2-O 3.36Å; H335-S353 PolarHBondContact NE2-OG 3.14Å; H335-G355 PolarHBondContact CE1-N 2.73Å; H335-D357 IonicContact CE1-OD1 3.74Å; H335-D357 IonicContact CG-OD2 3.43Å; H335-D357 IonicContact ND1-OD1 2.71Å; H335-D357 PolarHBondContact ND1-OD1 2.84Å; H335-D357 IonicContact ND1-OD2 3.77Å; H335-D357 PolarHBondContact ND1-OD2 3.1Å; H335-N359 PolarHBondContact CE1-O 3.14Å; H335-L361 HydrophobicContact CB-CD1 4.48Å
336	Y	94.8	Very high	96.5	Very high	212 Å²	212	51 Å²	51	83%	0.831	25%	0.249	S	C	*	.	S	Bend	trans	-94.3	-11.1	177.1	-66.7	-81.3	0	0	0	113	D357	Y336-D357 PolarHBondContact N-OD2 3Å
337	N	95.7	Very high	96.2	Very high	72 Å²	72	54.7 Å²	54.7	39%	0.385	27%	0.267	S	S	.	.	S	Bend	trans	-134.8	175.3	178.6	-157.5	-16.6	0	0	0	109.4	S316 V339 K356 D357	S316-N337 VanDerWaalsContact CA-O 3.28Å; S316-N337 WeakPolarHBondContact CA-O 3.36Å; S316-N337 WeakPolarHBondContact CB-O 3.48Å; N337-V339 PolarHBondContact O-N 3.06Å; N337-K356 HydrophobicContact CB-CB 4.08Å; N337-D357 HydrophobicContact CB-CB 4.03Å
338	N	96	Very high	95.9	Very high	52 Å²	52	53.3 Å²	53.3	28%	0.278	26%	0.257	S	S	.	.			trans	-56	137.3	-176	-69.2	29.1	0	0	0	111.9	G315 G355 K356	G315-N338 CarbonylContact O-C 3.53Å; G315-N338 VanDerWaalsContact O-CA 3.23Å; G315-N338 WeakPolarHBondContact O-CA 3.44Å; N338-G355 CarbonylContact O-C 3.6Å; N338-G355 WeakPolarHBondContact O-CA 3.33Å; N338-K356 HydrophobicContact CB-CD 4.13Å; N338-K356 HydrophobicContact CB-CG 4.43Å; N338-K356 PolarHBondContact O-N 3.27Å
339	V	97.5	Very high	95.7	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.03	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.4	172.5	-174.8	0	0	0	0	108.3	P313 G315 V318 H335 N337 C341 G354	P313-V339 HydrophobicContact CB-CB 3.9Å; P313-V339 HydrophobicContact CB-CG1 3.85Å; P313-V339 VanDerWaalsContact CB-O 3.27Å; P313-V339 WeakPolarHBondContact CB-O 3.33Å; P313-V339 HydrophobicContact CG-CG1 4.13Å; G315-V339 PolarHBondContact O-N 3.41Å; V318-V339 HydrophobicContact CG2-CG1 3.95Å; H335-V339 HydrophobicContact CB-CG2 3.86Å; H335-V339 VanDerWaalsContact CD2-CG2 3.42Å; H335-V339 WeakPolarHBondContact CD2-CG2 3.46Å; N337-V339 PolarHBondContact O-N 3.06Å; V339-C341 WeakPolarHBondContact CG1-O 3.3Å; V339-G354 WeakPolarHBondContact CG1-O 3.36Å
340	D	96.1	Very high	95.7	Very high	14 Å²	14	47.3 Å²	47.3	8%	0.075	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-27.8	-178.2	-78.4	-32	0	0	0	111.8	I46 Q298 G354 K356	I46-D340 WeakPolarHBondContact O-CB 3.44Å; Q298-D340 PolarHBondContact N-O 2.85Å; D340-G354 PolarHBondContact N-O 3.44Å; D340-K356 VanDerWaalsContact CG-CE 3.48Å; D340-K356 WeakPolarHBondContact OD1-CE 3.37Å; D340-K356 IonicContact OD1-NZ 3.96Å; D340-K356 WeakPolarHBondContact OD2-CE 3.34Å; D340-K356 WeakPolarHBondContact OD2-CG 3.44Å
341	C	97.6	Very high	95.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.7	180	60.5	0	0	0	0	113.5	N47 T48 Q298 V339 S353 G354	N47-C341 WeakPolarHBondContact O-CB 3.39Å; T48-C341 PolarHBondContact N-SG 3.48Å; Q298-C341 HydrophobicContact CB-CB 3.7Å; Q298-C341 HydrophobicContact CG-CB 4.11Å; Q298-C341 WeakPolarHBondContact O-CA 3.34Å; V339-C341 WeakPolarHBondContact CG1-O 3.3Å; C341-S353 WeakPolarHBondContact O-CA 3.18Å; C341-G354 PolarHBondContact N-O 2.95Å; C341-G354 PolarHBondContact O-N 3.26Å
342	C	98.1	Very high	95.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	146	163.9	63.2	0	0	0	0	111.5	Q298 F311 V318 L351 Y352	Q298-C342 PolarHBondContact O-N 2.91Å; F311-C342 PolarHBondContact O-SG 2.67Å; V318-C342 HydrophobicContact CG1-CB 4.45Å; V318-C342 HydrophobicContact CG2-CB 4.3Å; C342-L351 HydrophobicContact CB-CD1 4.22Å; C342-L351 HydrophobicContact CB-CD2 4.47Å; C342-L351 HydrophobicContact CB-CG 4.43Å; C342-Y352 CarbonylContact C-O 3.13Å; C342-Y352 WeakPolarHBondContact CA-O 3.47Å; C342-Y352 WeakPolarHBondContact CB-O 3.37Å
343	E	97.9	Very high	95.8	Very high	28 Å²	28	41.8 Å²	41.8	13%	0.131	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.2	-179.6	-162.4	55.4	-114	0	0	110.8	I49 I51 Q298 S300 L351 Y352	I49-E343 HydrophobicContact CB-CB 4.35Å; I49-E343 HydrophobicContact CG2-CB 4.12Å; I51-E343 HydrophobicContact CD1-CB 4.43Å; I51-E343 HydrophobicContact CD1-CG 4.23Å; I51-E343 HydrophobicContact CG1-CG 4.18Å; Q298-E343 PolarHBondContact NE2-OE2 3.22Å; S300-E343 PolarHBondContact OG-OE1 3.08Å; E343-L351 WeakPolarHBondContact O-CD1 3.49Å; E343-Y352 PolarHBondContact N-O 3.35Å; E343-Y352 PolarHBondContact O-N 3.21Å
344	F	97.5	Very high	95.8	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.1	-176.1	179.8	-103.6	0	0	0	110.6	V27 S300 F311 P346 Q349 E350 L351	V27-F344 HydrophobicContact CG2-CE2 3.99Å; V27-F344 HydrophobicContact CG2-CZ 3.95Å; S300-F344 PolarHBondContact OG-N 3.28Å; F311-F344 HydrophobicContact CD2-CB 4.3Å; F311-F344 HydrophobicContact CD2-CD2 4.26Å; F311-F344 HydrophobicContact CE2-CB 4.16Å; F311-F344 AromaticContact CE2-CD2 3.4Å; F311-F344 HydrophobicContact CE2-CD2 3.4Å; F311-F344 VanDerWaalsContact CE2-CD2 3.4Å; F311-F344 AromaticContact CE2-CE2 3.94Å; F311-F344 HydrophobicContact CE2-CE2 3.94Å; F311-F344 AromaticContact CE2-CG 3.9Å; F311-F344 HydrophobicContact CE2-CG 3.9Å; F311-F344 AromaticContact CZ-CD2 3.73Å; F311-F344 HydrophobicContact CZ-CD2 3.73Å; F311-F344 AromaticContact CZ-CE2 3.91Å; F311-F344 HydrophobicContact CZ-CE2 3.91Å; F344-P346 HydrophobicContact CE1-CB 4.39Å; F344-P346 WeakPolarHBondContact O-CD 3.26Å; F344-Q349 HydrophobicContact CE2-CB 4.37Å; F344-Q349 HydrophobicContact CZ-CB 4.04Å; F344-Q349 HydrophobicContact CZ-CG 4.12Å; F344-E350 VanDerWaalsContact CD2-O 3.22Å; F344-E350 WeakPolarHBondContact CD2-O 3.24Å; F344-L351 HydrophobicContact CB-CD1 4.17Å
345	H	96.1	Very high	95.9	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.014	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111	173.9	-168.9	-47.4	0	0	0	109.9	I51 G56 D347 Y348 Q349 E350 Y352	I51-H345 HydrophobicContact CD1-CB 3.93Å; G56-H345 PolarHBondContact O-NE2 3.25Å; H345-D347 IonicContact CE1-OD2 3.82Å; H345-D347 PolarHBondContact CE1-OD2 2.87Å; H345-D347 PolarHBondContact ND1-N 3.21Å; H345-Y348 AromaticContact CE1-CD2 3.45Å; H345-Y348 VanDerWaalsContact CE1-CD2 3.45Å; H345-Y348 WeakPolarHBondContact CE1-CD2 3.49Å; H345-Y348 AromaticContact CE1-CE2 3.78Å; H345-Y348 AromaticContact ND1-CD2 3.83Å; H345-Y348 AromaticContact NE2-CD2 3.65Å; H345-Y348 AromaticContact NE2-CE2 3.85Å; H345-Q349 WeakPolarHBondContact O-CA 3.28Å; H345-Q349 PolarHBondContact O-N 3.45Å; H345-Q349 VanDerWaalsContact O-N 3.07Å; H345-E350 HydrophobicContact CB-CB 4.15Å; H345-E350 PolarHBondContact N-O 3.17Å; H345-E350 PolarHBondContact O-N 3.38Å; H345-Y352 HydrophobicContact CB-CE2 4.41Å
346	P	90.5	Very high	95.8	Very high	53 Å²	53	35.5 Å²	35.5	34%	0.344	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-36.4	-170.5	27.9	-35.3	0	0	0	114.1	H303 F344 Q349	H303-P346 HydrophobicContact CB-CB 4.13Å; F344-P346 HydrophobicContact CE1-CB 4.39Å; F344-P346 WeakPolarHBondContact O-CD 3.26Å; P346-Q349 PolarHBondContact O-NE2 3.22Å
347	D	90.7	Very high	95.8	Very high	82 Å²	82	26.7 Å²	26.7	44%	0.439	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-43.1	-173.5	-56.1	-52.4	0	0	0	113.2	H345 Q349	H345-D347 IonicContact CE1-OD2 3.82Å; H345-D347 PolarHBondContact CE1-OD2 2.87Å; H345-D347 PolarHBondContact ND1-N 3.21Å; D347-Q349 PolarHBondContact O-NE2 3.07Å
348	Y	89.8	Confident	95.8	Very high	96 Å²	96	23.4 Å²	23.4	38%	0.376	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-4.6	-178	-53.8	-57.5	0	0	0	114	R26 E74 H345 E350	R26-Y348 PolarHBondContact NH1-O 2.7Å; R26-Y348 PolarHBondContact NH2-O 3.2Å; E74-Y348 PolarHBondContact OE1-OH 2.94Å; H345-Y348 AromaticContact CE1-CD2 3.45Å; H345-Y348 VanDerWaalsContact CE1-CD2 3.45Å; H345-Y348 WeakPolarHBondContact CE1-CD2 3.49Å; H345-Y348 AromaticContact CE1-CE2 3.78Å; H345-Y348 AromaticContact ND1-CD2 3.83Å; H345-Y348 AromaticContact NE2-CD2 3.65Å; H345-Y348 AromaticContact NE2-CE2 3.85Å; Y348-E350 VanDerWaalsContact C-N 3.31Å
349	Q	94.5	Very high	95.8	Very high	9 Å²	9	23.2 Å²	23.2	4%	0.042	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	44.8	-172.9	-62	80.4	57.8	0	0	112.5	R26 V27 F344 H345 P346 D347	R26-Q349 HydrophobicContact CB-CB 4.17Å; V27-Q349 HydrophobicContact CG2-CB 3.97Å; V27-Q349 HydrophobicContact CG2-CG 4.16Å; F344-Q349 HydrophobicContact CE2-CB 4.37Å; F344-Q349 HydrophobicContact CZ-CB 4.04Å; F344-Q349 HydrophobicContact CZ-CG 4.12Å; H345-Q349 WeakPolarHBondContact O-CA 3.28Å; H345-Q349 PolarHBondContact O-N 3.45Å; H345-Q349 VanDerWaalsContact O-N 3.07Å; P346-Q349 PolarHBondContact O-NE2 3.22Å; D347-Q349 PolarHBondContact O-NE2 3.07Å
350	E	95.4	Very high	95.8	Very high	21 Å²	21	23.6 Å²	23.6	10%	0.098	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	164.3	179.9	-59.9	176.4	162.8	0	0	110	R36 F344 H345 Y348 W363 V364	R36-E350 IonicContact CZ-OE1 3.35Å; R36-E350 IonicContact CZ-OE2 3.8Å; R36-E350 VanDerWaalsContact NH1-CD 3.26Å; R36-E350 IonicContact NH1-OE1 3.57Å; R36-E350 PolarHBondContact NH1-OE1 3.08Å; R36-E350 VanDerWaalsContact NH1-OE1 3.1Å; R36-E350 IonicContact NH1-OE2 3.1Å; R36-E350 PolarHBondContact NH1-OE2 3.18Å; R36-E350 IonicContact NH2-OE1 3.72Å; R36-E350 PolarHBondContact NH2-OE1 2.8Å; R36-E350 IonicContact NH2-OE2 2.76Å; R36-E350 PolarHBondContact NH2-OE2 3.41Å; F344-E350 VanDerWaalsContact CD2-O 3.22Å; F344-E350 WeakPolarHBondContact CD2-O 3.24Å; H345-E350 HydrophobicContact CB-CB 4.15Å; H345-E350 PolarHBondContact N-O 3.17Å; H345-E350 PolarHBondContact O-N 3.38Å; Y348-E350 VanDerWaalsContact C-N 3.31Å; E350-W363 WeakPolarHBondContact CA-O 3.49Å; E350-W363 WeakPolarHBondContact CB-O 3.45Å; E350-V364 HydrophobicContact CG-CG1 4.12Å
351	L	97.9	Very high	95.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.3	175.2	-173.7	79.1	0	0	0	108.9	L30 F311 V318 L332 C342 E343 F344 W363	L30-L351 HydrophobicContact CD1-CB 4.01Å; F311-L351 HydrophobicContact CB-CD1 3.99Å; F311-L351 HydrophobicContact CB-CD2 4.3Å; F311-L351 HydrophobicContact CD1-CD1 4.16Å; F311-L351 HydrophobicContact CD1-CD2 3.91Å; F311-L351 HydrophobicContact CD2-CD1 3.98Å; F311-L351 HydrophobicContact CG-CD1 3.78Å; F311-L351 HydrophobicContact CG-CD2 4.22Å; V318-L351 HydrophobicContact CG1-CD2 4.11Å; L332-L351 HydrophobicContact CD1-CD2 3.5Å; C342-L351 HydrophobicContact CB-CD1 4.22Å; C342-L351 HydrophobicContact CB-CD2 4.47Å; C342-L351 HydrophobicContact CB-CG 4.43Å; E343-L351 WeakPolarHBondContact O-CD1 3.49Å; F344-L351 HydrophobicContact CB-CD1 4.17Å; L351-W363 HydrophobicContact CB-CB 4.09Å; L351-W363 HydrophobicContact CB-CG 4.29Å; L351-W363 HydrophobicContact CD2-CG 4.43Å; L351-W363 PolarHBondContact N-O 3.06Å; L351-W363 VanDerWaalsContact O-CD1 3.24Å; L351-W363 PolarHBondContact O-N 2.89Å
352	Y	98.1	Very high	95.8	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.3	167.2	-67.3	-92.5	0	0	0	109.1	V38 I51 M59 L73 C342 E343 H345 L361 S362	V38-Y352 HydrophobicContact CG2-CD1 4.49Å; V38-Y352 HydrophobicContact CG2-CE1 4.38Å; I51-Y352 HydrophobicContact CD1-CD2 3.8Å; I51-Y352 HydrophobicContact CD1-CE2 4.26Å; M59-Y352 HydrophobicContact CE-CD1 4.37Å; M59-Y352 HydrophobicContact SD-CD1 3.98Å; M59-Y352 HydrophobicContact SD-CD2 4.4Å; M59-Y352 HydrophobicContact SD-CG 3.88Å; L73-Y352 HydrophobicContact CD1-CE2 3.82Å; L73-Y352 HydrophobicContact CD2-CE1 3.82Å; L73-Y352 HydrophobicContact CD2-CE2 4.48Å; C342-Y352 CarbonylContact C-O 3.13Å; C342-Y352 WeakPolarHBondContact CA-O 3.47Å; C342-Y352 WeakPolarHBondContact CB-O 3.37Å; E343-Y352 PolarHBondContact N-O 3.35Å; E343-Y352 PolarHBondContact O-N 3.21Å; H345-Y352 HydrophobicContact CB-CE2 4.41Å; Y352-L361 WeakPolarHBondContact CA-O 3.4Å; Y352-S362 WeakPolarHBondContact CE1-OG 3.49Å
353	S	98.4	Very high	95.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.4	176.9	60.8	0	0	0	0	112	H335 C341 L360 L361 W363	H335-S353 PolarHBondContact CD2-OG 3.05Å; H335-S353 PolarHBondContact NE2-O 3.36Å; H335-S353 PolarHBondContact NE2-OG 3.14Å; C341-S353 WeakPolarHBondContact O-CA 3.18Å; S353-L360 CarbonylContact O-C 3.51Å; S353-L360 WeakPolarHBondContact O-CA 3.25Å; S353-L361 PolarHBondContact N-O 3.08Å; S353-L361 PolarHBondContact O-N 2.98Å; S353-W363 PolarHBondContact OG-NE1 3.47Å
354	G	97.9	Very high	95.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126	177.8	0	0	0	0	0	110.9	V339 D340 C341	V339-G354 WeakPolarHBondContact CG1-O 3.36Å; D340-G354 PolarHBondContact N-O 3.44Å; C341-G354 PolarHBondContact N-O 2.95Å; C341-G354 PolarHBondContact O-N 3.26Å
355	G	96.3	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	164.2	-178	0	0	0	0	0	114.1	G45 I46 H335 N338 D357 G358 N359	G45-G355 VanDerWaalsContact CA-O 3.3Å; G45-G355 WeakPolarHBondContact CA-O 3.34Å; I46-G355 PolarHBondContact N-O 2.66Å; I46-G355 VanDerWaalsContact N-O 3.13Å; H335-G355 PolarHBondContact CE1-N 2.73Å; N338-G355 CarbonylContact O-C 3.6Å; N338-G355 WeakPolarHBondContact O-CA 3.33Å; G355-D357 WeakPolarHBondContact CA-OD1 3.45Å; G355-D357 PolarHBondContact O-N 2.97Å; G355-G358 PolarHBondContact O-N 3.42Å; G355-G358 VanDerWaalsContact O-N 3.14Å; G355-N359 PolarHBondContact N-O 2.91Å
356	K	95.7	Very high	95.1	Very high	92 Å²	92	27.7 Å²	27.7	40%	0.4	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.2	168.4	-72.1	-168.5	-172	172	0	113.8	N337 N338 D340 G358	N337-K356 HydrophobicContact CB-CB 4.08Å; N338-K356 HydrophobicContact CB-CD 4.13Å; N338-K356 HydrophobicContact CB-CG 4.43Å; N338-K356 PolarHBondContact O-N 3.27Å; D340-K356 VanDerWaalsContact CG-CE 3.48Å; D340-K356 WeakPolarHBondContact OD1-CE 3.37Å; D340-K356 IonicContact OD1-NZ 3.96Å; D340-K356 WeakPolarHBondContact OD2-CE 3.34Å; D340-K356 WeakPolarHBondContact OD2-CG 3.44Å; K356-G358 PolarHBondContact O-N 3.04Å
357	D	94.8	Very high	94.4	Very high	26 Å²	26	30.2 Å²	30.2	14%	0.139	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.3	170	53.5	8.4	0	0	0	112.7	R40 H335 Y336 N337 G355 N359	R40-D357 PolarHBondContact NH2-O 3.14Å; H335-D357 IonicContact CE1-OD1 3.74Å; H335-D357 IonicContact CG-OD2 3.43Å; H335-D357 IonicContact ND1-OD1 2.71Å; H335-D357 PolarHBondContact ND1-OD1 2.84Å; H335-D357 IonicContact ND1-OD2 3.77Å; H335-D357 PolarHBondContact ND1-OD2 3.1Å; Y336-D357 PolarHBondContact N-OD2 3Å; N337-D357 HydrophobicContact CB-CB 4.03Å; G355-D357 WeakPolarHBondContact CA-OD1 3.45Å; G355-D357 PolarHBondContact O-N 2.97Å; D357-N359 VanDerWaalsContact C-N 3.26Å; D357-N359 PolarHBondContact OD1-N 2.93Å
358	G	94.3	Very high	92.9	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.031	18%	0.176	C	C	.	.	S	Bend	trans	77.3	15.4	-179.2	0	0	0	0	0	112.7	N44 G355 K356	N44-G358 WeakPolarHBondContact O-CA 3.34Å; G355-G358 PolarHBondContact O-N 3.42Å; G355-G358 VanDerWaalsContact O-N 3.14Å; K356-G358 PolarHBondContact O-N 3.04Å
359	N	96.3	Very high	91	Very high	49 Å²	49	38 Å²	38	26%	0.262	19%	0.194	S	C	.	.			trans	-108.6	146.3	178.2	-67.2	-34.1	0	0	0	111.2	R40 I46 H335 G355 D357	R40-N359 WeakPolarHBondContact CD-OD1 3.48Å; I46-N359 VanDerWaalsContact CD1-C 3.48Å; I46-N359 VanDerWaalsContact CD1-O 3.27Å; I46-N359 WeakPolarHBondContact CD1-O 3.3Å; H335-N359 PolarHBondContact CE1-O 3.14Å; G355-N359 PolarHBondContact N-O 2.91Å; D357-N359 VanDerWaalsContact C-N 3.26Å; D357-N359 PolarHBondContact OD1-N 2.93Å
360	L	97.2	Very high	88.6	Confident	13 Å²	13	41.5 Å²	41.5	7%	0.068	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.2	164.9	-74	168	0	0	0	107.6	V38 I46 I49 M59 Y71 S353	V38-L360 HydrophobicContact CB-CB 3.81Å; V38-L360 HydrophobicContact CG1-CB 3.74Å; V38-L360 HydrophobicContact CG1-CD1 3.71Å; V38-L360 HydrophobicContact CG1-CG 4.37Å; V38-L360 HydrophobicContact CG2-CB 4.22Å; I46-L360 HydrophobicContact CB-CD2 4.47Å; I46-L360 HydrophobicContact CD1-CD2 4.35Å; I46-L360 HydrophobicContact CD1-CG 4.1Å; I46-L360 HydrophobicContact CG1-CD2 4.28Å; I46-L360 HydrophobicContact CG1-CG 4.27Å; I46-L360 HydrophobicContact CG2-CD2 4.07Å; I49-L360 HydrophobicContact CD1-CD2 3.31Å; I49-L360 HydrophobicContact CG1-CD2 3.71Å; M59-L360 HydrophobicContact CE-CD1 3.95Å; Y71-L360 HydrophobicContact CD2-CD1 4.22Å; Y71-L360 HydrophobicContact CE2-CD1 3.48Å; Y71-L360 VanDerWaalsContact CE2-CD1 3.48Å; S353-L360 CarbonylContact O-C 3.51Å; S353-L360 WeakPolarHBondContact O-CA 3.25Å
361	L	97.7	Very high	85.9	Confident	32 Å²	32	47.8 Å²	47.8	17%	0.168	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.9	175.7	-64.6	-175.7	0	0	0	110.5	L32 H335 Y352 S353 W363	L32-L361 HydrophobicContact CD1-CB 4.02Å; L32-L361 HydrophobicContact CD1-CD1 4.02Å; L32-L361 HydrophobicContact CD1-CD2 4.29Å; L32-L361 HydrophobicContact CD1-CG 4.34Å; H335-L361 HydrophobicContact CB-CD1 4.48Å; Y352-L361 WeakPolarHBondContact CA-O 3.4Å; S353-L361 PolarHBondContact N-O 3.08Å; S353-L361 PolarHBondContact O-N 2.98Å; L361-W363 HydrophobicContact CB-CZ2 4.24Å; L361-W363 HydrophobicContact CD1-CH2 4.49Å; L361-W363 HydrophobicContact CD1-CZ2 4.13Å
362	S	97.1	Very high	83.2	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.007	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.8	178.5	-161.3	0	0	0	0	110.9	N33 R36 Y352	N33-S362 WeakPolarHBondContact CB-O 3.4Å; N33-S362 PolarHBondContact N-O 3.01Å; R36-S362 PolarHBondContact NE-OG 3.08Å; R36-S362 PolarHBondContact NH2-OG 3.32Å; Y352-S362 WeakPolarHBondContact CE1-OG 3.49Å
363	W	97.6	Very high	80.4	Confident	3 Å²	3	62.1 Å²	62.1	1%	0.011	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.9	-177.5	-42.4	82.2	0	0	0	109.9	L30 K31 L32 L332 R333 E350 L351 S353 L361	L30-W363 HydrophobicContact CD2-CB 3.28Å; L30-W363 HydrophobicContact CD2-CG 4.07Å; L30-W363 HydrophobicContact CG-CB 3.96Å; K31-W363 CarbonylContact O-C 3.56Å; K31-W363 WeakPolarHBondContact O-CA 3.3Å; L32-W363 VanDerWaalsContact CA-CE3 3.47Å; L32-W363 HydrophobicContact CB-CE3 3.8Å; L32-W363 HydrophobicContact CB-CH2 4.48Å; L32-W363 HydrophobicContact CB-CZ3 3.65Å; L32-W363 HydrophobicContact CD1-CD2 4.39Å; L32-W363 HydrophobicContact CD1-CE3 4.18Å; L32-W363 HydrophobicContact CD1-CH2 4.22Å; L32-W363 HydrophobicContact CD1-CZ2 4.45Å; L32-W363 HydrophobicContact CD1-CZ3 4.08Å; L32-W363 HydrophobicContact CG-CZ3 4.4Å; L332-W363 HydrophobicContact CB-CD2 4.16Å; L332-W363 HydrophobicContact CB-CE3 3.77Å; L332-W363 HydrophobicContact CB-CH2 3.85Å; L332-W363 HydrophobicContact CB-CZ2 4.21Å; L332-W363 HydrophobicContact CB-CZ3 3.62Å; L332-W363 HydrophobicContact CD1-CD2 4.24Å; L332-W363 HydrophobicContact CD1-CE3 4.38Å; L332-W363 HydrophobicContact CD1-CG 4.38Å; L332-W363 HydrophobicContact CD2-CE3 4.21Å; L332-W363 HydrophobicContact CG-CE3 4.33Å; R333-W363 VanDerWaalsContact C-CH2 3.48Å; E350-W363 WeakPolarHBondContact CA-O 3.49Å; E350-W363 WeakPolarHBondContact CB-O 3.45Å; L351-W363 HydrophobicContact CB-CB 4.09Å; L351-W363 HydrophobicContact CB-CG 4.29Å; L351-W363 HydrophobicContact CD2-CG 4.43Å; L351-W363 PolarHBondContact N-O 3.06Å; L351-W363 VanDerWaalsContact O-CD1 3.24Å; L351-W363 PolarHBondContact O-N 2.89Å; S353-W363 PolarHBondContact OG-NE1 3.47Å; L361-W363 HydrophobicContact CB-CZ2 4.24Å; L361-W363 HydrophobicContact CD1-CH2 4.49Å; L361-W363 HydrophobicContact CD1-CZ2 4.13Å
364	V	95.6	Very high	77.5	Confident	23 Å²	23	70.5 Å²	70.5	14%	0.139	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.8	-175.7	-64.2	0	0	0	0	111.8	L30 K31 N33 R36 E350 V366	L30-V364 WeakPolarHBondContact CA-O 3.26Å; K31-V364 PolarHBondContact N-O 3.28Å; K31-V364 PolarHBondContact O-N 3.11Å; N33-V364 HydrophobicContact CB-CB 4.31Å; N33-V364 HydrophobicContact CB-CG1 3.93Å; N33-V364 HydrophobicContact CB-CG2 3.6Å; N33-V364 VanDerWaalsContact ND2-CG1 3.29Å; N33-V364 WeakPolarHBondContact ND2-CG1 3.44Å; R36-V364 VanDerWaalsContact CZ-CG1 3.5Å; E350-V364 HydrophobicContact CG-CG1 4.12Å; V364-V366 PolarHBondContact O-N 3.09Å
365	P	93.4	Very high	74.5	Confident	12 Å²	12	79 Å²	79	8%	0.078	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	121.7	170.8	29.6	-34.5	0	0	0	110.3	R26 V367	R26-P365 HydrophobicContact CB-CB 3.59Å; R26-P365 HydrophobicContact CB-CG 4.05Å; R26-P365 HydrophobicContact CG-CB 4.14Å; R26-P365 HydrophobicContact CG-CG 4.43Å; R26-P365 WeakPolarHBondContact O-CB 3.34Å; P365-V367 PolarHBondContact O-N 3.36Å
366	V	87.8	Confident	71.6	Confident	65 Å²	65	84.8 Å²	84.8	39%	0.394	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-74.8	126	174.2	-178.1	0	0	0	0	109.2	S29 K31 V364 R368	S29-V366 PolarHBondContact O-N 3.13Å; S29-V366 PolarHBondContact OG-N 3.35Å; S29-V366 PolarHBondContact OG-O 2.91Å; K31-V366 HydrophobicContact CB-CG2 3.97Å; K31-V366 HydrophobicContact CD-CG2 3.9Å; K31-V366 HydrophobicContact CG-CG2 4.03Å; V364-V366 PolarHBondContact O-N 3.09Å; V366-R368 PolarHBondContact O-N 2.79Å
367	V	75.8	Confident	68.9	Low	106 Å²	106	88.2 Å²	88.2	64%	0.642	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-74.5	119.7	168.6	-175.6	0	0	0	0	106.8	P365 T369	P365-V367 PolarHBondContact O-N 3.36Å; V367-T369 PolarHBondContact O-N 2.57Å
368	R	59.6	Low	66.4	Low	220 Å²	220	90.4 Å²	90.4	83%	0.83	50%	0.501	S	S	*	.			trans	-59.7	111.4	165.5	-80.1	-174.2	171	165.5	-2.8	106.8	V366 A370	V366-R368 PolarHBondContact O-N 2.79Å; R368-A370 PolarHBondContact O-N 3.33Å
369	T	49.8	Very low	63.5	Low	123 Å²	123	99.5 Å²	99.5	76%	0.755	54%	0.543	S	S	*	.			trans	-54.8	131.4	154.6	42.2	0	0	0	0	105.8	V367 D371	V367-T369 PolarHBondContact O-N 2.57Å; T369-D371 PolarHBondContact O-N 2.87Å
370	A	43.6	Very low	60.6	Low	82 Å²	82	104.8 Å²	104.8	68%	0.678	57%	0.571	S	S	*	*			trans	-50.1	132.1	167.1	0	0	0	0	0	106.2	R368 V372	R368-A370 PolarHBondContact O-N 3.33Å; A370-V372 PolarHBondContact O-N 3.24Å
371	D	39.3	Very low	57.5	Low	153 Å²	153	113.6 Å²	113.6	82%	0.818	61%	0.609	S	S	*	*			trans	-52.3	104.1	168.2	-59.9	-50.3	0	0	0	104.8	T369 E373	T369-D371 PolarHBondContact O-N 2.87Å; D371-E373 PolarHBondContact O-N 3.12Å
372	V	40.7	Very low	54.3	Low	124 Å²	124	118.3 Å²	118.3	75%	0.752	64%	0.638	S	S	*	*			trans	-65.5	104.9	164.7	177.1	0	0	0	0	100.8	A370 E374	A370-V372 PolarHBondContact O-N 3.24Å; V372-E374 PolarHBondContact O-N 3.26Å
373	E	39.5	Very low	51.2	Low	177 Å²	177	122.9 Å²	122.9	83%	0.827	68%	0.676	S	S	*	*			trans	-52.8	97	163.1	-68.8	-177.6	171.8	0	0	104.7	D371 E375	D371-E373 PolarHBondContact O-N 3.12Å; E373-E375 PolarHBondContact O-N 3.39Å
374	E	37.9	Very low	48	Very low	177 Å²	177	129.1 Å²	129.1	83%	0.827	72%	0.715	S	S	*	*			trans	-57.8	111.4	165.4	-77.7	-171.8	162.3	0	0	104.1	V372	V372-E374 PolarHBondContact O-N 3.26Å
375	E	34.1	Very low	44.9	Very low	177 Å²	177	131.4 Å²	131.4	83%	0.827	74%	0.742	S	S	*	*			trans	-49.7	128.3	173.3	-73.9	-145.6	161	0	0	107.7	E373 N377	E373-E375 PolarHBondContact O-N 3.39Å; E375-N377 PolarHBondContact O-N 3.1Å
376	P	36.9	Very low	41.9	Very low	122 Å²	122	138.8 Å²	138.8	79%	0.792	78%	0.781	S	S	*	*			trans	-67.3	106.1	-177.1	26.9	-31.1	0	0	0	106.9	G378	P376-G378 PolarHBondContact O-N 2.63Å
377	N	38.5	Very low	39.1	Very low	165 Å²	165	140.9 Å²	140.9	88%	0.882	80%	0.798	S	S	*	*			trans	-50	116.4	162.3	-94.2	-24.4	0	0	0	106.8	E375 E379	E375-N377 PolarHBondContact O-N 3.1Å; N377-E379 PolarHBondContact O-N 3.33Å
378	G	42.7	Very low	37.3	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	81%	0.809	S	S	*	*			trans	-57.5	123.6	-171.5	0	0	0	0	0	110.9	P376	P376-G378 PolarHBondContact O-N 2.63Å
379	E	33.1	Very low	36.1	Very low	195 Å²	195	136.2 Å²	136.2	91%	0.911	81%	0.805	S	S	*	*			trans	-164	126	139.6	-107.5	170.2	-158.8	0	0	109.7	N377	N377-E379 PolarHBondContact O-N 3.33Å
380	N	34.8	Very low	35.5	Very low	159 Å²	159	136.1 Å²	136.1	85%	0.85	80%	0.8	S	S	*	*			trans	-48.3	132.1	179.9	-80.9	-40.7	0	0	0	113.3
381	K	31.8	Very low	35.3	Very low	198 Å²	198	137.7 Å²	137.7	86%	0.861	80%	0.803	S	S	*	*				-173.1	114.5	126	-99.7	159.5	-169.1	-176.3	0	114.1
382	V	30.6	Very low	35.3	Very low	131 Å²	131	133.7 Å²	133.7	79%	0.794	79%	0.791	S	S	*	*			trans	57.9	106.6	142.5	-166.6	0	0	0	0	118.6
383	A	32.7	Very low	35.4	Very low	97 Å²	97	136.9 Å²	136.9	80%	0.802	80%	0.795	S	S	*	*			trans	-62.2	132.1	167.2	0	0	0	0	0	112.9
384	V	30.8	Very low	35.3	Very low	135 Å²	135	136.7 Å²	136.7	82%	0.818	79%	0.794	S	S	*	*			trans	-129.6	101.5	150.6	179.7	0	0	0	0	106
385	G	29.5	Very low	35.4	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	79%	0.794	S	S	*	*			trans	-77.1	127.1	178.5	0	0	0	0	0	111.2
386	L	30.5	Very low	35.8	Very low	168 Å²	168	134.5 Å²	134.5	88%	0.88	79%	0.794	S	S	*	*			trans	-136.3	93.5	154.6	-87.6	164.5	0	0	0	107.3	A388	L386-A388 PolarHBondContact O-N 2.9Å
387	S	29.7	Very low	36	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	80%	0.8	S	S	*	*			trans	-66.5	108.2	171.6	52.5	0	0	0	0	110	V389	S387-V389 PolarHBondContact O-N 3.28Å
388	A	37.4	Very low	36.3	Very low	106 Å²	106	137.7 Å²	137.7	88%	0.876	80%	0.795	S	S	*	*			trans	-78.9	90.4	163.8	0	0	0	0	0	108.6	L386	L386-A388 PolarHBondContact O-N 2.9Å
389	V	34.4	Very low	36.2	Very low	123 Å²	123	139.8 Å²	139.8	75%	0.745	80%	0.799	S	S	*	*			trans	-82.3	126.7	170	-179.5	0	0	0	0	108.6	S387	S387-V389 PolarHBondContact O-N 3.28Å
390	N	36.8	Very low	36.9	Very low	121 Å²	121	137.9 Å²	137.9	65%	0.647	79%	0.794	S	S	*	*			trans	-64.9	127	177.4	-161.3	1.5	0	0	0	110	A392	N390-A392 PolarHBondContact O-N 3.37Å
391	P	39	Very low	37.3	Very low	114 Å²	114	139.1 Å²	139.1	74%	0.74	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	15.2	-170.8	29.4	-35.4	0	0	0	115.1
392	A	40.8	Very low	37.7	Very low	69 Å²	69	140.8 Å²	140.8	57%	0.57	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-2.6	-175.1	0	0	0	0	0	114.8	N390	N390-A392 PolarHBondContact O-N 3.37Å
393	F	43	Very low	38	Very low	191 Å²	191	141.3 Å²	141.3	84%	0.838	82%	0.815	S	S	*	*			trans	-139.5	42.1	-175.8	-68.9	-78.1	0	0	0	113.4	D395	F393-D395 PolarHBondContact O-N 3.1Å
394	Q	37	Very low	38.3	Very low	173 Å²	173	143.6 Å²	143.6	81%	0.808	82%	0.815	S	S	*	*			trans	-87.6	94.6	164.4	-100.8	-179.6	-17.3	0	0	109.4
395	D	39.7	Very low	38.7	Very low	155 Å²	155	144.1 Å²	144.1	83%	0.829	82%	0.815	S	S	*	*			trans	-71.8	122.2	163.1	-91.8	-25.5	0	0	0	109.1	F393 W397	F393-D395 PolarHBondContact O-N 3.1Å; D395-W397 PolarHBondContact O-N 3.22Å
396	N	42.4	Very low	39.3	Very low	153 Å²	153	148.5 Å²	148.5	82%	0.818	82%	0.821	S	S	*	*			trans	-90.4	83.9	179.8	-121	13.8	0	0	0	109.1
397	W	41.4	Very low	39.8	Very low	244 Å²	244	147.3 Å²	147.3	92%	0.924	82%	0.817	S	S	*	*			trans	-138.2	128	166.4	-76.3	83.5	0	0	0	110.6	D395	D395-W397 PolarHBondContact O-N 3.22Å
398	S	45.2	Very low	40.5	Very low	110 Å²	110	149.9 Å²	149.9	77%	0.769	82%	0.821	S	S	*	*			trans	-72.7	155.1	-172	60.7	0	0	0	0	114.6
399	S	40.4	Very low	40.7	Very low	116 Å²	116	153 Å²	153	81%	0.811	82%	0.817	S	S	*	*				-157	124.7	125.3	54.8	0	0	0	0	110.2
400	D	46.3	Very low	41.2	Very low	154 Å²	154	155.3 Å²	155.3	82%	0.824	82%	0.823	S	S	*	*			trans	-53.2	141	160.4	-61	-53.1	0	0	0	110.5
401	E	43.9	Very low	41.6	Very low	186 Å²	186	158.2 Å²	158.2	87%	0.869	84%	0.837	S	S	*	*				-172.4	143.6	129.1	-101.6	178.1	-167.8	0	0	111
402	D	39.8	Very low	41.8	Very low	233 Å²	233	162.2 Å²	162.2	100%	1.246	85%	0.846	S	S	*	*			trans	70.3	0	178.4	-60	-21.3	0	0	0	121

Retrieved 402 of 402 residues in 2800.3 ms (Link to these results)

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