A0A3Q0KBV4_SCHMA Loading...

Eukaryotic translation initiation factor 3 subunit I

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation.

AlphaFold DB , UniProt , Accession A0A3Q0KBV4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 327 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	77.4	Confident	89	Confident	76 Å²	76	89.6 Å²	89.6	37%	0.374	43%	0.434	S	S	.	.				0	134.6	0	49.8	-177	-85.1	0	0	109.4	V282 F301 H313 T314 D316	M1-V282 HydrophobicContact CE-CB 4.1Å; M1-V282 HydrophobicContact CE-CG1 3.41Å; M1-V282 VanDerWaalsContact CE-CG1 3.41Å; M1-V282 HydrophobicContact CE-CG2 3.53Å; M1-V282 HydrophobicContact SD-CG2 3.58Å; M1-V282 VanDerWaalsContact SD-CG2 3.58Å; M1-F301 HydrophobicContact CE-CE1 3.84Å; M1-F301 HydrophobicContact CE-CZ 3.7Å; M1-F301 HydrophobicContact SD-CE1 4.18Å; M1-F301 HydrophobicContact SD-CZ 4.42Å; M1-H313 HydrophobicContact CE-CB 3.57Å; M1-H313 WeakPolarHBondContact CE-CD2 3.45Å; M1-H313 VanDerWaalsContact CE-CG 3.4Å; M1-T314 WeakPolarHBondContact CA-O 3.35Å; M1-T314 WeakPolarHBondContact CB-O 3.34Å; M1-D316 WeakPolarHBondContact CA-OD1 3.44Å; M1-D316 PolarHBondContact N-OD1 3.44Å; M1-D316 PolarHBondContact N-OD2 2.94Å
2	R	76.9	Confident	89.5	Confident	213 Å²	213	83.6 Å²	83.6	80%	0.804	41%	0.407	S	S	*	.			trans	-111.4	124.9	173.8	-68.2	-177.4	-179.1	-179.4	1	109.5
3	P	87	Confident	90.1	Very high	71 Å²	71	77.2 Å²	77.2	46%	0.461	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131.5	178.6	28.5	-31.4	0	0	0	111.8	L312	P3-L312 CarbonylContact C-O 3.47Å; P3-L312 VanDerWaalsContact CA-O 3.25Å; P3-L312 WeakPolarHBondContact CA-O 3.49Å
4	T	92.2	Very high	90.5	Very high	64 Å²	64	73.6 Å²	73.6	39%	0.393	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.9	162.8	-58.1	0	0	0	0	108.3	L6 R311 L312	T4-L6 HydrophobicContact CG2-CD2 4.42Å; T4-R311 WeakPolarHBondContact O-CA 3.33Å; T4-L312 PolarHBondContact N-O 3.44Å; T4-L312 PolarHBondContact O-N 2.92Å
5	I	93.2	Very high	90.9	Very high	86 Å²	86	69.9 Å²	69.9	44%	0.441	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.7	-177.6	-53.2	179	0	0	0	109.1	N7 Y309 R311	I5-N7 VanDerWaalsContact CG2-OD1 3.3Å; I5-N7 WeakPolarHBondContact CG2-OD1 3.45Å; I5-Y309 HydrophobicContact CG2-CG 4.3Å; I5-R311 HydrophobicContact CG1-CG 4.38Å
6	L	94.2	Very high	91.2	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117.3	174.1	-46.4	179.8	0	0	0	109.5	T4 W37 G42 V310 L312	T4-L6 HydrophobicContact CG2-CD2 4.42Å; L6-W37 HydrophobicContact CB-CD2 4.2Å; L6-W37 HydrophobicContact CB-CE3 4.17Å; L6-W37 HydrophobicContact CB-CH2 4.32Å; L6-W37 HydrophobicContact CB-CZ2 4.34Å; L6-W37 HydrophobicContact CB-CZ3 4.21Å; L6-W37 HydrophobicContact CD1-CB 4.02Å; L6-W37 HydrophobicContact CD1-CD2 3.88Å; L6-W37 HydrophobicContact CD1-CE3 4.35Å; L6-W37 HydrophobicContact CD1-CG 3.69Å; L6-W37 HydrophobicContact CD2-CD2 4.46Å; L6-W37 HydrophobicContact CD2-CE3 4.1Å; L6-W37 HydrophobicContact CG-CD2 4.42Å; L6-W37 HydrophobicContact CG-CE3 4.44Å; L6-G42 VanDerWaalsContact CD2-CA 3.42Å; L6-G42 WeakPolarHBondContact CD2-O 3.29Å; L6-V310 HydrophobicContact CB-CB 4.14Å; L6-V310 HydrophobicContact CD1-CB 4.13Å; L6-V310 HydrophobicContact CD1-CG1 3.95Å; L6-V310 HydrophobicContact CG-CB 4.4Å; L6-V310 PolarHBondContact N-O 3.04Å; L6-V310 PolarHBondContact O-N 2.87Å; L6-L312 HydrophobicContact CD1-CD1 3.9Å; L6-L312 HydrophobicContact CD1-CD2 3.94Å; L6-L312 HydrophobicContact CD1-CG 3.8Å; L6-L312 HydrophobicContact CD2-CD1 3.96Å; L6-L312 HydrophobicContact CD2-CG 4.24Å; L6-L312 HydrophobicContact CG-CD1 4.2Å; L6-L312 HydrophobicContact CG-CG 4Å
7	N	90.8	Very high	91.5	Very high	104 Å²	104	63.8 Å²	63.8	56%	0.556	31%	0.312	S	S	*	.			trans	-109.5	96.2	179.2	-68.6	-16.4	0	0	0	109.2	I5 Y309	I5-N7 VanDerWaalsContact CG2-OD1 3.3Å; I5-N7 WeakPolarHBondContact CG2-OD1 3.45Å; N7-Y309 WeakPolarHBondContact OD1-CD1 3.31Å; N7-Y309 WeakPolarHBondContact OD1-CE1 3.23Å
8	G	87.9	Confident	91.8	Very high	25 Å²	25	61.5 Å²	61.5	26%	0.258	30%	0.3	S	S	.	.			trans	-143.8	-15.9	174.4	0	0	0	0	0	115.6
9	H	93.1	Very high	92	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.046	29%	0.285	C	S	.	.			trans	-107.8	138.6	175	-62.6	-91	0	0	0	110.6	I13 T27 A29 N31 S33 C35	H9-I13 HydrophobicContact CB-CD1 3.83Å; H9-T27 PolarHBondContact CE1-O 2.64Å; H9-T27 VanDerWaalsContact CE1-O 3.28Å; H9-T27 PolarHBondContact NE2-O 2.96Å; H9-T27 PolarHBondContact NE2-OG1 3.3Å; H9-A29 HydrophobicContact CB-CB 3.76Å; H9-A29 VanDerWaalsContact ND1-CB 3.3Å; H9-A29 WeakPolarHBondContact ND1-CB 3.48Å; H9-N31 PolarHBondContact ND1-ND2 3.17Å; H9-N31 PolarHBondContact ND1-OD1 2.97Å; H9-S33 PolarHBondContact CE1-O 3.4Å; H9-S33 PolarHBondContact ND1-O 2.95Å; H9-C35 PolarHBondContact NE2-SG 3.01Å
10	E	92.2	Very high	92.1	Very high	185 Å²	185	59.3 Å²	59.3	86%	0.864	30%	0.296	S	S	*	.	S	Bend	trans	-93.9	-2.4	174.4	-59.4	-177.5	166.4	0	0	112.5
11	R	94.5	Very high	92.1	Very high	149 Å²	149	62.2 Å²	62.2	56%	0.562	31%	0.313	S	S	*	.	S	Bend	trans	-127.2	159.2	-173.1	-68.8	-66.4	-171.5	176	0.5	109.9	I13 A29 K30 N31 G308	R11-I13 PolarHBondContact O-N 3.31Å; R11-A29 WeakPolarHBondContact O-CB 3Å; R11-K30 HydrophobicContact CB-CB 4.13Å; R11-N31 HydrophobicContact CB-CB 4.03Å; R11-N31 HydrophobicContact CG-CB 3.88Å; R11-G308 WeakPolarHBondContact O-CA 3.04Å
12	P	94.6	Very high	92.9	Very high	17 Å²	17	59 Å²	59	11%	0.11	30%	0.299	C	S	.	.			trans	-48.7	129.7	177.3	-30.7	34.2	0	0	0	113.5	A29 K30 E306	P12-A29 CarbonylContact O-C 3.48Å; P12-A29 WeakPolarHBondContact O-CA 3.11Å; P12-A29 WeakPolarHBondContact O-CB 3.39Å; P12-K30 HydrophobicContact CB-CD 3.92Å; P12-K30 HydrophobicContact CB-CG 4.23Å; P12-K30 HydrophobicContact CG-CD 4.01Å; P12-K30 PolarHBondContact O-N 2.98Å; P12-E306 WeakPolarHBondContact CA-O 3.3Å; P12-E306 VanDerWaalsContact CB-CD 3.48Å; P12-E306 HydrophobicContact CB-CG 4.31Å; P12-E306 WeakPolarHBondContact CB-OE2 3.36Å; P12-E306 HydrophobicContact CG-CG 4.05Å; P12-E306 VanDerWaalsContact CG-O 3.3Å; P12-E306 WeakPolarHBondContact CG-O 3.04Å; P12-E306 WeakPolarHBondContact CG-OE1 3.49Å
13	I	96.8	Very high	93.8	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	136.6	173.8	-56.1	-56.9	0	0	0	108.9	H9 R11 I16 A28 A29 N290 G305 V310	H9-I13 HydrophobicContact CB-CD1 3.83Å; R11-I13 PolarHBondContact O-N 3.31Å; I13-I16 HydrophobicContact CG2-CD1 4.15Å; I13-I16 HydrophobicContact CG2-CG1 3.79Å; I13-A28 WeakPolarHBondContact CG2-O 3.24Å; I13-A29 HydrophobicContact CD1-CB 3.96Å; I13-N290 WeakPolarHBondContact O-CB 3.43Å; I13-N290 PolarHBondContact O-ND2 2.81Å; I13-G305 PolarHBondContact N-O 3.12Å; I13-G305 VanDerWaalsContact N-O 3.09Å; I13-V310 HydrophobicContact CD1-CG2 3.74Å; I13-V310 HydrophobicContact CG1-CG2 3.78Å; I13-V310 HydrophobicContact CG2-CG2 4.35Å
14	T	95.9	Very high	94.2	Very high	28 Å²	28	49.2 Å²	49.2	17%	0.172	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-42	179.9	49.9	0	0	0	0	111.2	A28 A29 K30 V55	T14-A28 PolarHBondContact N-O 3.02Å; T14-A28 WeakPolarHBondContact OG1-CB 3.11Å; T14-A28 PolarHBondContact OG1-O 3.32Å; T14-A28 VanDerWaalsContact OG1-O 3.09Å; T14-A29 PolarHBondContact OG1-N 3.12Å; T14-K30 HydrophobicContact CG2-CG 3.64Å; T14-V55 WeakPolarHBondContact CB-O 3.44Å; T14-V55 PolarHBondContact OG1-O 2.87Å
15	R	96.3	Very high	94.5	Very high	18 Å²	18	46.1 Å²	46.1	7%	0.068	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	140.8	-177.1	-166.8	71.2	178.8	175.6	0.6	111.5	A28 L58 D194 M195	R15-A28 HydrophobicContact CB-CB 4.4Å; R15-A28 PolarHBondContact N-O 2.62Å; R15-A28 PolarHBondContact O-N 3.35Å; R15-L58 HydrophobicContact CB-CG 4.2Å; R15-L58 HydrophobicContact CG-CD1 4.23Å; R15-L58 HydrophobicContact CG-CG 4.06Å; R15-D194 IonicContact CZ-OD1 3.43Å; R15-D194 IonicContact NH1-OD1 3.33Å; R15-D194 PolarHBondContact NH1-OD1 3.04Å; R15-D194 IonicContact NH1-OD2 3.81Å; R15-D194 PolarHBondContact NH1-OD2 3.24Å; R15-D194 IonicContact NH2-OD1 2.7Å; R15-D194 PolarHBondContact NH2-OD1 3.34Å; R15-M195 PolarHBondContact NH2-O 3.28Å
16	I	96.9	Very high	94.7	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.6	169	-57.9	169	0	0	0	107.9	I13 I25 F26 T27 S291 A293 A302 T303 G304 V310	I13-I16 HydrophobicContact CG2-CD1 4.15Å; I13-I16 HydrophobicContact CG2-CG1 3.79Å; I16-I25 HydrophobicContact CG2-CG2 3.64Å; I16-F26 WeakPolarHBondContact CA-O 3.31Å; I16-T27 HydrophobicContact CG1-CG2 4.33Å; I16-T27 HydrophobicContact CG2-CG2 4.41Å; I16-S291 PolarHBondContact N-OG 2.83Å; I16-A293 HydrophobicContact CB-CB 4.43Å; I16-A293 HydrophobicContact CG2-CB 4.19Å; I16-A302 HydrophobicContact CD1-CB 4.42Å; I16-A302 HydrophobicContact CG2-CB 3.87Å; I16-T303 VanDerWaalsContact CD1-C 3.47Å; I16-G304 VanDerWaalsContact CD1-CA 3.5Å; I16-V310 HydrophobicContact CD1-CG1 3.79Å; I16-V310 HydrophobicContact CD1-CG2 4.06Å; I16-V310 HydrophobicContact CG1-CG2 4.41Å
17	I	96.6	Very high	94.8	Very high	33 Å²	33	41.9 Å²	41.9	17%	0.169	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.8	170.4	-152	173.7	0	0	0	109.8	I25 F26 L58 D59 V60	I17-I25 WeakPolarHBondContact O-CA 3.28Å; I17-F26 HydrophobicContact CG2-CB 3.99Å; I17-F26 HydrophobicContact CG2-CD2 4.15Å; I17-F26 HydrophobicContact CG2-CG 4.46Å; I17-F26 PolarHBondContact N-O 2.6Å; I17-F26 PolarHBondContact O-N 3.26Å; I17-L58 HydrophobicContact CB-CD1 3.63Å; I17-L58 HydrophobicContact CG2-CD1 3.13Å; I17-D59 WeakPolarHBondContact CD1-OD1 3.26Å; I17-V60 HydrophobicContact CD1-CG1 4.36Å; I17-V60 HydrophobicContact CG2-CG1 4.08Å
18	Y	96.7	Very high	95.1	Very high	23 Å²	23	37 Å²	37	9%	0.09	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	153.9	165.3	-76.7	-102.5	0	0	0	109.4	L24 I25 A293 F294 A302	Y18-L24 WeakPolarHBondContact CA-O 3.48Å; Y18-I25 HydrophobicContact CD1-CD1 4.14Å; Y18-I25 HydrophobicContact CD1-CG1 3.63Å; Y18-I25 HydrophobicContact CE1-CD1 3.38Å; Y18-I25 HydrophobicContact CE1-CG1 3.42Å; Y18-I25 VanDerWaalsContact CE1-CG1 3.42Å; Y18-I25 HydrophobicContact CE2-CD1 4.21Å; Y18-I25 HydrophobicContact CE2-CG1 4.36Å; Y18-I25 HydrophobicContact CG-CG1 4.21Å; Y18-I25 VanDerWaalsContact CZ-CD1 3.41Å; Y18-I25 WeakPolarHBondContact OH-CD1 3.32Å; Y18-A293 HydrophobicContact CD2-CB 4.01Å; Y18-A293 HydrophobicContact CE2-CB 4.14Å; Y18-F294 VanDerWaalsContact CD2-O 3.29Å; Y18-F294 WeakPolarHBondContact CD2-O 3.4Å; Y18-A302 HydrophobicContact CE2-CB 3.76Å
19	N	95.7	Very high	95.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.011	18%	0.179	C	C	.	.			trans	-73.7	173.7	162.4	74.5	-39.7	0	0	0	111.3	D21 G22 D23 L24 F26 V60 T64 P296	N19-D21 VanDerWaalsContact C-N 3.34Å; N19-D21 PolarHBondContact O-N 3.21Å; N19-G22 PolarHBondContact O-N 3.38Å; N19-G22 WeakPolarHBondContact OD1-CA 3.27Å; N19-G22 PolarHBondContact OD1-N 3.15Å; N19-D23 VanDerWaalsContact CG-OD1 3.31Å; N19-D23 PolarHBondContact ND2-OD1 3.3Å; N19-D23 PolarHBondContact OD1-N 2.52Å; N19-D23 PolarHBondContact OD1-OD1 3.13Å; N19-L24 HydrophobicContact CB-CB 4.37Å; N19-L24 PolarHBondContact N-O 2.69Å; N19-L24 VanDerWaalsContact N-O 3.08Å; N19-L24 PolarHBondContact OD1-N 2.6Å; N19-L24 PolarHBondContact OD1-O 3.1Å; N19-F26 HydrophobicContact CB-CE2 4.29Å; N19-V60 HydrophobicContact CB-CG1 4.33Å; N19-T64 HydrophobicContact CB-CG2 3.68Å; N19-T64 WeakPolarHBondContact ND2-CG2 3.34Å; N19-T64 PolarHBondContact ND2-OG1 2.86Å; N19-T64 VanDerWaalsContact ND2-OG1 3.17Å; N19-P296 WeakPolarHBondContact O-CG 3.32Å
20	C	92.6	Very high	95.6	Very high	76 Å²	76	39.8 Å²	39.8	51%	0.514	20%	0.197	S	C	.	.	S	Bend	trans	-64.8	-36.4	-177.6	-171.5	0	0	0	0	112.9	G22	C20-G22 VanDerWaalsContact C-N 3.29Å; C20-G22 PolarHBondContact O-N 3.27Å
21	D	93.5	Very high	95.6	Very high	121 Å²	121	32.3 Å²	32.3	65%	0.647	16%	0.163	S	C	*	.	S	Bend	trans	-76.6	-18.6	179.6	-56.3	-55.1	0	0	0	112.6	N19 D23	N19-D21 VanDerWaalsContact C-N 3.34Å; N19-D21 PolarHBondContact O-N 3.21Å; D21-D23 VanDerWaalsContact C-N 3.3Å; D21-D23 PolarHBondContact O-N 3.46Å
22	G	93.9	Very high	95.5	Very high	8 Å²	8	30.1 Å²	30.1	8%	0.082	16%	0.159	C	C	.	.	S	Bend	trans	79.2	5.1	177.1	0	0	0	0	0	115.1	N19 C20 S39	N19-G22 PolarHBondContact O-N 3.38Å; N19-G22 WeakPolarHBondContact OD1-CA 3.27Å; N19-G22 PolarHBondContact OD1-N 3.15Å; C20-G22 VanDerWaalsContact C-N 3.29Å; C20-G22 PolarHBondContact O-N 3.27Å; G22-S39 VanDerWaalsContact O-CB 3.24Å; G22-S39 WeakPolarHBondContact O-CB 3.35Å; G22-S39 PolarHBondContact O-OG 3.08Å
23	D	95.2	Very high	95.4	Very high	66 Å²	66	30.9 Å²	30.9	35%	0.353	16%	0.164	S	C	.	.	S	Bend	trans	-83.9	-22.1	177.9	67.1	-39.7	0	0	0	113.2	N19 D21 Y38 S39	N19-D23 VanDerWaalsContact CG-OD1 3.31Å; N19-D23 PolarHBondContact ND2-OD1 3.3Å; N19-D23 PolarHBondContact OD1-N 2.52Å; N19-D23 PolarHBondContact OD1-OD1 3.13Å; D21-D23 VanDerWaalsContact C-N 3.3Å; D21-D23 PolarHBondContact O-N 3.46Å; D23-Y38 CarbonylContact O-C 3.57Å; D23-Y38 WeakPolarHBondContact O-CA 3.35Å; D23-S39 WeakPolarHBondContact CA-OG 3.16Å; D23-S39 PolarHBondContact O-N 2.84Å; D23-S39 PolarHBondContact O-OG 3.46Å
24	L	96.7	Very high	95.4	Very high	13 Å²	13	30.9 Å²	30.9	7%	0.068	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.4	179.4	-62.3	-179	0	0	0	112.7	Y18 N19 F26 V36 W37 Y38 L45 T64 V81	Y18-L24 WeakPolarHBondContact CA-O 3.48Å; N19-L24 HydrophobicContact CB-CB 4.37Å; N19-L24 PolarHBondContact N-O 2.69Å; N19-L24 VanDerWaalsContact N-O 3.08Å; N19-L24 PolarHBondContact OD1-N 2.6Å; N19-L24 PolarHBondContact OD1-O 3.1Å; L24-F26 HydrophobicContact CB-CE2 4.13Å; L24-F26 HydrophobicContact CD1-CZ 4.4Å; L24-V36 HydrophobicContact CB-CG1 4.38Å; L24-V36 HydrophobicContact CD1-CG1 4.43Å; L24-V36 HydrophobicContact CD2-CG1 4.25Å; L24-W37 CarbonylContact C-O 3.51Å; L24-W37 WeakPolarHBondContact CA-O 3.42Å; L24-Y38 HydrophobicContact CD2-CD1 3.69Å; L24-Y38 HydrophobicContact CD2-CE1 3.84Å; L24-Y38 HydrophobicContact CD2-CG 4.44Å; L24-L45 HydrophobicContact CD1-CD2 4.32Å; L24-L45 HydrophobicContact CD2-CD2 3.9Å; L24-T64 HydrophobicContact CD1-CG2 3.96Å; L24-V81 HydrophobicContact CD1-CG1 4.47Å
25	I	97	Very high	95.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.2	174.8	-55.3	177.9	0	0	0	108.6	I16 I17 Y18 T27 V36 W37 L312	I16-I25 HydrophobicContact CG2-CG2 3.64Å; I17-I25 WeakPolarHBondContact O-CA 3.28Å; Y18-I25 HydrophobicContact CD1-CD1 4.14Å; Y18-I25 HydrophobicContact CD1-CG1 3.63Å; Y18-I25 HydrophobicContact CE1-CD1 3.38Å; Y18-I25 HydrophobicContact CE1-CG1 3.42Å; Y18-I25 VanDerWaalsContact CE1-CG1 3.42Å; Y18-I25 HydrophobicContact CE2-CD1 4.21Å; Y18-I25 HydrophobicContact CE2-CG1 4.36Å; Y18-I25 HydrophobicContact CG-CG1 4.21Å; Y18-I25 VanDerWaalsContact CZ-CD1 3.41Å; Y18-I25 WeakPolarHBondContact OH-CD1 3.32Å; I25-T27 HydrophobicContact CG2-CG2 3.92Å; I25-V36 WeakPolarHBondContact O-CA 3.36Å; I25-W37 PolarHBondContact N-O 3.06Å; I25-W37 PolarHBondContact O-N 2.78Å; I25-L312 HydrophobicContact CD1-CD1 3.8Å; I25-L312 HydrophobicContact CD1-CD2 3.22Å; I25-L312 HydrophobicContact CD1-CG 4.14Å
26	F	97.3	Very high	95.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	136.2	172.6	-55.1	-101.6	0	0	0	109.6	I16 I17 N19 L24 V36 Y48 L58 V60 L67 V81	I16-F26 WeakPolarHBondContact CA-O 3.31Å; I17-F26 HydrophobicContact CG2-CB 3.99Å; I17-F26 HydrophobicContact CG2-CD2 4.15Å; I17-F26 HydrophobicContact CG2-CG 4.46Å; I17-F26 PolarHBondContact N-O 2.6Å; I17-F26 PolarHBondContact O-N 3.26Å; N19-F26 HydrophobicContact CB-CE2 4.29Å; L24-F26 HydrophobicContact CB-CE2 4.13Å; L24-F26 HydrophobicContact CD1-CZ 4.4Å; F26-V36 HydrophobicContact CD1-CB 4.34Å; F26-V36 HydrophobicContact CD1-CG1 4.1Å; F26-V36 HydrophobicContact CD1-CG2 3.49Å; F26-V36 VanDerWaalsContact CD1-CG2 3.49Å; F26-V36 HydrophobicContact CE1-CB 4.32Å; F26-V36 HydrophobicContact CE1-CG1 3.82Å; F26-V36 HydrophobicContact CE1-CG2 3.52Å; F26-V36 HydrophobicContact CZ-CG1 4.09Å; F26-Y48 HydrophobicContact CD1-CE2 4.14Å; F26-Y48 HydrophobicContact CE1-CE2 4.14Å; F26-L58 HydrophobicContact CB-CD1 3.97Å; F26-L58 HydrophobicContact CB-CD2 4.03Å; F26-V60 HydrophobicContact CD2-CB 4.42Å; F26-V60 HydrophobicContact CE2-CB 4.25Å; F26-V60 HydrophobicContact CE2-CG1 4.49Å; F26-V60 HydrophobicContact CE2-CG2 3.88Å; F26-V60 HydrophobicContact CZ-CG2 4.17Å; F26-L67 HydrophobicContact CB-CD1 4.32Å; F26-L67 HydrophobicContact CD1-CD1 3.72Å; F26-L67 HydrophobicContact CD1-CD2 3.84Å; F26-L67 HydrophobicContact CD1-CG 4.32Å; F26-L67 HydrophobicContact CE1-CD1 4.2Å; F26-L67 HydrophobicContact CE1-CD2 4.16Å; F26-L67 HydrophobicContact CG-CD1 4.01Å; F26-V81 HydrophobicContact CE1-CG1 4.2Å; F26-V81 HydrophobicContact CE1-CG2 4.33Å; F26-V81 HydrophobicContact CZ-CG1 3.85Å; F26-V81 HydrophobicContact CZ-CG2 4.18Å
27	T	97.3	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.1	-173.2	53.9	0	0	0	0	109.2	H9 I16 I25 V34 C35 W37 V310	H9-T27 PolarHBondContact CE1-O 2.64Å; H9-T27 VanDerWaalsContact CE1-O 3.28Å; H9-T27 PolarHBondContact NE2-O 2.96Å; H9-T27 PolarHBondContact NE2-OG1 3.3Å; I16-T27 HydrophobicContact CG1-CG2 4.33Å; I16-T27 HydrophobicContact CG2-CG2 4.41Å; I25-T27 HydrophobicContact CG2-CG2 3.92Å; T27-V34 WeakPolarHBondContact O-CA 3.26Å; T27-V34 WeakPolarHBondContact O-CG1 3.33Å; T27-C35 PolarHBondContact N-O 2.85Å; T27-C35 PolarHBondContact O-N 3.25Å; T27-C35 WeakPolarHBondContact OG1-CB 3.26Å; T27-C35 PolarHBondContact OG1-O 2.85Å; T27-C35 VanDerWaalsContact OG1-O 3.04Å; T27-W37 PolarHBondContact OG1-NE1 3.41Å; T27-V310 HydrophobicContact CG2-CG1 4.39Å; T27-V310 HydrophobicContact CG2-CG2 3.86Å
28	A	96.5	Very high	95.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149.7	172.3	0	0	0	0	0	109.6	I13 T14 R15 V34 V55 L58	I13-A28 WeakPolarHBondContact CG2-O 3.24Å; T14-A28 PolarHBondContact N-O 3.02Å; T14-A28 WeakPolarHBondContact OG1-CB 3.11Å; T14-A28 PolarHBondContact OG1-O 3.32Å; T14-A28 VanDerWaalsContact OG1-O 3.09Å; R15-A28 HydrophobicContact CB-CB 4.4Å; R15-A28 PolarHBondContact N-O 2.62Å; R15-A28 PolarHBondContact O-N 3.35Å; A28-V34 HydrophobicContact CB-CG2 4.48Å; A28-V55 HydrophobicContact CB-CB 3.96Å; A28-V55 HydrophobicContact CB-CG1 3.65Å; A28-L58 HydrophobicContact CB-CD2 3.47Å; A28-L58 VanDerWaalsContact CB-CD2 3.47Å; A28-L58 HydrophobicContact CB-CG 4.15Å
29	A	96.4	Very high	95.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	177.7	175.6	0	0	0	0	0	110.5	H9 R11 P12 I13 T14 N31 V55	H9-A29 HydrophobicContact CB-CB 3.76Å; H9-A29 VanDerWaalsContact ND1-CB 3.3Å; H9-A29 WeakPolarHBondContact ND1-CB 3.48Å; R11-A29 WeakPolarHBondContact O-CB 3Å; P12-A29 CarbonylContact O-C 3.48Å; P12-A29 WeakPolarHBondContact O-CA 3.11Å; P12-A29 WeakPolarHBondContact O-CB 3.39Å; I13-A29 HydrophobicContact CD1-CB 3.96Å; T14-A29 PolarHBondContact OG1-N 3.12Å; A29-N31 WeakPolarHBondContact CB-OD1 3Å; A29-N31 PolarHBondContact O-N 2.98Å; A29-N31 VanDerWaalsContact O-O 3.14Å; A29-V55 PolarHBondContact O-N 2.93Å
30	K	94.9	Very high	95.1	Very high	94 Å²	94	38.4 Å²	38.4	41%	0.409	21%	0.206	S	C	.	.	S	Bend	trans	-70.3	26.3	171.9	-58	178.7	-171.6	160.5	0	112.9	R11 P12 T14 A54 E306	R11-K30 HydrophobicContact CB-CB 4.13Å; P12-K30 HydrophobicContact CB-CD 3.92Å; P12-K30 HydrophobicContact CB-CG 4.23Å; P12-K30 HydrophobicContact CG-CD 4.01Å; P12-K30 PolarHBondContact O-N 2.98Å; T14-K30 HydrophobicContact CG2-CG 3.64Å; K30-A54 HydrophobicContact CB-CB 4.31Å; K30-E306 IonicContact NZ-OE1 3.22Å; K30-E306 PolarHBondContact NZ-OE1 3.03Å; K30-E306 IonicContact NZ-OE2 2.89Å
31	N	91.9	Very high	95	Very high	28 Å²	28	38.4 Å²	38.4	15%	0.15	20%	0.201	C	C	.	.	S	Bend	trans	-111.8	178.9	168.4	66.4	-9.8	0	0	0	110	H9 R11 A29 S33 A54 V55	H9-N31 PolarHBondContact ND1-ND2 3.17Å; H9-N31 PolarHBondContact ND1-OD1 2.97Å; R11-N31 HydrophobicContact CB-CB 4.03Å; R11-N31 HydrophobicContact CG-CB 3.88Å; A29-N31 WeakPolarHBondContact CB-OD1 3Å; A29-N31 PolarHBondContact O-N 2.98Å; A29-N31 VanDerWaalsContact O-O 3.14Å; N31-S33 VanDerWaalsContact C-N 3.35Å; N31-S33 PolarHBondContact OD1-O 2.86Å; N31-A54 WeakPolarHBondContact O-CA 3.17Å; N31-V55 PolarHBondContact O-N 3.38Å
32	Q	92.6	Very high	94.9	Very high	104 Å²	104	33.2 Å²	33.2	49%	0.486	18%	0.177	S	C	.	.	S	Bend	trans	-79.8	-18.7	-177.6	-73.5	171.1	-11.9	0	0	113.5	H51 D52 G53	Q32-H51 VanDerWaalsContact CB-O 3.27Å; Q32-H51 WeakPolarHBondContact CB-O 3.31Å; Q32-H51 WeakPolarHBondContact CG-O 3.38Å; Q32-H51 WeakPolarHBondContact O-CB 3.23Å; Q32-D52 PolarHBondContact NE2-O 2.82Å; Q32-G53 WeakPolarHBondContact CA-O 3.13Å
33	S	93.6	Very high	94.9	Very high	32 Å²	32	38.6 Å²	38.6	22%	0.224	20%	0.199	C	C	.	.			trans	-98.2	133.4	-171.8	-54.5	0	0	0	0	111.4	H9 N31 D49	H9-S33 PolarHBondContact CE1-O 3.4Å; H9-S33 PolarHBondContact ND1-O 2.95Å; N31-S33 VanDerWaalsContact C-N 3.35Å; N31-S33 PolarHBondContact OD1-O 2.86Å; S33-D49 WeakPolarHBondContact CB-OD1 3.33Å; S33-D49 PolarHBondContact OG-OD1 3.44Å
34	V	96.2	Very high	95	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.3	163	179	0	0	0	0	108	T27 A28 T47 Y48 V55 L58 L67 T69	T27-V34 WeakPolarHBondContact O-CA 3.26Å; T27-V34 WeakPolarHBondContact O-CG1 3.33Å; A28-V34 HydrophobicContact CB-CG2 4.48Å; V34-T47 CarbonylContact O-C 3.6Å; V34-T47 VanDerWaalsContact O-CA 3.31Å; V34-T47 WeakPolarHBondContact O-CA 3.39Å; V34-Y48 HydrophobicContact CB-CD2 3.95Å; V34-Y48 HydrophobicContact CG1-CD2 3.99Å; V34-Y48 PolarHBondContact N-O 2.84Å; V34-Y48 VanDerWaalsContact N-O 3.17Å; V34-Y48 PolarHBondContact O-N 2.89Å; V34-V55 HydrophobicContact CG2-CB 4.16Å; V34-V55 HydrophobicContact CG2-CG1 3.88Å; V34-V55 HydrophobicContact CG2-CG2 3.88Å; V34-L58 HydrophobicContact CG1-CD2 3.84Å; V34-L67 HydrophobicContact CG1-CD2 4.26Å; V34-T69 HydrophobicContact CG2-CG2 4.02Å
35	C	96.5	Very high	94.9	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	146	178.2	-61.1	0	0	0	0	111	H9 T27 W37	H9-C35 PolarHBondContact NE2-SG 3.01Å; T27-C35 PolarHBondContact N-O 2.85Å; T27-C35 PolarHBondContact O-N 3.25Å; T27-C35 WeakPolarHBondContact OG1-CB 3.26Å; T27-C35 PolarHBondContact OG1-O 2.85Å; T27-C35 VanDerWaalsContact OG1-O 3.04Å; C35-W37 HydrophobicContact CB-CZ2 3.69Å; C35-W37 VanDerWaalsContact CB-NE1 3.31Å
36	V	97	Very high	94.7	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.4	171.4	-166.2	0	0	0	0	109.8	L24 I25 F26 L45 G46 Y48	L24-V36 HydrophobicContact CB-CG1 4.38Å; L24-V36 HydrophobicContact CD1-CG1 4.43Å; L24-V36 HydrophobicContact CD2-CG1 4.25Å; I25-V36 WeakPolarHBondContact O-CA 3.36Å; F26-V36 HydrophobicContact CD1-CB 4.34Å; F26-V36 HydrophobicContact CD1-CG1 4.1Å; F26-V36 HydrophobicContact CD1-CG2 3.49Å; F26-V36 VanDerWaalsContact CD1-CG2 3.49Å; F26-V36 HydrophobicContact CE1-CB 4.32Å; F26-V36 HydrophobicContact CE1-CG1 3.82Å; F26-V36 HydrophobicContact CE1-CG2 3.52Å; F26-V36 HydrophobicContact CZ-CG1 4.09Å; V36-L45 HydrophobicContact CB-CB 4.2Å; V36-L45 HydrophobicContact CG1-CB 4.22Å; V36-L45 HydrophobicContact CG1-CD2 4.03Å; V36-L45 PolarHBondContact O-N 2.83Å; V36-G46 PolarHBondContact N-O 3.12Å; V36-G46 PolarHBondContact O-N 3.24Å; V36-Y48 HydrophobicContact CG2-CD2 4.03Å; V36-Y48 HydrophobicContact CG2-CE2 3.15Å
37	W	96.9	Very high	94.6	Very high	13 Å²	13	49.1 Å²	49.1	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.3	-176.7	-47.4	85.7	0	0	0	110.3	L6 L24 I25 T27 C35 E43 R44	L6-W37 HydrophobicContact CB-CD2 4.2Å; L6-W37 HydrophobicContact CB-CE3 4.17Å; L6-W37 HydrophobicContact CB-CH2 4.32Å; L6-W37 HydrophobicContact CB-CZ2 4.34Å; L6-W37 HydrophobicContact CB-CZ3 4.21Å; L6-W37 HydrophobicContact CD1-CB 4.02Å; L6-W37 HydrophobicContact CD1-CD2 3.88Å; L6-W37 HydrophobicContact CD1-CE3 4.35Å; L6-W37 HydrophobicContact CD1-CG 3.69Å; L6-W37 HydrophobicContact CD2-CD2 4.46Å; L6-W37 HydrophobicContact CD2-CE3 4.1Å; L6-W37 HydrophobicContact CG-CD2 4.42Å; L6-W37 HydrophobicContact CG-CE3 4.44Å; L24-W37 CarbonylContact C-O 3.51Å; L24-W37 WeakPolarHBondContact CA-O 3.42Å; I25-W37 PolarHBondContact N-O 3.06Å; I25-W37 PolarHBondContact O-N 2.78Å; T27-W37 PolarHBondContact OG1-NE1 3.41Å; C35-W37 HydrophobicContact CB-CZ2 3.69Å; C35-W37 VanDerWaalsContact CB-NE1 3.31Å; W37-E43 CarbonylContact C-O 3.57Å; W37-E43 WeakPolarHBondContact CA-O 3.49Å; W37-R44 HydrophobicContact CD2-CB 4.3Å; W37-R44 HydrophobicContact CD2-CG 4.21Å; W37-R44 HydrophobicContact CE3-CB 3.55Å; W37-R44 HydrophobicContact CE3-CG 3.92Å; W37-R44 HydrophobicContact CH2-CB 4.07Å; W37-R44 HydrophobicContact CH2-CG 3.98Å; W37-R44 HydrophobicContact CZ2-CG 4.26Å; W37-R44 HydrophobicContact CZ3-CB 3.44Å; W37-R44 VanDerWaalsContact CZ3-CB 3.44Å; W37-R44 HydrophobicContact CZ3-CG 3.82Å
38	Y	96	Very high	94.5	Very high	92 Å²	92	49.6 Å²	49.6	36%	0.361	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.3	163.3	-73.2	-68.2	0	0	0	109.6	D23 L24 V40 N41 G42 E43 L45	D23-Y38 CarbonylContact O-C 3.57Å; D23-Y38 WeakPolarHBondContact O-CA 3.35Å; L24-Y38 HydrophobicContact CD2-CD1 3.69Å; L24-Y38 HydrophobicContact CD2-CE1 3.84Å; L24-Y38 HydrophobicContact CD2-CG 4.44Å; Y38-V40 VanDerWaalsContact C-N 3.31Å; Y38-V40 PolarHBondContact O-N 2.77Å; Y38-N41 WeakPolarHBondContact CB-OD1 3.2Å; Y38-G42 VanDerWaalsContact O-CA 3.23Å; Y38-G42 WeakPolarHBondContact O-CA 3.15Å; Y38-G42 PolarHBondContact O-N 2.96Å; Y38-E43 HydrophobicContact CD2-CB 4.22Å; Y38-E43 PolarHBondContact N-O 3.33Å; Y38-L45 HydrophobicContact CE2-CB 4.25Å; Y38-L45 HydrophobicContact CE2-CD1 3.82Å; Y38-L45 WeakPolarHBondContact OH-CD1 3.46Å
39	S	93.8	Very high	94.3	Very high	23 Å²	23	53.9 Å²	53.9	16%	0.161	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-32.6	-178	66.1	0	0	0	0	112.9	G22 D23	G22-S39 VanDerWaalsContact O-CB 3.24Å; G22-S39 WeakPolarHBondContact O-CB 3.35Å; G22-S39 PolarHBondContact O-OG 3.08Å; D23-S39 WeakPolarHBondContact CA-OG 3.16Å; D23-S39 PolarHBondContact O-N 2.84Å; D23-S39 PolarHBondContact O-OG 3.46Å
40	V	91	Very high	94	Very high	133 Å²	133	57.5 Å²	57.5	81%	0.806	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-43	-171.9	179.1	0	0	0	0	112.3	Y38	Y38-V40 VanDerWaalsContact C-N 3.31Å; Y38-V40 PolarHBondContact O-N 2.77Å
41	N	90.6	Very high	93.9	Very high	76 Å²	76	53.1 Å²	53.1	41%	0.406	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-11.9	-174.4	66	4.8	0	0	0	113.6	Y38 E43	Y38-N41 WeakPolarHBondContact CB-OD1 3.2Å; N41-E43 VanDerWaalsContact C-N 3.28Å; N41-E43 HydrophobicContact CB-CG 4.47Å; N41-E43 WeakPolarHBondContact ND2-CG 3.26Å; N41-E43 PolarHBondContact ND2-OE2 3.1Å; N41-E43 PolarHBondContact O-N 3.47Å; N41-E43 WeakPolarHBondContact OD1-CB 3.07Å; N41-E43 PolarHBondContact OD1-N 2.93Å
42	G	92	Very high	94	Very high	13 Å²	13	58 Å²	58	13%	0.134	30%	0.303	C	S	.	.			trans	73.9	13.4	-176.2	0	0	0	0	0	114.5	L6 Y38	L6-G42 VanDerWaalsContact CD2-CA 3.42Å; L6-G42 WeakPolarHBondContact CD2-O 3.29Å; Y38-G42 VanDerWaalsContact O-CA 3.23Å; Y38-G42 WeakPolarHBondContact O-CA 3.15Å; Y38-G42 PolarHBondContact O-N 2.96Å
43	E	94.5	Very high	94	Very high	120 Å²	120	53.9 Å²	53.9	56%	0.561	29%	0.287	S	S	*	.			trans	-71.5	137.8	175.2	-71.8	180	166.6	0	0	110.7	W37 Y38 N41 L45	W37-E43 CarbonylContact C-O 3.57Å; W37-E43 WeakPolarHBondContact CA-O 3.49Å; Y38-E43 HydrophobicContact CD2-CB 4.22Å; Y38-E43 PolarHBondContact N-O 3.33Å; N41-E43 VanDerWaalsContact C-N 3.28Å; N41-E43 HydrophobicContact CB-CG 4.47Å; N41-E43 WeakPolarHBondContact ND2-CG 3.26Å; N41-E43 PolarHBondContact ND2-OE2 3.1Å; N41-E43 PolarHBondContact O-N 3.47Å; N41-E43 WeakPolarHBondContact OD1-CB 3.07Å; N41-E43 PolarHBondContact OD1-N 2.93Å; E43-L45 PolarHBondContact O-N 3.24Å
44	R	95.5	Very high	94.1	Very high	140 Å²	140	53.4 Å²	53.4	53%	0.528	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	119.1	177	-164.6	171.3	60.5	-178.8	-0.8	109.8	W37	W37-R44 HydrophobicContact CD2-CB 4.3Å; W37-R44 HydrophobicContact CD2-CG 4.21Å; W37-R44 HydrophobicContact CE3-CB 3.55Å; W37-R44 HydrophobicContact CE3-CG 3.92Å; W37-R44 HydrophobicContact CH2-CB 4.07Å; W37-R44 HydrophobicContact CH2-CG 3.98Å; W37-R44 HydrophobicContact CZ2-CG 4.26Å; W37-R44 HydrophobicContact CZ3-CB 3.44Å; W37-R44 VanDerWaalsContact CZ3-CB 3.44Å; W37-R44 HydrophobicContact CZ3-CG 3.82Å
45	L	94.6	Very high	94.2	Very high	82 Å²	82	53.4 Å²	53.4	43%	0.429	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-43.7	173.5	179.8	62	0	0	0	111.1	L24 V36 Y38 E43	L24-L45 HydrophobicContact CD1-CD2 4.32Å; L24-L45 HydrophobicContact CD2-CD2 3.9Å; V36-L45 HydrophobicContact CB-CB 4.2Å; V36-L45 HydrophobicContact CG1-CB 4.22Å; V36-L45 HydrophobicContact CG1-CD2 4.03Å; V36-L45 PolarHBondContact O-N 2.83Å; Y38-L45 HydrophobicContact CE2-CB 4.25Å; Y38-L45 HydrophobicContact CE2-CD1 3.82Å; Y38-L45 WeakPolarHBondContact OH-CD1 3.46Å; E43-L45 PolarHBondContact O-N 3.24Å
46	G	94.4	Very high	94.1	Very high	28 Å²	28	55.7 Å²	55.7	29%	0.289	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	-176.4	-177.6	0	0	0	0	0	114.4	V36	V36-G46 PolarHBondContact N-O 3.12Å; V36-G46 PolarHBondContact O-N 3.24Å
47	T	95	Very high	94.1	Very high	51 Å²	51	56.4 Å²	56.4	31%	0.313	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.5	177.6	55	0	0	0	0	110.8	V34 D49	V34-T47 CarbonylContact O-C 3.6Å; V34-T47 VanDerWaalsContact O-CA 3.31Å; V34-T47 WeakPolarHBondContact O-CA 3.39Å; T47-D49 WeakPolarHBondContact CB-OD2 3.48Å; T47-D49 PolarHBondContact OG1-OD2 3.49Å
48	Y	95.4	Very high	94.1	Very high	9 Å²	9	55.8 Å²	55.8	4%	0.035	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	102.6	172	-54.1	-85.5	0	0	0	109.2	F26 V34 V36 L67 W79 V81	F26-Y48 HydrophobicContact CD1-CE2 4.14Å; F26-Y48 HydrophobicContact CE1-CE2 4.14Å; V34-Y48 HydrophobicContact CB-CD2 3.95Å; V34-Y48 HydrophobicContact CG1-CD2 3.99Å; V34-Y48 PolarHBondContact N-O 2.84Å; V34-Y48 VanDerWaalsContact N-O 3.17Å; V34-Y48 PolarHBondContact O-N 2.89Å; V36-Y48 HydrophobicContact CG2-CD2 4.03Å; V36-Y48 HydrophobicContact CG2-CE2 3.15Å; Y48-L67 HydrophobicContact CD2-CD2 3.69Å; Y48-L67 HydrophobicContact CE1-CD2 4.4Å; Y48-L67 HydrophobicContact CE2-CD2 3.33Å; Y48-L67 HydrophobicContact CG-CD2 4.35Å; Y48-W79 HydrophobicContact CD1-CB 4.22Å; Y48-W79 AromaticContact CD1-CD2 3.89Å; Y48-W79 HydrophobicContact CD1-CD2 3.89Å; Y48-W79 AromaticContact CD1-CE3 3.56Å; Y48-W79 HydrophobicContact CD1-CE3 3.56Å; Y48-W79 HydrophobicContact CD1-CG 4.18Å; Y48-W79 HydrophobicContact CD1-CZ3 4.1Å; Y48-W79 HydrophobicContact CE1-CB 4.07Å; Y48-W79 HydrophobicContact CE1-CE3 4.42Å; Y48-W79 HydrophobicContact CE1-CG 4.49Å; Y48-W79 HydrophobicContact CG-CD2 4.31Å; Y48-W79 HydrophobicContact CG-CE3 4.2Å; Y48-W79 HydrophobicContact CG-CZ3 4.48Å; Y48-V81 WeakPolarHBondContact OH-CA 3.41Å; Y48-V81 PolarHBondContact OH-O 2.8Å
49	D	91.8	Very high	94.1	Very high	90 Å²	90	52.9 Å²	52.9	48%	0.481	29%	0.285	S	S	.	.			trans	-112.6	34.3	-165.5	-61.9	-48.7	0	0	0	113.9	S33 T47	S33-D49 WeakPolarHBondContact CB-OD1 3.33Å; S33-D49 PolarHBondContact OG-OD1 3.44Å; T47-D49 WeakPolarHBondContact CB-OD2 3.48Å; T47-D49 PolarHBondContact OG1-OD2 3.49Å
50	Q	90.5	Very high	94.2	Very high	76 Å²	76	52.5 Å²	52.5	36%	0.355	28%	0.281	S	S	.	.			trans	-107.5	1.9	179.7	-44.2	179.3	3.5	0	0	115	K77 W79 S86	Q50-K77 PolarHBondContact O-NZ 3.42Å; Q50-W79 HydrophobicContact CB-CH2 3.45Å; Q50-W79 VanDerWaalsContact CB-CH2 3.45Å; Q50-W79 HydrophobicContact CB-CZ2 4.41Å; Q50-W79 HydrophobicContact CB-CZ3 4.07Å; Q50-W79 HydrophobicContact CG-CH2 3.55Å; Q50-W79 HydrophobicContact CG-CZ3 3.62Å; Q50-S86 PolarHBondContact NE2-OG 3.1Å; Q50-S86 PolarHBondContact OE1-OG 3.33Å
51	H	92.9	Very high	94.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	24%	0.244	C	C	.	.			trans	-81.4	144.7	171.8	-83.4	-64.3	0	0	0	110.2	Q32 V55 T69 S71 D73 W79	Q32-H51 VanDerWaalsContact CB-O 3.27Å; Q32-H51 WeakPolarHBondContact CB-O 3.31Å; Q32-H51 WeakPolarHBondContact CG-O 3.38Å; Q32-H51 WeakPolarHBondContact O-CB 3.23Å; H51-V55 HydrophobicContact CB-CG2 4.2Å; H51-T69 WeakPolarHBondContact NE2-CB 3.29Å; H51-T69 PolarHBondContact NE2-OG1 2.81Å; H51-S71 VanDerWaalsContact CE1-CB 3.43Å; H51-S71 WeakPolarHBondContact CE1-CB 3.45Å; H51-S71 WeakPolarHBondContact ND1-CB 3.33Å; H51-D73 WeakPolarHBondContact CA-OD2 3.4Å; H51-D73 WeakPolarHBondContact CB-OD2 3.34Å; H51-D73 IonicContact CE1-OD2 2.75Å; H51-D73 IonicContact CG-OD2 3.63Å; H51-D73 IonicContact ND1-OD1 3.53Å; H51-D73 IonicContact ND1-OD2 3.45Å; H51-D73 PolarHBondContact ND1-OD2 2.77Å; H51-W79 AromaticContact CD2-CZ2 3.85Å; H51-W79 AromaticContact NE2-CZ2 3.98Å
52	D	93.1	Very high	94.4	Very high	132 Å²	132	50.2 Å²	50.2	71%	0.706	25%	0.253	S	S	*	.	S	Bend	trans	-98	-1.8	178.2	-70.1	-42.3	0	0	0	112	Q32 D73	Q32-D52 PolarHBondContact NE2-O 2.82Å; D52-D73 HydrophobicContact CB-CB 4.2Å; D52-D73 PolarHBondContact N-OD2 2.61Å
53	G	93.5	Very high	94.5	Very high	16 Å²	16	52.5 Å²	52.5	17%	0.165	26%	0.264	C	S	.	.	S	Bend	trans	-138.6	-178.3	-176	0	0	0	0	0	113.9	Q32 V55	Q32-G53 WeakPolarHBondContact CA-O 3.13Å; G53-V55 PolarHBondContact O-N 3.39Å
54	A	95.4	Very high	94.5	Very high	22 Å²	22	47.7 Å²	47.7	18%	0.182	24%	0.243	C	C	.	.			trans	-65.5	130	177.1	0	0	0	0	0	111.3	K30 N31 S71 A72	K30-A54 HydrophobicContact CB-CB 4.31Å; N31-A54 WeakPolarHBondContact O-CA 3.17Å; A54-S71 WeakPolarHBondContact O-CA 3.47Å; A54-S71 PolarHBondContact O-OG 3.47Å; A54-A72 HydrophobicContact CB-CB 4.22Å; A54-A72 PolarHBondContact O-N 2.87Å
55	V	96.7	Very high	94.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.8	173.6	-174.9	0	0	0	0	109.1	T14 A28 A29 N31 V34 H51 G53 W57 A70	T14-V55 WeakPolarHBondContact CB-O 3.44Å; T14-V55 PolarHBondContact OG1-O 2.87Å; A28-V55 HydrophobicContact CB-CB 3.96Å; A28-V55 HydrophobicContact CB-CG1 3.65Å; A29-V55 PolarHBondContact O-N 2.93Å; N31-V55 PolarHBondContact O-N 3.38Å; V34-V55 HydrophobicContact CG2-CB 4.16Å; V34-V55 HydrophobicContact CG2-CG1 3.88Å; V34-V55 HydrophobicContact CG2-CG2 3.88Å; H51-V55 HydrophobicContact CB-CG2 4.2Å; G53-V55 PolarHBondContact O-N 3.39Å; V55-W57 WeakPolarHBondContact CG1-O 3.49Å; V55-A70 WeakPolarHBondContact CA-O 3.46Å; V55-A70 WeakPolarHBondContact CG1-O 3.17Å
56	W	95.8	Very high	94.5	Very high	49 Å²	49	40.6 Å²	40.6	19%	0.186	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-31.2	-176.1	-67.6	-24.9	0	0	0	113.2	A70 A72 P95 V96 R97 D113	W56-A70 PolarHBondContact N-O 3.32Å; W56-A72 HydrophobicContact CD2-CB 4.48Å; W56-A72 HydrophobicContact CH2-CB 4.14Å; W56-A72 HydrophobicContact CZ2-CB 3.75Å; W56-P95 HydrophobicContact CH2-CB 3.77Å; W56-P95 HydrophobicContact CZ3-CB 3.64Å; W56-V96 VanDerWaalsContact CE3-O 3.22Å; W56-R97 HydrophobicContact CE3-CB 4.45Å; W56-D113 HydrophobicContact CZ3-CB 4.16Å
57	W	96.2	Very high	94.6	Very high	17 Å²	17	39.3 Å²	39.3	6%	0.064	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153.1	-178.3	-150.7	-90.8	0	0	0	110.4	V55 A70 T98 C99	V55-W57 WeakPolarHBondContact CG1-O 3.49Å; W57-A70 HydrophobicContact CB-CB 3.91Å; W57-A70 PolarHBondContact N-O 2.85Å; W57-A70 PolarHBondContact O-N 3.16Å; W57-T98 HydrophobicContact CD2-CG2 4.15Å; W57-T98 HydrophobicContact CE3-CG2 4.05Å; W57-T98 HydrophobicContact CZ3-CG2 4.38Å; W57-C99 PolarHBondContact NE1-O 2.77Å
58	L	96.5	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.8	172.1	57.3	78	0	0	0	109	R15 I17 F26 A28 V34 L67 L68 T69	R15-L58 HydrophobicContact CB-CG 4.2Å; R15-L58 HydrophobicContact CG-CD1 4.23Å; R15-L58 HydrophobicContact CG-CG 4.06Å; I17-L58 HydrophobicContact CB-CD1 3.63Å; I17-L58 HydrophobicContact CG2-CD1 3.13Å; F26-L58 HydrophobicContact CB-CD1 3.97Å; F26-L58 HydrophobicContact CB-CD2 4.03Å; A28-L58 HydrophobicContact CB-CD2 3.47Å; A28-L58 VanDerWaalsContact CB-CD2 3.47Å; A28-L58 HydrophobicContact CB-CG 4.15Å; V34-L58 HydrophobicContact CG1-CD2 3.84Å; L58-L67 HydrophobicContact CB-CD1 4.32Å; L58-L68 CarbonylContact C-O 3.58Å; L58-L68 VanDerWaalsContact CA-O 3.23Å; L58-L68 WeakPolarHBondContact CA-O 3.31Å; L58-T69 HydrophobicContact CB-CG2 4.32Å
59	D	96.7	Very high	94.8	Very high	31 Å²	31	36.4 Å²	36.4	17%	0.166	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	148.3	174.3	-163.4	17.9	0	0	0	110	I17 L68 G100 I101	I17-D59 WeakPolarHBondContact CD1-OD1 3.26Å; D59-L68 PolarHBondContact N-O 3.47Å; D59-L68 PolarHBondContact O-N 3.46Å; D59-G100 WeakPolarHBondContact OD2-CA 3.23Å; D59-I101 HydrophobicContact CB-CG1 4.49Å; D59-I101 WeakPolarHBondContact O-CD1 3.34Å; D59-I101 PolarHBondContact OD2-N 3.19Å
60	V	96.3	Very high	95	Very high	15 Å²	15	32.1 Å²	32.1	9%	0.091	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.2	-177	65.8	0	0	0	0	109.7	I17 N19 F26	I17-V60 HydrophobicContact CD1-CG1 4.36Å; I17-V60 HydrophobicContact CG2-CG1 4.08Å; N19-V60 HydrophobicContact CB-CG1 4.33Å; F26-V60 HydrophobicContact CD2-CB 4.42Å; F26-V60 HydrophobicContact CE2-CB 4.25Å; F26-V60 HydrophobicContact CE2-CG1 4.49Å; F26-V60 HydrophobicContact CE2-CG2 3.88Å; F26-V60 HydrophobicContact CZ-CG2 4.17Å
61	D	94.7	Very high	95.3	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	15%	0.148	C	C	.	.			trans	-72.9	160.2	177.9	78.4	-42.5	0	0	0	112.2	T63 T64 T65 M66 I101	D61-T63 PolarHBondContact O-N 3.07Å; D61-T63 PolarHBondContact OD2-N 3.2Å; D61-T63 PolarHBondContact OD2-OG1 3.12Å; D61-T64 PolarHBondContact O-N 2.97Å; D61-T64 WeakPolarHBondContact OD1-CA 3.34Å; D61-T64 PolarHBondContact OD1-N 3.36Å; D61-T65 PolarHBondContact OD1-N 3.49Å; D61-T65 PolarHBondContact OD2-OG1 3.36Å; D61-T65 VanDerWaalsContact OD2-OG1 3.04Å; D61-M66 HydrophobicContact CB-CB 4.16Å; D61-M66 HydrophobicContact CB-CE 4.48Å; D61-M66 PolarHBondContact N-O 2.9Å; D61-M66 PolarHBondContact OD1-N 2.89Å; D61-I101 HydrophobicContact CB-CD1 4.14Å; D61-I101 HydrophobicContact CB-CG2 4.09Å
62	W	91.5	Very high	95.4	Very high	158 Å²	158	29.8 Å²	29.8	60%	0.598	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.7	179.4	69.6	-73.4	0	0	0	114.2
63	T	93.9	Very high	95.4	Very high	61 Å²	61	25.3 Å²	25.3	37%	0.374	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.5	176.8	64.9	0	0	0	0	113.8	D61 T65	D61-T63 PolarHBondContact O-N 3.07Å; D61-T63 PolarHBondContact OD2-N 3.2Å; D61-T63 PolarHBondContact OD2-OG1 3.12Å; T63-T65 PolarHBondContact O-N 3.1Å; T63-T65 WeakPolarHBondContact OG1-CG2 3.38Å; T63-T65 PolarHBondContact OG1-OG1 3.17Å; T63-T65 VanDerWaalsContact OG1-OG1 3.06Å
64	T	94.7	Very high	95.5	Very high	18 Å²	18	31.3 Å²	31.3	11%	0.11	15%	0.153	C	C	.	.	S	Bend	trans	56.8	29.4	-177.7	-41.4	0	0	0	0	112.9	N19 L24 D61 V81	N19-T64 HydrophobicContact CB-CG2 3.68Å; N19-T64 WeakPolarHBondContact ND2-CG2 3.34Å; N19-T64 PolarHBondContact ND2-OG1 2.86Å; N19-T64 VanDerWaalsContact ND2-OG1 3.17Å; L24-T64 HydrophobicContact CD1-CG2 3.96Å; D61-T64 PolarHBondContact O-N 2.97Å; D61-T64 WeakPolarHBondContact OD1-CA 3.34Å; D61-T64 PolarHBondContact OD1-N 3.36Å; T64-V81 HydrophobicContact CG2-CG1 4.39Å; T64-V81 WeakPolarHBondContact O-CB 3.39Å
65	T	94.6	Very high	95.4	Very high	60 Å²	60	30.5 Å²	30.5	37%	0.368	15%	0.146	S	C	.	.	S	Bend	trans	-102.1	-24.1	178.4	64.3	0	0	0	0	112.4	D61 T63 V81	D61-T65 PolarHBondContact OD1-N 3.49Å; D61-T65 PolarHBondContact OD2-OG1 3.36Å; D61-T65 VanDerWaalsContact OD2-OG1 3.04Å; T63-T65 PolarHBondContact O-N 3.1Å; T63-T65 WeakPolarHBondContact OG1-CG2 3.38Å; T63-T65 PolarHBondContact OG1-OG1 3.17Å; T63-T65 VanDerWaalsContact OG1-OG1 3.06Å; T65-V81 PolarHBondContact O-N 3.22Å
66	M	94.6	Very high	95.3	Very high	14 Å²	14	30.6 Å²	30.6	7%	0.069	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.2	-169.6	-171.5	-178.4	79.1	0	0	110.7	D61 I78 W79 I101 I108 K127	D61-M66 HydrophobicContact CB-CB 4.16Å; D61-M66 HydrophobicContact CB-CE 4.48Å; D61-M66 PolarHBondContact N-O 2.9Å; D61-M66 PolarHBondContact OD1-N 2.89Å; M66-I78 HydrophobicContact CG-CG2 3.41Å; M66-I78 VanDerWaalsContact CG-CG2 3.41Å; M66-I78 HydrophobicContact SD-CG2 3.6Å; M66-I78 VanDerWaalsContact SD-CG2 3.6Å; M66-W79 WeakPolarHBondContact CA-O 3.47Å; M66-I101 HydrophobicContact CE-CB 4.3Å; M66-I101 HydrophobicContact CE-CD1 3.48Å; M66-I101 VanDerWaalsContact CE-CD1 3.48Å; M66-I101 HydrophobicContact CE-CG1 3.65Å; M66-I101 HydrophobicContact CE-CG2 3.63Å; M66-I108 HydrophobicContact CE-CG2 4.28Å; M66-K127 HydrophobicContact CE-CD 4.32Å; M66-K127 HydrophobicContact SD-CD 3.97Å
67	L	96.7	Very high	95.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.1	170.1	172.4	78.2	0	0	0	109	F26 V34 Y48 L58 T69 I78 W79 V81	F26-L67 HydrophobicContact CB-CD1 4.32Å; F26-L67 HydrophobicContact CD1-CD1 3.72Å; F26-L67 HydrophobicContact CD1-CD2 3.84Å; F26-L67 HydrophobicContact CD1-CG 4.32Å; F26-L67 HydrophobicContact CE1-CD1 4.2Å; F26-L67 HydrophobicContact CE1-CD2 4.16Å; F26-L67 HydrophobicContact CG-CD1 4.01Å; V34-L67 HydrophobicContact CG1-CD2 4.26Å; Y48-L67 HydrophobicContact CD2-CD2 3.69Å; Y48-L67 HydrophobicContact CE1-CD2 4.4Å; Y48-L67 HydrophobicContact CE2-CD2 3.33Å; Y48-L67 HydrophobicContact CG-CD2 4.35Å; L58-L67 HydrophobicContact CB-CD1 4.32Å; L67-T69 HydrophobicContact CD2-CG2 4.01Å; L67-T69 HydrophobicContact CG-CG2 4.03Å; L67-I78 CarbonylContact O-C 3.57Å; L67-I78 WeakPolarHBondContact O-CA 3.29Å; L67-W79 HydrophobicContact CB-CB 4.14Å; L67-W79 HydrophobicContact CD2-CB 4.49Å; L67-W79 HydrophobicContact CD2-CG 4.42Å; L67-W79 PolarHBondContact N-O 3.09Å; L67-W79 PolarHBondContact O-N 2.81Å; L67-V81 HydrophobicContact CB-CG2 3.93Å
68	L	96.6	Very high	95.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.9	174.8	-171.2	69	0	0	0	108.8	L58 D59 C76 K77 I78 C99 I101 I108	L58-L68 CarbonylContact C-O 3.58Å; L58-L68 VanDerWaalsContact CA-O 3.23Å; L58-L68 WeakPolarHBondContact CA-O 3.31Å; D59-L68 PolarHBondContact N-O 3.47Å; D59-L68 PolarHBondContact O-N 3.46Å; L68-C76 WeakPolarHBondContact CD1-SG 3.35Å; L68-K77 WeakPolarHBondContact CA-O 3.46Å; L68-I78 HydrophobicContact CD1-CD1 4.47Å; L68-I78 HydrophobicContact CD1-CG1 3.73Å; L68-C99 HydrophobicContact CD2-CB 3.62Å; L68-C99 HydrophobicContact CG-CB 3.89Å; L68-I101 HydrophobicContact CB-CD1 3.8Å; L68-I101 HydrophobicContact CB-CG1 3.84Å; L68-I101 HydrophobicContact CD2-CG1 3.9Å; L68-I108 HydrophobicContact CD1-CD1 4.35Å; L68-I108 HydrophobicContact CD2-CB 4.03Å; L68-I108 HydrophobicContact CD2-CG2 4.1Å
69	T	97.4	Very high	95.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.3	-178.2	56.3	0	0	0	0	111.3	V34 H51 L58 L67 C76 K77 W79	V34-T69 HydrophobicContact CG2-CG2 4.02Å; H51-T69 WeakPolarHBondContact NE2-CB 3.29Å; H51-T69 PolarHBondContact NE2-OG1 2.81Å; L58-T69 HydrophobicContact CB-CG2 4.32Å; L67-T69 HydrophobicContact CD2-CG2 4.01Å; L67-T69 HydrophobicContact CG-CG2 4.03Å; T69-C76 VanDerWaalsContact O-CA 3.25Å; T69-C76 WeakPolarHBondContact O-CA 3.29Å; T69-C76 PolarHBondContact O-SG 3.47Å; T69-C76 VanDerWaalsContact O-SG 3.37Å; T69-K77 PolarHBondContact N-O 3.4Å; T69-K77 PolarHBondContact O-N 3.13Å; T69-K77 PolarHBondContact OG1-O 2.94Å; T69-W79 PolarHBondContact OG1-NE1 3.39Å
70	A	96.4	Very high	95.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.2	177.5	0	0	0	0	0	110.4	V55 W56 W57 V96 C99	V55-A70 WeakPolarHBondContact CA-O 3.46Å; V55-A70 WeakPolarHBondContact CG1-O 3.17Å; W56-A70 PolarHBondContact N-O 3.32Å; W57-A70 HydrophobicContact CB-CB 3.91Å; W57-A70 PolarHBondContact N-O 2.85Å; W57-A70 PolarHBondContact O-N 3.16Å; A70-V96 HydrophobicContact CB-CB 4.09Å; A70-V96 HydrophobicContact CB-CG1 3.49Å; A70-V96 VanDerWaalsContact CB-CG1 3.49Å; A70-C99 HydrophobicContact CB-CB 4.04Å
71	S	96.7	Very high	95.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.2	-173.2	177.4	0	0	0	0	113.6	H51 A54 D73 W74 S75 V96	H51-S71 VanDerWaalsContact CE1-CB 3.43Å; H51-S71 WeakPolarHBondContact CE1-CB 3.45Å; H51-S71 WeakPolarHBondContact ND1-CB 3.33Å; A54-S71 WeakPolarHBondContact O-CA 3.47Å; A54-S71 PolarHBondContact O-OG 3.47Å; S71-D73 WeakPolarHBondContact CB-OD1 3.19Å; S71-D73 PolarHBondContact O-N 3.35Å; S71-D73 PolarHBondContact OG-N 3.37Å; S71-D73 PolarHBondContact OG-OD1 3.46Å; S71-D73 PolarHBondContact OG-OD2 3.23Å; S71-W74 PolarHBondContact O-N 3.17Å; S71-S75 PolarHBondContact N-O 3.01Å; S71-V96 PolarHBondContact O-N 2.87Å
72	A	95.2	Very high	95	Very high	28 Å²	28	37.5 Å²	37.5	23%	0.231	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.3	170.9	0	0	0	0	0	113.6	A54 W56 W74	A54-A72 HydrophobicContact CB-CB 4.22Å; A54-A72 PolarHBondContact O-N 2.87Å; W56-A72 HydrophobicContact CD2-CB 4.48Å; W56-A72 HydrophobicContact CH2-CB 4.14Å; W56-A72 HydrophobicContact CZ2-CB 3.75Å; A72-W74 PolarHBondContact O-N 3.15Å
73	D	93.8	Very high	95.1	Very high	39 Å²	39	33.6 Å²	33.6	21%	0.209	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	9.8	173	65.1	19.7	0	0	0	114.2	H51 D52 S71 S75	H51-D73 WeakPolarHBondContact CA-OD2 3.4Å; H51-D73 WeakPolarHBondContact CB-OD2 3.34Å; H51-D73 IonicContact CE1-OD2 2.75Å; H51-D73 IonicContact CG-OD2 3.63Å; H51-D73 IonicContact ND1-OD1 3.53Å; H51-D73 IonicContact ND1-OD2 3.45Å; H51-D73 PolarHBondContact ND1-OD2 2.77Å; D52-D73 HydrophobicContact CB-CB 4.2Å; D52-D73 PolarHBondContact N-OD2 2.61Å; S71-D73 WeakPolarHBondContact CB-OD1 3.19Å; S71-D73 PolarHBondContact O-N 3.35Å; S71-D73 PolarHBondContact OG-N 3.37Å; S71-D73 PolarHBondContact OG-OD1 3.46Å; S71-D73 PolarHBondContact OG-OD2 3.23Å; D73-S75 VanDerWaalsContact CG-OG 3.3Å; D73-S75 PolarHBondContact O-N 2.85Å; D73-S75 WeakPolarHBondContact OD1-CA 3.29Å; D73-S75 VanDerWaalsContact OD1-CB 3.3Å; D73-S75 WeakPolarHBondContact OD1-CB 3.4Å; D73-S75 PolarHBondContact OD1-N 3.04Å; D73-S75 PolarHBondContact OD1-OG 2.81Å
74	W	94.2	Very high	95	Very high	141 Å²	141	32 Å²	32	53%	0.534	17%	0.171	S	C	.	.	S	Bend	trans	70.1	15.3	178.3	-44.1	-4	0	0	0	113.2	S71 A72 T92	S71-W74 PolarHBondContact O-N 3.17Å; A72-W74 PolarHBondContact O-N 3.15Å; W74-T92 PolarHBondContact O-N 3.34Å; W74-T92 PolarHBondContact O-OG1 2.85Å
75	S	94.7	Very high	95	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.7	175.7	79.4	0	0	0	0	112.3	S71 D73 Y90	S71-S75 PolarHBondContact N-O 3.01Å; D73-S75 VanDerWaalsContact CG-OG 3.3Å; D73-S75 PolarHBondContact O-N 2.85Å; D73-S75 WeakPolarHBondContact OD1-CA 3.29Å; D73-S75 VanDerWaalsContact OD1-CB 3.3Å; D73-S75 WeakPolarHBondContact OD1-CB 3.4Å; D73-S75 PolarHBondContact OD1-N 3.04Å; D73-S75 PolarHBondContact OD1-OG 2.81Å; S75-Y90 CarbonylContact C-O 3.47Å; S75-Y90 WeakPolarHBondContact CA-O 3.25Å
76	C	94.9	Very high	94.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.2	163	-176.3	0	0	0	0	107.4	L68 T69 Y90 V96 I110	L68-C76 WeakPolarHBondContact CD1-SG 3.35Å; T69-C76 VanDerWaalsContact O-CA 3.25Å; T69-C76 WeakPolarHBondContact O-CA 3.29Å; T69-C76 PolarHBondContact O-SG 3.47Å; T69-C76 VanDerWaalsContact O-SG 3.37Å; C76-Y90 PolarHBondContact N-O 2.78Å; C76-Y90 PolarHBondContact O-N 2.86Å; C76-V96 HydrophobicContact CB-CG1 4.38Å; C76-V96 HydrophobicContact CB-CG2 4.28Å; C76-I110 HydrophobicContact CB-CD1 3.67Å; C76-I110 HydrophobicContact CB-CG1 4.32Å; C76-I110 HydrophobicContact CB-CG2 4.47Å
77	K	95.3	Very high	94.8	Very high	25 Å²	25	40 Å²	40	11%	0.109	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.3	-177.6	-68.6	-172.4	179.7	-149.6	0	110.4	Q50 L68 T69 W79 T89	Q50-K77 PolarHBondContact O-NZ 3.42Å; L68-K77 WeakPolarHBondContact CA-O 3.46Å; T69-K77 PolarHBondContact N-O 3.4Å; T69-K77 PolarHBondContact O-N 3.13Å; T69-K77 PolarHBondContact OG1-O 2.94Å; K77-W79 HydrophobicContact CB-CZ2 3.89Å; K77-W79 HydrophobicContact CD-CH2 4.23Å; K77-W79 HydrophobicContact CD-CZ2 3.68Å; K77-W79 HydrophobicContact CG-CZ2 4.4Å; K77-T89 HydrophobicContact CG-CG2 4.09Å
78	I	95.3	Very high	94.6	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.2	170.9	-50.2	-173.7	0	0	0	106.9	M66 L67 L68 S86 T87 N88 I108 M133	M66-I78 HydrophobicContact CG-CG2 3.41Å; M66-I78 VanDerWaalsContact CG-CG2 3.41Å; M66-I78 HydrophobicContact SD-CG2 3.6Å; M66-I78 VanDerWaalsContact SD-CG2 3.6Å; L67-I78 CarbonylContact O-C 3.57Å; L67-I78 WeakPolarHBondContact O-CA 3.29Å; L68-I78 HydrophobicContact CD1-CD1 4.47Å; L68-I78 HydrophobicContact CD1-CG1 3.73Å; I78-S86 CarbonylContact O-C 3.58Å; I78-S86 VanDerWaalsContact O-CA 3.32Å; I78-S86 WeakPolarHBondContact O-CA 3.1Å; I78-T87 WeakPolarHBondContact CG2-OG1 3.48Å; I78-T87 PolarHBondContact O-N 3.14Å; I78-T87 PolarHBondContact O-OG1 2.89Å; I78-N88 HydrophobicContact CB-CB 4.23Å; I78-N88 HydrophobicContact CD1-CB 4.1Å; I78-N88 HydrophobicContact CG1-CB 4.23Å; I78-N88 PolarHBondContact N-O 2.88Å; I78-N88 PolarHBondContact O-N 2.74Å; I78-I108 HydrophobicContact CD1-CD1 4.15Å; I78-M133 HydrophobicContact CD1-SD 3.76Å
79	W	95.6	Very high	94.4	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.3	-176.8	-51.9	85.1	0	0	0	110.1	Y48 Q50 H51 M66 L67 T69 K77 K85	Y48-W79 HydrophobicContact CD1-CB 4.22Å; Y48-W79 AromaticContact CD1-CD2 3.89Å; Y48-W79 HydrophobicContact CD1-CD2 3.89Å; Y48-W79 AromaticContact CD1-CE3 3.56Å; Y48-W79 HydrophobicContact CD1-CE3 3.56Å; Y48-W79 HydrophobicContact CD1-CG 4.18Å; Y48-W79 HydrophobicContact CD1-CZ3 4.1Å; Y48-W79 HydrophobicContact CE1-CB 4.07Å; Y48-W79 HydrophobicContact CE1-CE3 4.42Å; Y48-W79 HydrophobicContact CE1-CG 4.49Å; Y48-W79 HydrophobicContact CG-CD2 4.31Å; Y48-W79 HydrophobicContact CG-CE3 4.2Å; Y48-W79 HydrophobicContact CG-CZ3 4.48Å; Q50-W79 HydrophobicContact CB-CH2 3.45Å; Q50-W79 VanDerWaalsContact CB-CH2 3.45Å; Q50-W79 HydrophobicContact CB-CZ2 4.41Å; Q50-W79 HydrophobicContact CB-CZ3 4.07Å; Q50-W79 HydrophobicContact CG-CH2 3.55Å; Q50-W79 HydrophobicContact CG-CZ3 3.62Å; H51-W79 AromaticContact CD2-CZ2 3.85Å; H51-W79 AromaticContact NE2-CZ2 3.98Å; M66-W79 WeakPolarHBondContact CA-O 3.47Å; L67-W79 HydrophobicContact CB-CB 4.14Å; L67-W79 HydrophobicContact CD2-CB 4.49Å; L67-W79 HydrophobicContact CD2-CG 4.42Å; L67-W79 PolarHBondContact N-O 3.09Å; L67-W79 PolarHBondContact O-N 2.81Å; T69-W79 PolarHBondContact OG1-NE1 3.39Å; K77-W79 HydrophobicContact CB-CZ2 3.89Å; K77-W79 HydrophobicContact CD-CH2 4.23Å; K77-W79 HydrophobicContact CD-CZ2 3.68Å; K77-W79 HydrophobicContact CG-CZ2 4.4Å; W79-K85 WeakPolarHBondContact CA-O 3.43Å
80	D	95.3	Very high	94.2	Very high	42 Å²	42	46.8 Å²	46.8	23%	0.225	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120.9	161.9	173.4	4.1	0	0	0	108.4	E82 T83 G84 K85 T87	D80-E82 VanDerWaalsContact C-N 3.35Å; D80-E82 PolarHBondContact OD1-N 2.88Å; D80-T83 WeakPolarHBondContact CB-OG1 3.28Å; D80-T83 WeakPolarHBondContact OD2-CB 3.26Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.45Å; D80-T83 PolarHBondContact OD2-OG1 2.83Å; D80-G84 PolarHBondContact O-N 3.04Å; D80-K85 PolarHBondContact N-O 2.9Å; D80-T87 HydrophobicContact CB-CG2 3.87Å
81	V	95.2	Very high	94	Very high	14 Å²	14	51 Å²	51	9%	0.085	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-39.2	-175.5	174.4	0	0	0	0	111.2	L24 F26 Y48 T64 T65 L67	L24-V81 HydrophobicContact CD1-CG1 4.47Å; F26-V81 HydrophobicContact CE1-CG1 4.2Å; F26-V81 HydrophobicContact CE1-CG2 4.33Å; F26-V81 HydrophobicContact CZ-CG1 3.85Å; F26-V81 HydrophobicContact CZ-CG2 4.18Å; Y48-V81 WeakPolarHBondContact OH-CA 3.41Å; Y48-V81 PolarHBondContact OH-O 2.8Å; T64-V81 HydrophobicContact CG2-CG1 4.39Å; T64-V81 WeakPolarHBondContact O-CB 3.39Å; T65-V81 PolarHBondContact O-N 3.22Å; L67-V81 HydrophobicContact CB-CG2 3.93Å
82	E	93	Very high	93.8	Very high	170 Å²	170	52 Å²	52	79%	0.794	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-40.6	-176.2	-64.8	-175	173.7	0	0	111.8	D80	D80-E82 VanDerWaalsContact C-N 3.35Å; D80-E82 PolarHBondContact OD1-N 2.88Å
83	T	93.6	Very high	93.5	Very high	75 Å²	75	52.5 Å²	52.5	46%	0.46	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-14.8	-172.8	65.5	0	0	0	0	114.4	D80 K85	D80-T83 WeakPolarHBondContact CB-OG1 3.28Å; D80-T83 WeakPolarHBondContact OD2-CB 3.26Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.45Å; D80-T83 PolarHBondContact OD2-OG1 2.83Å; T83-K85 PolarHBondContact O-N 2.9Å
84	G	92	Very high	93.4	Very high	28 Å²	28	50.8 Å²	50.8	29%	0.289	27%	0.27	S	S	.	.			trans	76.3	3.3	-176	0	0	0	0	0	114.2	D80	D80-G84 PolarHBondContact O-N 3.04Å
85	K	93.5	Very high	93.4	Very high	141 Å²	141	44.8 Å²	44.8	61%	0.613	25%	0.249	S	C	*	.			trans	-98.2	141.3	-171.8	-66.9	180	-178.4	174.9	0	111.6	W79 D80 T83 T87	W79-K85 WeakPolarHBondContact CA-O 3.43Å; D80-K85 PolarHBondContact N-O 2.9Å; T83-K85 PolarHBondContact O-N 2.9Å; K85-T87 PolarHBondContact O-N 3.03Å
86	S	93.5	Very high	93.5	Very high	37 Å²	37	44.5 Å²	44.5	26%	0.259	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	124.2	168.5	67.2	0	0	0	0	110	Q50 I78	Q50-S86 PolarHBondContact NE2-OG 3.1Å; Q50-S86 PolarHBondContact OE1-OG 3.33Å; I78-S86 CarbonylContact O-C 3.58Å; I78-S86 VanDerWaalsContact O-CA 3.32Å; I78-S86 WeakPolarHBondContact O-CA 3.1Å
87	T	91.9	Very high	93.5	Very high	81 Å²	81	48 Å²	48	50%	0.497	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-43.8	174	53.8	0	0	0	0	111	I78 D80 K85	I78-T87 WeakPolarHBondContact CG2-OG1 3.48Å; I78-T87 PolarHBondContact O-N 3.14Å; I78-T87 PolarHBondContact O-OG1 2.89Å; D80-T87 HydrophobicContact CB-CG2 3.87Å; K85-T87 PolarHBondContact O-N 3.03Å
88	N	91.9	Very high	93.5	Very high	67 Å²	67	46.9 Å²	46.9	36%	0.358	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152.9	-179.6	-80.3	-21	0	0	0	111.6	I78	I78-N88 HydrophobicContact CB-CB 4.23Å; I78-N88 HydrophobicContact CD1-CB 4.1Å; I78-N88 HydrophobicContact CG1-CB 4.23Å; I78-N88 PolarHBondContact N-O 2.88Å; I78-N88 PolarHBondContact O-N 2.74Å
89	T	93	Very high	93.6	Very high	49 Å²	49	46.4 Å²	46.4	30%	0.301	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.6	172.3	-60	0	0	0	0	109.3	K77 N91 Q135	K77-T89 HydrophobicContact CG-CG2 4.09Å; T89-N91 WeakPolarHBondContact CG2-OD1 3.18Å; T89-Q135 PolarHBondContact O-NE2 3.02Å
90	Y	92.7	Very high	93.6	Very high	28 Å²	28	46.4 Å²	46.4	11%	0.11	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	111.5	176.4	-169.7	-86	0	0	0	109.3	S75 C76 T92 I110 I123 L125 Q135	S75-Y90 CarbonylContact C-O 3.47Å; S75-Y90 WeakPolarHBondContact CA-O 3.25Å; C76-Y90 PolarHBondContact N-O 2.78Å; C76-Y90 PolarHBondContact O-N 2.86Å; Y90-T92 HydrophobicContact CD1-CG2 3.8Å; Y90-T92 HydrophobicContact CE1-CG2 3.68Å; Y90-I110 HydrophobicContact CD1-CD1 3.58Å; Y90-I110 HydrophobicContact CE1-CD1 4.12Å; Y90-I110 HydrophobicContact CG-CD1 3.97Å; Y90-I123 HydrophobicContact CE1-CD1 4.28Å; Y90-L125 HydrophobicContact CD1-CD1 4.35Å; Y90-L125 HydrophobicContact CD2-CD1 3.56Å; Y90-L125 HydrophobicContact CE1-CD1 4.28Å; Y90-L125 HydrophobicContact CE2-CD1 3.47Å; Y90-L125 VanDerWaalsContact CE2-CD1 3.47Å; Y90-L125 HydrophobicContact CE2-CD2 3.75Å; Y90-L125 HydrophobicContact CE2-CG 4.27Å; Y90-L125 HydrophobicContact CG-CD1 4.02Å; Y90-Q135 HydrophobicContact CD2-CG 3.48Å; Y90-Q135 VanDerWaalsContact CD2-CG 3.48Å; Y90-Q135 HydrophobicContact CE2-CB 4.2Å; Y90-Q135 HydrophobicContact CE2-CG 3.49Å; Y90-Q135 VanDerWaalsContact CE2-CG 3.49Å; Y90-Q135 HydrophobicContact CG-CG 4.12Å
91	N	93.3	Very high	93.6	Very high	89 Å²	89	44.9 Å²	44.9	48%	0.476	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	139.8	-179.5	-63.5	-37.1	0	0	0	110	T89 Q135	T89-N91 WeakPolarHBondContact CG2-OD1 3.18Å; N91-Q135 PolarHBondContact O-OE1 3.31Å
92	T	91	Very high	93.5	Very high	20 Å²	20	44.4 Å²	44.4	12%	0.123	24%	0.242	C	C	.	.			trans	-122.3	165.9	178.8	52	0	0	0	0	110	W74 Y90 N94 V96 I110 T112 I123	W74-T92 PolarHBondContact O-N 3.34Å; W74-T92 PolarHBondContact O-OG1 2.85Å; Y90-T92 HydrophobicContact CD1-CG2 3.8Å; Y90-T92 HydrophobicContact CE1-CG2 3.68Å; T92-N94 VanDerWaalsContact C-N 3.3Å; T92-N94 PolarHBondContact OG1-O 3.49Å; T92-V96 HydrophobicContact CG2-CG2 4.15Å; T92-V96 VanDerWaalsContact OG1-CG2 3.26Å; T92-V96 WeakPolarHBondContact OG1-CG2 3.35Å; T92-I110 HydrophobicContact CG2-CG2 4.47Å; T92-T112 HydrophobicContact CG2-CG2 4.03Å; T92-I123 HydrophobicContact CG2-CD1 4.26Å
93	A	90	Very high	93.4	Very high	38 Å²	38	41.9 Å²	41.9	31%	0.314	23%	0.226	S	C	.	.	S	Bend	trans	-84.4	-7.4	-179.9	0	0	0	0	0	114	K118	A93-K118 HydrophobicContact CB-CD 3.8Å
94	N	92.4	Very high	93.2	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	22%	0.222	C	C	.	.	S	Bend	trans	-135.9	160.6	-178.9	-81.6	-7	0	0	0	108.1	T92 T112 D113 T115 K118 N119	T92-N94 VanDerWaalsContact C-N 3.3Å; T92-N94 PolarHBondContact OG1-O 3.49Å; N94-T112 HydrophobicContact CB-CG2 4.4Å; N94-D113 WeakPolarHBondContact CB-O 3.23Å; N94-D113 PolarHBondContact ND2-O 3.47Å; N94-T115 HydrophobicContact CB-CG2 4.11Å; N94-T115 WeakPolarHBondContact OD1-CG2 3.38Å; N94-T115 PolarHBondContact OD1-OG1 2.62Å; N94-K118 WeakPolarHBondContact ND2-CB 3.36Å; N94-K118 PolarHBondContact ND2-O 2.83Å; N94-N119 PolarHBondContact ND2-O 2.95Å
95	P	94.4	Very high	93.1	Very high	16 Å²	16	39.6 Å²	39.6	10%	0.104	21%	0.209	C	C	.	.			trans	-50.3	142.5	169.8	-27.1	35.4	0	0	0	112.4	W56 T112 D113 T115	W56-P95 HydrophobicContact CH2-CB 3.77Å; W56-P95 HydrophobicContact CZ3-CB 3.64Å; P95-T112 CarbonylContact O-C 3.57Å; P95-T112 VanDerWaalsContact O-CA 3.27Å; P95-T112 WeakPolarHBondContact O-CA 3.48Å; P95-D113 HydrophobicContact CB-CB 4.11Å; P95-D113 PolarHBondContact O-N 3.48Å; P95-T115 HydrophobicContact CG-CG2 4.2Å
96	V	95.5	Very high	93	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119	177.6	-176	0	0	0	0	109	W56 A70 S71 C76 T92 I110 T111	W56-V96 VanDerWaalsContact CE3-O 3.22Å; A70-V96 HydrophobicContact CB-CB 4.09Å; A70-V96 HydrophobicContact CB-CG1 3.49Å; A70-V96 VanDerWaalsContact CB-CG1 3.49Å; S71-V96 PolarHBondContact O-N 2.87Å; C76-V96 HydrophobicContact CB-CG1 4.38Å; C76-V96 HydrophobicContact CB-CG2 4.28Å; T92-V96 HydrophobicContact CG2-CG2 4.15Å; T92-V96 VanDerWaalsContact OG1-CG2 3.26Å; T92-V96 WeakPolarHBondContact OG1-CG2 3.35Å; V96-I110 HydrophobicContact CB-CG2 4.43Å; V96-I110 HydrophobicContact CG1-CG2 3.4Å; V96-I110 HydrophobicContact CG2-CG2 4.17Å; V96-T111 CarbonylContact C-O 3.6Å
97	R	95.2	Very high	93	Very high	75 Å²	75	34.5 Å²	34.5	28%	0.283	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-50.7	-175.9	-172.1	53.6	-175.9	-161.9	2	113.8	W56 T111 D113 V150	W56-R97 HydrophobicContact CE3-CB 4.45Å; R97-T111 PolarHBondContact N-O 3.04Å; R97-D113 HydrophobicContact CB-CB 4.4Å; R97-V150 WeakPolarHBondContact CG-O 3.39Å
98	T	95.7	Very high	93.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	157.3	179.6	75.8	0	0	0	0	110.7	W57 T111 T151 A153	W57-T98 HydrophobicContact CD2-CG2 4.15Å; W57-T98 HydrophobicContact CE3-CG2 4.05Å; W57-T98 HydrophobicContact CZ3-CG2 4.38Å; T98-T111 WeakPolarHBondContact CB-OG1 3.38Å; T98-T111 PolarHBondContact N-O 2.84Å; T98-T111 PolarHBondContact N-OG1 2.54Å; T98-T111 VanDerWaalsContact N-OG1 3.14Å; T98-T111 PolarHBondContact O-N 3.09Å; T98-T111 VanDerWaalsContact OG1-CG2 3.29Å; T98-T111 WeakPolarHBondContact OG1-CG2 3.14Å; T98-T111 PolarHBondContact OG1-OG1 3.4Å; T98-T151 WeakPolarHBondContact CG2-O 3.49Å; T98-A153 WeakPolarHBondContact OG1-CB 3.45Å
99	C	96.1	Very high	93.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.4	175	61.9	0	0	0	0	109	W57 L68 A70 F109	W57-C99 PolarHBondContact NE1-O 2.77Å; L68-C99 HydrophobicContact CD2-CB 3.62Å; L68-C99 HydrophobicContact CG-CB 3.89Å; A70-C99 HydrophobicContact CB-CB 4.04Å; C99-F109 VanDerWaalsContact C-CE2 3.42Å; C99-F109 WeakPolarHBondContact CA-O 3.44Å
100	G	96.1	Very high	93.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	145.7	173.1	0	0	0	0	0	113.1	D59 I108 F109 W155	D59-G100 WeakPolarHBondContact OD2-CA 3.23Å; G100-I108 CarbonylContact O-C 3.49Å; G100-I108 VanDerWaalsContact O-CA 3.27Å; G100-I108 WeakPolarHBondContact O-CA 3.38Å; G100-F109 VanDerWaalsContact CA-CE1 3.5Å; G100-F109 VanDerWaalsContact CA-CZ 3.49Å; G100-F109 PolarHBondContact N-O 2.88Å; G100-F109 VanDerWaalsContact N-O 3.13Å; G100-F109 PolarHBondContact O-N 3.46Å; G100-W155 VanDerWaalsContact C-NE1 3.29Å; G100-W155 PolarHBondContact O-NE1 3.09Å
101	I	95.5	Very high	93.6	Very high	11 Å²	11	23.9 Å²	23.9	6%	0.056	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.7	-179.9	-56.2	164.2	0	0	0	107.8	D59 D61 M66 L68 I108 W155	D59-I101 HydrophobicContact CB-CG1 4.49Å; D59-I101 WeakPolarHBondContact O-CD1 3.34Å; D59-I101 PolarHBondContact OD2-N 3.19Å; D61-I101 HydrophobicContact CB-CD1 4.14Å; D61-I101 HydrophobicContact CB-CG2 4.09Å; M66-I101 HydrophobicContact CE-CB 4.3Å; M66-I101 HydrophobicContact CE-CD1 3.48Å; M66-I101 VanDerWaalsContact CE-CD1 3.48Å; M66-I101 HydrophobicContact CE-CG1 3.65Å; M66-I101 HydrophobicContact CE-CG2 3.63Å; L68-I101 HydrophobicContact CB-CD1 3.8Å; L68-I101 HydrophobicContact CB-CG1 3.84Å; L68-I101 HydrophobicContact CD2-CG1 3.9Å; I101-I108 HydrophobicContact CG1-CG2 4.24Å; I101-W155 PolarHBondContact O-NE1 2.69Å
102	S	94.1	Very high	93.7	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.021	10%	0.103	C	C	.	.			trans	-68.9	157.2	179.7	76.1	0	0	0	0	111	C104 G105 L107 W155 N159	S102-C104 PolarHBondContact O-N 3.47Å; S102-C104 VanDerWaalsContact O-N 3.09Å; S102-C104 PolarHBondContact OG-SG 3.04Å; S102-G105 WeakPolarHBondContact O-CA 3.24Å; S102-G105 PolarHBondContact O-N 3.48Å; S102-L107 WeakPolarHBondContact CB-O 3.34Å; S102-L107 PolarHBondContact N-O 3.06Å; S102-L107 WeakPolarHBondContact OG-CB 3.37Å; S102-L107 PolarHBondContact OG-N 3.07Å; S102-L107 VanDerWaalsContact OG-N 3.08Å; S102-L107 PolarHBondContact OG-O 2.93Å; S102-W155 VanDerWaalsContact N-NE1 3.17Å; S102-N159 WeakPolarHBondContact CB-OD1 3.35Å
103	Y	89.8	Confident	93.7	Very high	117 Å²	117	20.2 Å²	20.2	46%	0.459	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.8	179	-62.3	-73.3	0	0	0	113.7	G105 W155 N159 M197	Y103-G105 VanDerWaalsContact C-N 3.27Å; Y103-W155 HydrophobicContact CD2-CB 4.41Å; Y103-W155 HydrophobicContact CE2-CB 3.95Å; Y103-N159 WeakPolarHBondContact CB-OD1 3.44Å; Y103-N159 WeakPolarHBondContact CD2-OD1 3.45Å; Y103-N159 PolarHBondContact N-OD1 2.95Å; Y103-M197 WeakPolarHBondContact OH-CG 3.35Å
104	C	88.7	Confident	93.7	Very high	55 Å²	55	20.5 Å²	20.5	37%	0.372	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-3.7	172.8	68.5	0	0	0	0	113.2	S102 N106 N159	S102-C104 PolarHBondContact O-N 3.47Å; S102-C104 VanDerWaalsContact O-N 3.09Å; S102-C104 PolarHBondContact OG-SG 3.04Å; C104-N106 PolarHBondContact O-N 2.79Å; C104-N106 PolarHBondContact O-ND2 2.65Å; C104-N159 PolarHBondContact N-ND2 3.4Å
105	G	90.4	Very high	93.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	12%	0.118	C	C	.	.	S	Bend	trans	75.4	-8.3	-179.2	0	0	0	0	0	114.9	S102 Y103 K127	S102-G105 WeakPolarHBondContact O-CA 3.24Å; S102-G105 PolarHBondContact O-N 3.48Å; Y103-G105 VanDerWaalsContact C-N 3.27Å; G105-K127 WeakPolarHBondContact O-CD 3.48Å; G105-K127 WeakPolarHBondContact O-CE 3.26Å; G105-K127 PolarHBondContact O-NZ 2.89Å
106	N	92	Very high	92.5	Very high	42 Å²	42	26 Å²	26	23%	0.225	15%	0.149	C	C	.	.	S	Bend	trans	-97.4	-28.4	-170.3	-67.1	-45.9	0	0	0	114.8	C104 K127 R128	C104-N106 PolarHBondContact O-N 2.79Å; C104-N106 PolarHBondContact O-ND2 2.65Å; N106-K127 WeakPolarHBondContact O-CG 3.15Å; N106-K127 PolarHBondContact O-N 3.35Å; N106-K127 WeakPolarHBondContact OD1-CE 3.37Å; N106-R128 HydrophobicContact CB-CG 4.38Å
107	L	94	Very high	91.8	Very high	28 Å²	28	35.3 Å²	35.3	15%	0.147	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	144.9	179.5	-52.4	177.4	0	0	0	108.7	S102 L125 D126 I139 W155 V176	S102-L107 WeakPolarHBondContact CB-O 3.34Å; S102-L107 PolarHBondContact N-O 3.06Å; S102-L107 WeakPolarHBondContact OG-CB 3.37Å; S102-L107 PolarHBondContact OG-N 3.07Å; S102-L107 VanDerWaalsContact OG-N 3.08Å; S102-L107 PolarHBondContact OG-O 2.93Å; L107-L125 CarbonylContact C-O 3.45Å; L107-L125 WeakPolarHBondContact CA-O 3.38Å; L107-D126 HydrophobicContact CD2-CB 3.89Å; L107-I139 HydrophobicContact CD2-CD1 3.71Å; L107-W155 HydrophobicContact CB-CH2 3.81Å; L107-W155 HydrophobicContact CB-CZ2 3.94Å; L107-W155 HydrophobicContact CD1-CH2 4.28Å; L107-V176 HydrophobicContact CD1-CG1 4.33Å
108	I	95.1	Very high	91.2	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.5	172.2	64.2	176.8	0	0	0	108.5	M66 L68 I78 G100 I101 A124 L125 M133	M66-I108 HydrophobicContact CE-CG2 4.28Å; L68-I108 HydrophobicContact CD1-CD1 4.35Å; L68-I108 HydrophobicContact CD2-CB 4.03Å; L68-I108 HydrophobicContact CD2-CG2 4.1Å; I78-I108 HydrophobicContact CD1-CD1 4.15Å; G100-I108 CarbonylContact O-C 3.49Å; G100-I108 VanDerWaalsContact O-CA 3.27Å; G100-I108 WeakPolarHBondContact O-CA 3.38Å; I101-I108 HydrophobicContact CG1-CG2 4.24Å; I108-A124 WeakPolarHBondContact O-CA 3.44Å; I108-L125 HydrophobicContact CD1-CB 4.18Å; I108-L125 HydrophobicContact CD1-CD1 3.92Å; I108-L125 HydrophobicContact CG1-CB 3.68Å; I108-L125 HydrophobicContact CG1-CD1 4.14Å; I108-L125 HydrophobicContact CG1-CG 4.37Å; I108-L125 PolarHBondContact N-O 2.79Å; I108-L125 PolarHBondContact O-N 3.01Å; I108-M133 HydrophobicContact CD1-CE 3.95Å
109	F	95.5	Very high	90.9	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	155.8	165	74.6	-104.7	0	0	0	110.3	C99 G100 T111 I123 A153 W155 I162	C99-F109 VanDerWaalsContact C-CE2 3.42Å; C99-F109 WeakPolarHBondContact CA-O 3.44Å; G100-F109 VanDerWaalsContact CA-CE1 3.5Å; G100-F109 VanDerWaalsContact CA-CZ 3.49Å; G100-F109 PolarHBondContact N-O 2.88Å; G100-F109 VanDerWaalsContact N-O 3.13Å; G100-F109 PolarHBondContact O-N 3.46Å; F109-T111 HydrophobicContact CD2-CG2 4.17Å; F109-T111 HydrophobicContact CE2-CG2 4.43Å; F109-I123 CarbonylContact C-O 3.53Å; F109-I123 VanDerWaalsContact CA-O 3.24Å; F109-I123 WeakPolarHBondContact CA-O 3.29Å; F109-A153 HydrophobicContact CD2-CB 4.31Å; F109-A153 HydrophobicContact CE2-CB 3.59Å; F109-A153 HydrophobicContact CZ-CB 3.89Å; F109-A153 WeakPolarHBondContact CZ-O 3.41Å; F109-W155 HydrophobicContact CB-CZ2 4.22Å; F109-W155 AromaticContact CD1-CD1 3.7Å; F109-W155 HydrophobicContact CD1-CD2 4.02Å; F109-W155 AromaticContact CD1-CE2 3.45Å; F109-W155 VanDerWaalsContact CD1-CE2 3.45Å; F109-W155 HydrophobicContact CD1-CG 4.16Å; F109-W155 AromaticContact CD1-CZ2 3.9Å; F109-W155 HydrophobicContact CD1-CZ2 3.9Å; F109-W155 AromaticContact CD1-NE1 3.2Å; F109-W155 AromaticContact CE1-CD1 3.46Å; F109-W155 VanDerWaalsContact CE1-CD1 3.46Å; F109-W155 HydrophobicContact CE1-CD2 4.38Å; F109-W155 HydrophobicContact CE1-CG 4.03Å; F109-W155 AromaticContact CE1-NE1 3.45Å; F109-I162 HydrophobicContact CB-CD1 3.62Å; F109-I162 HydrophobicContact CB-CG1 4.27Å; F109-I162 HydrophobicContact CD1-CD1 4.29Å; F109-I162 HydrophobicContact CD1-CG1 4Å; F109-I162 HydrophobicContact CD1-CG2 4.1Å; F109-I162 HydrophobicContact CE1-CG2 4.45Å; F109-I162 HydrophobicContact CG-CD1 4.2Å; F109-I162 HydrophobicContact CG-CG1 4.35Å; F109-I162 HydrophobicContact CG-CG2 4.21Å
110	I	95.8	Very high	90.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	131.7	176.5	-59	178.3	0	0	0	106.7	C76 Y90 T92 V96 I123 L125	C76-I110 HydrophobicContact CB-CD1 3.67Å; C76-I110 HydrophobicContact CB-CG1 4.32Å; C76-I110 HydrophobicContact CB-CG2 4.47Å; Y90-I110 HydrophobicContact CD1-CD1 3.58Å; Y90-I110 HydrophobicContact CE1-CD1 4.12Å; Y90-I110 HydrophobicContact CG-CD1 3.97Å; T92-I110 HydrophobicContact CG2-CG2 4.47Å; V96-I110 HydrophobicContact CB-CG2 4.43Å; V96-I110 HydrophobicContact CG1-CG2 3.4Å; V96-I110 HydrophobicContact CG2-CG2 4.17Å; I110-I123 HydrophobicContact CB-CB 4.47Å; I110-I123 PolarHBondContact N-O 2.75Å; I110-I123 PolarHBondContact O-N 2.88Å; I110-L125 HydrophobicContact CD1-CD1 3.7Å; I110-L125 HydrophobicContact CG1-CD1 4.48Å
111	T	95.4	Very high	90.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.9	169.1	75	0	0	0	0	109.3	V96 R97 T98 F109 E121 V122 V150 A153	V96-T111 CarbonylContact C-O 3.6Å; R97-T111 PolarHBondContact N-O 3.04Å; T98-T111 WeakPolarHBondContact CB-OG1 3.38Å; T98-T111 PolarHBondContact N-O 2.84Å; T98-T111 PolarHBondContact N-OG1 2.54Å; T98-T111 VanDerWaalsContact N-OG1 3.14Å; T98-T111 PolarHBondContact O-N 3.09Å; T98-T111 VanDerWaalsContact OG1-CG2 3.29Å; T98-T111 WeakPolarHBondContact OG1-CG2 3.14Å; T98-T111 PolarHBondContact OG1-OG1 3.4Å; F109-T111 HydrophobicContact CD2-CG2 4.17Å; F109-T111 HydrophobicContact CE2-CG2 4.43Å; T111-E121 CarbonylContact C-O 3.52Å; T111-E121 WeakPolarHBondContact CA-O 3.25Å; T111-V122 HydrophobicContact CG2-CG1 4.3Å; T111-V122 HydrophobicContact CG2-CG2 4.16Å; T111-V150 HydrophobicContact CG2-CB 4.48Å; T111-V150 HydrophobicContact CG2-CG1 3.91Å; T111-A153 HydrophobicContact CG2-CB 3.94Å
112	T	94.9	Very high	90.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	155.9	176.1	62.5	0	0	0	0	111	T92 N94 P95 C120 E121	T92-T112 HydrophobicContact CG2-CG2 4.03Å; N94-T112 HydrophobicContact CB-CG2 4.4Å; P95-T112 CarbonylContact O-C 3.57Å; P95-T112 VanDerWaalsContact O-CA 3.27Å; P95-T112 WeakPolarHBondContact O-CA 3.48Å; T112-C120 PolarHBondContact O-SG 3.14Å; T112-E121 PolarHBondContact N-O 3.03Å; T112-E121 WeakPolarHBondContact OG1-CB 3.08Å; T112-E121 PolarHBondContact OG1-N 2.66Å; T112-E121 PolarHBondContact OG1-O 3.46Å
113	D	92.2	Very high	90.5	Very high	31 Å²	31	42.1 Å²	42.1	17%	0.166	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-79.7	161.3	170.7	-157.8	2.1	0	0	0	110.7	W56 N94 P95 R97 K149	W56-D113 HydrophobicContact CZ3-CB 4.16Å; N94-D113 WeakPolarHBondContact CB-O 3.23Å; N94-D113 PolarHBondContact ND2-O 3.47Å; P95-D113 HydrophobicContact CB-CB 4.11Å; P95-D113 PolarHBondContact O-N 3.48Å; R97-D113 HydrophobicContact CB-CB 4.4Å; D113-K149 WeakPolarHBondContact OD1-CD 3.24Å
114	D	88.6	Confident	90.7	Very high	45 Å²	45	36.6 Å²	36.6	24%	0.241	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-90.6	120	171.3	-176.6	2.8	0	0	0	110.1	G116 C120 K149	D114-G116 WeakPolarHBondContact OD1-CA 3.47Å; D114-G116 PolarHBondContact OD1-N 3.14Å; D114-C120 HydrophobicContact CB-CB 4.45Å; D114-K149 HydrophobicContact CB-CD 3.93Å; D114-K149 HydrophobicContact CB-CG 3.73Å
115	T	82.4	Confident	91	Very high	62 Å²	62	34 Å²	34	38%	0.38	19%	0.186	S	C	.	.			trans	-94.7	5.5	179.5	58.8	0	0	0	0	113.1	N94 P95 K117	N94-T115 HydrophobicContact CB-CG2 4.11Å; N94-T115 WeakPolarHBondContact OD1-CG2 3.38Å; N94-T115 PolarHBondContact OD1-OG1 2.62Å; P95-T115 HydrophobicContact CG-CG2 4.2Å; T115-K117 PolarHBondContact O-N 2.82Å; T115-K117 VanDerWaalsContact O-N 3.09Å
116	G	80	Confident	91.1	Very high	72 Å²	72	35 Å²	35	74%	0.742	19%	0.191	S	C	*	.	S	Bend	trans	74.4	-18.3	-172	0	0	0	0	0	113.9	D114	D114-G116 WeakPolarHBondContact OD1-CA 3.47Å; D114-G116 PolarHBondContact OD1-N 3.14Å
117	K	79.5	Confident	91	Very high	196 Å²	196	36 Å²	36	85%	0.852	19%	0.193	S	C	*	.	S	Bend	trans	-92.7	-30.3	173.5	-66.9	-176.7	-178.9	176.9	0	112.7	T115	T115-K117 PolarHBondContact O-N 2.82Å; T115-K117 VanDerWaalsContact O-N 3.09Å
118	K	84.3	Confident	90.8	Very high	104 Å²	104	42.6 Å²	42.6	45%	0.452	22%	0.216	S	C	.	.	S	Bend	trans	-140.5	129.9	-179.7	-74.1	-173.5	175.9	-173.2	0	108.5	A93 N94	A93-K118 HydrophobicContact CB-CD 3.8Å; N94-K118 WeakPolarHBondContact ND2-CB 3.36Å; N94-K118 PolarHBondContact ND2-O 2.83Å
119	N	88.4	Confident	90.5	Very high	92 Å²	92	45.3 Å²	45.3	49%	0.492	23%	0.231	S	C	.	.			trans	-60.4	159.2	178.3	-58	-6.8	0	0	0	111.3	N94 E121 T143	N94-N119 PolarHBondContact ND2-O 2.95Å; N119-E121 PolarHBondContact O-N 2.7Å; N119-T143 HydrophobicContact CB-CG2 3.66Å
120	C	91.3	Very high	90.1	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	26%	0.262	C	S	.	.			trans	-57.8	131.5	170.2	175.4	0	0	0	0	110.8	T112 D114 T143 S144 V150	T112-C120 PolarHBondContact O-SG 3.14Å; D114-C120 HydrophobicContact CB-CB 4.45Å; C120-T143 CarbonylContact O-C 3.59Å; C120-T143 WeakPolarHBondContact O-CA 3.19Å; C120-S144 PolarHBondContact O-N 2.9Å; C120-V150 VanDerWaalsContact SG-CG2 3.58Å; C120-V150 PolarHBondContact SG-N 2.97Å; C120-V150 VanDerWaalsContact SG-N 3.4Å
121	E	93.4	Very high	89.6	Confident	34 Å²	34	51.3 Å²	51.3	16%	0.159	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.4	179.5	-59	177.5	136.6	0	0	110.2	T111 T112 N119 I123 K141 I142	T111-E121 CarbonylContact C-O 3.52Å; T111-E121 WeakPolarHBondContact CA-O 3.25Å; T112-E121 PolarHBondContact N-O 3.03Å; T112-E121 WeakPolarHBondContact OG1-CB 3.08Å; T112-E121 PolarHBondContact OG1-N 2.66Å; T112-E121 PolarHBondContact OG1-O 3.46Å; N119-E121 PolarHBondContact O-N 2.7Å; E121-I123 HydrophobicContact CB-CG1 4.5Å; E121-K141 VanDerWaalsContact CD-NZ 3.26Å; E121-K141 WeakPolarHBondContact OE1-CE 3.32Å; E121-K141 IonicContact OE1-NZ 3.24Å; E121-K141 PolarHBondContact OE1-NZ 2.85Å; E121-K141 VanDerWaalsContact OE1-NZ 3.08Å; E121-K141 WeakPolarHBondContact OE2-CE 3.32Å; E121-K141 IonicContact OE2-NZ 3.12Å; E121-K141 PolarHBondContact OE2-NZ 2.94Å; E121-I142 CarbonylContact C-O 3.27Å; E121-I142 VanDerWaalsContact CA-O 3.28Å; E121-I142 WeakPolarHBondContact CA-O 3.25Å
122	V	94.3	Very high	89.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.4	168.9	-175.7	0	0	0	0	107.7	T111 F140 I142 V150 I174	T111-V122 HydrophobicContact CG2-CG1 4.3Å; T111-V122 HydrophobicContact CG2-CG2 4.16Å; V122-F140 HydrophobicContact CB-CE2 4.38Å; V122-F140 HydrophobicContact CG1-CE2 4Å; V122-F140 HydrophobicContact CG1-CZ 4.29Å; V122-F140 WeakPolarHBondContact O-CE2 3.34Å; V122-I142 HydrophobicContact CB-CG1 4.09Å; V122-I142 PolarHBondContact N-O 3.35Å; V122-I142 PolarHBondContact O-N 2.94Å; V122-V150 HydrophobicContact CG2-CG2 4.23Å; V122-I174 HydrophobicContact CB-CD1 4.28Å; V122-I174 HydrophobicContact CG1-CD1 4.06Å; V122-I174 HydrophobicContact CG2-CD1 4.09Å
123	I	94.4	Very high	88.8	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.4	-175.3	-54.4	170.2	0	0	0	108	Y90 T92 F109 I110 E121 L125 C138 F140 K141	Y90-I123 HydrophobicContact CE1-CD1 4.28Å; T92-I123 HydrophobicContact CG2-CD1 4.26Å; F109-I123 CarbonylContact C-O 3.53Å; F109-I123 VanDerWaalsContact CA-O 3.24Å; F109-I123 WeakPolarHBondContact CA-O 3.29Å; I110-I123 HydrophobicContact CB-CB 4.47Å; I110-I123 PolarHBondContact N-O 2.75Å; I110-I123 PolarHBondContact O-N 2.88Å; E121-I123 HydrophobicContact CB-CG1 4.5Å; I123-L125 HydrophobicContact CG2-CD2 3.83Å; I123-L125 HydrophobicContact CG2-CG 4.06Å; I123-C138 HydrophobicContact CG2-CB 4.01Å; I123-F140 WeakPolarHBondContact CA-O 3.33Å; I123-K141 HydrophobicContact CD1-CD 4.43Å; I123-K141 HydrophobicContact CG1-CB 4.42Å; I123-K141 HydrophobicContact CG1-CD 4.31Å; I123-K141 HydrophobicContact CG1-CG 4.07Å
124	A	94.5	Very high	88.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.1	169.3	0	0	0	0	0	110.9	I108 I139 F140 I162	I108-A124 WeakPolarHBondContact O-CA 3.44Å; A124-I139 HydrophobicContact CB-CB 4.25Å; A124-I139 HydrophobicContact CB-CD1 4.47Å; A124-I139 WeakPolarHBondContact O-CB 3.41Å; A124-I139 PolarHBondContact O-N 3.3Å; A124-F140 HydrophobicContact CB-CD1 3.65Å; A124-F140 HydrophobicContact CB-CE1 3.2Å; A124-F140 HydrophobicContact CB-CE2 4.35Å; A124-F140 HydrophobicContact CB-CG 4.38Å; A124-F140 HydrophobicContact CB-CZ 3.62Å; A124-F140 PolarHBondContact N-O 3.08Å; A124-F140 VanDerWaalsContact N-O 3.07Å; A124-I162 HydrophobicContact CB-CD1 4.38Å
125	L	93.9	Very high	88.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.3	-175.4	-52.2	166.8	0	0	0	109.6	Y90 L107 I108 I110 I123 H132 M133 C138	Y90-L125 HydrophobicContact CD1-CD1 4.35Å; Y90-L125 HydrophobicContact CD2-CD1 3.56Å; Y90-L125 HydrophobicContact CE1-CD1 4.28Å; Y90-L125 HydrophobicContact CE2-CD1 3.47Å; Y90-L125 VanDerWaalsContact CE2-CD1 3.47Å; Y90-L125 HydrophobicContact CE2-CD2 3.75Å; Y90-L125 HydrophobicContact CE2-CG 4.27Å; Y90-L125 HydrophobicContact CG-CD1 4.02Å; L107-L125 CarbonylContact C-O 3.45Å; L107-L125 WeakPolarHBondContact CA-O 3.38Å; I108-L125 HydrophobicContact CD1-CB 4.18Å; I108-L125 HydrophobicContact CD1-CD1 3.92Å; I108-L125 HydrophobicContact CG1-CB 3.68Å; I108-L125 HydrophobicContact CG1-CD1 4.14Å; I108-L125 HydrophobicContact CG1-CG 4.37Å; I108-L125 PolarHBondContact N-O 2.79Å; I108-L125 PolarHBondContact O-N 3.01Å; I110-L125 HydrophobicContact CD1-CD1 3.7Å; I110-L125 HydrophobicContact CG1-CD1 4.48Å; I123-L125 HydrophobicContact CG2-CD2 3.83Å; I123-L125 HydrophobicContact CG2-CG 4.06Å; L125-H132 HydrophobicContact CB-CB 4.32Å; L125-H132 HydrophobicContact CD2-CB 4.21Å; L125-M133 HydrophobicContact CB-CE 4.03Å; L125-M133 HydrophobicContact CD1-CE 4.4Å; L125-C138 HydrophobicContact CD2-CB 3.52Å
126	D	92.9	Very high	87.9	Confident	23 Å²	23	61.6 Å²	61.6	12%	0.123	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.5	166.8	-168.3	-34	0	0	0	108.4	L107 R128 D129 H132 I139	L107-D126 HydrophobicContact CD2-CB 3.89Å; D126-R128 PolarHBondContact O-N 2.86Å; D126-R128 VanDerWaalsContact OD1-CB 3.29Å; D126-R128 WeakPolarHBondContact OD1-CB 3.28Å; D126-R128 WeakPolarHBondContact OD1-CG 3.44Å; D126-R128 IonicContact OD1-CZ 3.79Å; D126-R128 PolarHBondContact OD1-N 2.87Å; D126-R128 IonicContact OD1-NE 3.9Å; D126-R128 PolarHBondContact OD1-NE 2.91Å; D126-R128 IonicContact OD1-NH2 3.27Å; D126-R128 IonicContact OD2-CZ 2.62Å; D126-R128 IonicContact OD2-NE 2.75Å; D126-R128 PolarHBondContact OD2-NE 2.98Å; D126-R128 IonicContact OD2-NH2 3.55Å; D126-R128 PolarHBondContact OD2-NH2 3.44Å; D126-D129 HydrophobicContact CB-CB 4.43Å; D126-D129 PolarHBondContact O-N 3.07Å; D126-H132 WeakPolarHBondContact CB-ND1 2.93Å; D126-H132 PolarHBondContact N-ND1 2.88Å; D126-H132 WeakPolarHBondContact O-CB 3.32Å; D126-H132 PolarHBondContact O-ND1 2.91Å; D126-I139 HydrophobicContact CB-CD1 4.17Å
127	K	89.7	Confident	88.3	Confident	63 Å²	63	60.2 Å²	60.2	27%	0.274	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.1	-178.4	81.2	-177.2	-173.7	-179.6	0	113.6	M66 G105 N106 D129 M133	M66-K127 HydrophobicContact CE-CD 4.32Å; M66-K127 HydrophobicContact SD-CD 3.97Å; G105-K127 WeakPolarHBondContact O-CD 3.48Å; G105-K127 WeakPolarHBondContact O-CE 3.26Å; G105-K127 PolarHBondContact O-NZ 2.89Å; N106-K127 WeakPolarHBondContact O-CG 3.15Å; N106-K127 PolarHBondContact O-N 3.35Å; N106-K127 WeakPolarHBondContact OD1-CE 3.37Å; K127-D129 VanDerWaalsContact C-N 3.28Å; K127-M133 HydrophobicContact CB-CE 4.23Å; K127-M133 HydrophobicContact CB-SD 4.39Å
128	R	89.2	Confident	88.7	Confident	166 Å²	166	52.8 Å²	52.8	63%	0.626	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.1	-178.6	-57.7	171.4	-66.6	176.3	4.1	111.6	N106 D126	N106-R128 HydrophobicContact CB-CG 4.38Å; D126-R128 PolarHBondContact O-N 2.86Å; D126-R128 VanDerWaalsContact OD1-CB 3.29Å; D126-R128 WeakPolarHBondContact OD1-CB 3.28Å; D126-R128 WeakPolarHBondContact OD1-CG 3.44Å; D126-R128 IonicContact OD1-CZ 3.79Å; D126-R128 PolarHBondContact OD1-N 2.87Å; D126-R128 IonicContact OD1-NE 3.9Å; D126-R128 PolarHBondContact OD1-NE 2.91Å; D126-R128 IonicContact OD1-NH2 3.27Å; D126-R128 IonicContact OD2-CZ 2.62Å; D126-R128 IonicContact OD2-NE 2.75Å; D126-R128 PolarHBondContact OD2-NE 2.98Å; D126-R128 IonicContact OD2-NH2 3.55Å; D126-R128 PolarHBondContact OD2-NH2 3.44Å
129	D	89.2	Confident	89	Confident	60 Å²	60	50.9 Å²	50.9	32%	0.321	26%	0.263	S	S	.	.			trans	-87.7	111.2	177.5	-166.1	-20.7	0	0	0	110	D126 K127 S131 H132 M133	D126-D129 HydrophobicContact CB-CB 4.43Å; D126-D129 PolarHBondContact O-N 3.07Å; K127-D129 VanDerWaalsContact C-N 3.28Å; D129-S131 PolarHBondContact O-N 2.83Å; D129-S131 VanDerWaalsContact OD1-CB 3.29Å; D129-S131 WeakPolarHBondContact OD1-CB 3.5Å; D129-S131 PolarHBondContact OD1-N 2.84Å; D129-S131 PolarHBondContact OD1-OG 2.88Å; D129-S131 PolarHBondContact OD2-OG 2.9Å; D129-S131 VanDerWaalsContact OD2-OG 3.09Å; D129-H132 HydrophobicContact CB-CB 4.32Å; D129-H132 WeakPolarHBondContact O-CB 3.5Å; D129-H132 PolarHBondContact O-N 2.85Å; D129-H132 VanDerWaalsContact O-N 3.08Å; D129-H132 IonicContact OD2-CE1 3.91Å; D129-H132 IonicContact OD2-NE2 3.68Å; D129-M133 PolarHBondContact O-N 3.27Å
130	S	87.3	Confident	89.1	Confident	95 Å²	95	47.3 Å²	47.3	66%	0.664	24%	0.244	S	C	*	.	H	α-helix	trans	-62.2	-24.1	177.7	61.6	0	0	0	0	112.5	S134	S130-S134 VanDerWaalsContact O-CB 3.28Å; S130-S134 WeakPolarHBondContact O-CB 2.85Å; S130-S134 PolarHBondContact O-N 2.93Å; S130-S134 PolarHBondContact O-OG 3.34Å
131	S	85.9	Confident	89.2	Confident	31 Å²	31	52 Å²	52	22%	0.217	26%	0.264	C	S	.	.	H	α-helix	trans	-69.1	-34.4	175.2	70.3	0	0	0	0	112.2	D129 S134 Q135 K136 S137	D129-S131 PolarHBondContact O-N 2.83Å; D129-S131 VanDerWaalsContact OD1-CB 3.29Å; D129-S131 WeakPolarHBondContact OD1-CB 3.5Å; D129-S131 PolarHBondContact OD1-N 2.84Å; D129-S131 PolarHBondContact OD1-OG 2.88Å; D129-S131 PolarHBondContact OD2-OG 2.9Å; D129-S131 VanDerWaalsContact OD2-OG 3.09Å; S131-S134 WeakPolarHBondContact CA-OG 3.25Å; S131-S134 PolarHBondContact O-OG 2.8Å; S131-Q135 PolarHBondContact O-N 3.19Å; S131-K136 PolarHBondContact O-N 3.38Å; S131-S137 VanDerWaalsContact CB-OG 3.23Å; S131-S137 WeakPolarHBondContact CB-OG 3.35Å; S131-S137 PolarHBondContact O-N 3.34Å; S131-S137 PolarHBondContact OG-OG 2.8Å
132	H	87.7	Confident	89.1	Confident	18 Å²	18	52.3 Å²	52.3	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-69.5	-46.6	173.3	-65	164.6	0	0	0	112	L125 D126 D129 S134 Q135 S137	L125-H132 HydrophobicContact CB-CB 4.32Å; L125-H132 HydrophobicContact CD2-CB 4.21Å; D126-H132 WeakPolarHBondContact CB-ND1 2.93Å; D126-H132 PolarHBondContact N-ND1 2.88Å; D126-H132 WeakPolarHBondContact O-CB 3.32Å; D126-H132 PolarHBondContact O-ND1 2.91Å; D129-H132 HydrophobicContact CB-CB 4.32Å; D129-H132 WeakPolarHBondContact O-CB 3.5Å; D129-H132 PolarHBondContact O-N 2.85Å; D129-H132 VanDerWaalsContact O-N 3.08Å; D129-H132 IonicContact OD2-CE1 3.91Å; D129-H132 IonicContact OD2-NE2 3.68Å; H132-S134 VanDerWaalsContact C-N 3.28Å; H132-S134 PolarHBondContact O-N 3.01Å; H132-Q135 PolarHBondContact O-N 3.48Å; H132-S137 WeakPolarHBondContact CA-O 3.46Å; H132-S137 VanDerWaalsContact CD2-C 3.41Å; H132-S137 PolarHBondContact CD2-O 3.44Å; H132-S137 PolarHBondContact CD2-OG 2.84Å
133	M	86.2	Confident	88.9	Confident	24 Å²	24	55.3 Å²	55.3	12%	0.118	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-30.8	179.8	-62.6	-63.7	107.8	0	0	112.3	I78 I108 L125 K127 D129 Q135	I78-M133 HydrophobicContact CD1-SD 3.76Å; I108-M133 HydrophobicContact CD1-CE 3.95Å; L125-M133 HydrophobicContact CB-CE 4.03Å; L125-M133 HydrophobicContact CD1-CE 4.4Å; K127-M133 HydrophobicContact CB-CE 4.23Å; K127-M133 HydrophobicContact CB-SD 4.39Å; D129-M133 PolarHBondContact O-N 3.27Å; M133-Q135 PolarHBondContact O-N 3.33Å
134	S	82.2	Confident	88.5	Confident	59 Å²	59	55.3 Å²	55.3	41%	0.413	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	9.3	172	61.4	0	0	0	0	114.2	S130 S131 H132 K136	S130-S134 VanDerWaalsContact O-CB 3.28Å; S130-S134 WeakPolarHBondContact O-CB 2.85Å; S130-S134 PolarHBondContact O-N 2.93Å; S130-S134 PolarHBondContact O-OG 3.34Å; S131-S134 WeakPolarHBondContact CA-OG 3.25Å; S131-S134 PolarHBondContact O-OG 2.8Å; H132-S134 VanDerWaalsContact C-N 3.28Å; H132-S134 PolarHBondContact O-N 3.01Å; S134-K136 PolarHBondContact O-N 2.93Å; S134-K136 VanDerWaalsContact O-N 3.17Å
135	Q	86	Confident	87.9	Confident	79 Å²	79	57.3 Å²	57.3	37%	0.369	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	21	177	-58.4	164.4	40.4	0	0	114.2	T89 Y90 N91 S131 H132 M133	T89-Q135 PolarHBondContact O-NE2 3.02Å; Y90-Q135 HydrophobicContact CD2-CG 3.48Å; Y90-Q135 VanDerWaalsContact CD2-CG 3.48Å; Y90-Q135 HydrophobicContact CE2-CB 4.2Å; Y90-Q135 HydrophobicContact CE2-CG 3.49Å; Y90-Q135 VanDerWaalsContact CE2-CG 3.49Å; Y90-Q135 HydrophobicContact CG-CG 4.12Å; N91-Q135 PolarHBondContact O-OE1 3.31Å; S131-Q135 PolarHBondContact O-N 3.19Å; H132-Q135 PolarHBondContact O-N 3.48Å; M133-Q135 PolarHBondContact O-N 3.33Å
136	K	76	Confident	87.6	Confident	174 Å²	174	58.1 Å²	58.1	76%	0.757	30%	0.302	S	S	*	.	S	Bend	trans	-82.6	-28	178.3	-66.7	-178.3	-178.8	177.8	0	112.5	S131 S134	S131-K136 PolarHBondContact O-N 3.38Å; S134-K136 PolarHBondContact O-N 2.93Å; S134-K136 VanDerWaalsContact O-N 3.17Å
137	S	87.7	Confident	87.2	Confident	44 Å²	44	63.7 Å²	63.7	31%	0.308	33%	0.332	S	S	.	.			trans	-147.3	171.4	-178.2	44.9	0	0	0	0	109.7	S131 H132	S131-S137 VanDerWaalsContact CB-OG 3.23Å; S131-S137 WeakPolarHBondContact CB-OG 3.35Å; S131-S137 PolarHBondContact O-N 3.34Å; S131-S137 PolarHBondContact OG-OG 2.8Å; H132-S137 WeakPolarHBondContact CA-O 3.46Å; H132-S137 VanDerWaalsContact CD2-C 3.41Å; H132-S137 PolarHBondContact CD2-O 3.44Å; H132-S137 PolarHBondContact CD2-OG 2.84Å
138	C	88.7	Confident	87.1	Confident	39 Å²	39	61.8 Å²	61.8	26%	0.264	33%	0.327	S	S	.	.			trans	-150	164.3	169.6	54.5	0	0	0	0	108	I123 L125 K141	I123-C138 HydrophobicContact CG2-CB 4.01Å; L125-C138 HydrophobicContact CD2-CB 3.52Å; C138-K141 VanDerWaalsContact SG-CB 3.59Å
139	I	89.4	Confident	87.3	Confident	64 Å²	64	57 Å²	57	33%	0.328	31%	0.31	S	S	.	.	S	Bend	trans	-64.6	-52	175.5	-60.2	173.5	0	0	0	108.8	L107 A124 D126	L107-I139 HydrophobicContact CD2-CD1 3.71Å; A124-I139 HydrophobicContact CB-CB 4.25Å; A124-I139 HydrophobicContact CB-CD1 4.47Å; A124-I139 WeakPolarHBondContact O-CB 3.41Å; A124-I139 PolarHBondContact O-N 3.3Å; D126-I139 HydrophobicContact CB-CD1 4.17Å
140	F	91.2	Very high	87.6	Confident	17 Å²	17	54.2 Å²	54.2	8%	0.075	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.3	167.7	70.8	-98.2	0	0	0	109.6	V122 I123 A124 I142 I162 I174 V176	V122-F140 HydrophobicContact CB-CE2 4.38Å; V122-F140 HydrophobicContact CG1-CE2 4Å; V122-F140 HydrophobicContact CG1-CZ 4.29Å; V122-F140 WeakPolarHBondContact O-CE2 3.34Å; I123-F140 WeakPolarHBondContact CA-O 3.33Å; A124-F140 HydrophobicContact CB-CD1 3.65Å; A124-F140 HydrophobicContact CB-CE1 3.2Å; A124-F140 HydrophobicContact CB-CE2 4.35Å; A124-F140 HydrophobicContact CB-CG 4.38Å; A124-F140 HydrophobicContact CB-CZ 3.62Å; A124-F140 PolarHBondContact N-O 3.08Å; A124-F140 VanDerWaalsContact N-O 3.07Å; F140-I142 HydrophobicContact CD2-CB 4.48Å; F140-I142 HydrophobicContact CD2-CD1 4.39Å; F140-I142 HydrophobicContact CD2-CG1 4.05Å; F140-I142 HydrophobicContact CD2-CG2 3.97Å; F140-I142 HydrophobicContact CE2-CD1 4.1Å; F140-I142 HydrophobicContact CE2-CG1 3.97Å; F140-I162 HydrophobicContact CE1-CD1 4.24Å; F140-I162 HydrophobicContact CZ-CD1 3.83Å; F140-I174 HydrophobicContact CE2-CG2 4.24Å; F140-I174 HydrophobicContact CZ-CG2 3.96Å; F140-V176 WeakPolarHBondContact CD1-O 3.22Å; F140-V176 HydrophobicContact CE1-CB 4.45Å; F140-V176 HydrophobicContact CE1-CG1 4.34Å
141	K	92.4	Very high	87.8	Confident	101 Å²	101	50.5 Å²	50.5	44%	0.439	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	111.7	169.9	171.9	170	-178.4	171.4	0	107.5	E121 I123 C138	E121-K141 VanDerWaalsContact CD-NZ 3.26Å; E121-K141 WeakPolarHBondContact OE1-CE 3.32Å; E121-K141 IonicContact OE1-NZ 3.24Å; E121-K141 PolarHBondContact OE1-NZ 2.85Å; E121-K141 VanDerWaalsContact OE1-NZ 3.08Å; E121-K141 WeakPolarHBondContact OE2-CE 3.32Å; E121-K141 IonicContact OE2-NZ 3.12Å; E121-K141 PolarHBondContact OE2-NZ 2.94Å; I123-K141 HydrophobicContact CD1-CD 4.43Å; I123-K141 HydrophobicContact CG1-CB 4.42Å; I123-K141 HydrophobicContact CG1-CD 4.31Å; I123-K141 HydrophobicContact CG1-CG 4.07Å; C138-K141 VanDerWaalsContact SG-CB 3.59Å
142	I	92	Very high	88.2	Confident	39 Å²	39	49 Å²	49	20%	0.2	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.8	-178.7	66.2	177.2	0	0	0	110.2	E121 V122 F140 P145 I174 G179	E121-I142 CarbonylContact C-O 3.27Å; E121-I142 VanDerWaalsContact CA-O 3.28Å; E121-I142 WeakPolarHBondContact CA-O 3.25Å; V122-I142 HydrophobicContact CB-CG1 4.09Å; V122-I142 PolarHBondContact N-O 3.35Å; V122-I142 PolarHBondContact O-N 2.94Å; F140-I142 HydrophobicContact CD2-CB 4.48Å; F140-I142 HydrophobicContact CD2-CD1 4.39Å; F140-I142 HydrophobicContact CD2-CG1 4.05Å; F140-I142 HydrophobicContact CD2-CG2 3.97Å; F140-I142 HydrophobicContact CE2-CD1 4.1Å; F140-I142 HydrophobicContact CE2-CG1 3.97Å; I142-P145 HydrophobicContact CD1-CG 4.23Å; I142-I174 HydrophobicContact CD1-CD1 3.91Å; I142-I174 HydrophobicContact CD1-CG1 4.15Å; I142-I174 HydrophobicContact CD1-CG2 3.77Å; I142-G179 WeakPolarHBondContact CD1-O 3.28Å; I142-G179 WeakPolarHBondContact CG2-O 3.42Å
143	T	90.7	Very high	88.6	Confident	63 Å²	63	48.2 Å²	48.2	39%	0.387	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	148.4	164.5	-55	0	0	0	0	109.7	N119 C120 P145	N119-T143 HydrophobicContact CB-CG2 3.66Å; C120-T143 CarbonylContact O-C 3.59Å; C120-T143 WeakPolarHBondContact O-CA 3.19Å; T143-P145 WeakPolarHBondContact O-CD 3.36Å
144	S	86.4	Confident	89.1	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.021	25%	0.253	C	S	.	.			trans	-44.5	121.8	174.9	54.7	0	0	0	0	110.8	C120 D146 D147 S148	C120-S144 PolarHBondContact O-N 2.9Å; S144-D146 PolarHBondContact O-N 3.14Å; S144-D147 PolarHBondContact O-N 2.92Å; S144-D147 VanDerWaalsContact O-N 3.1Å; S144-S148 VanDerWaalsContact CB-O 3.29Å; S144-S148 WeakPolarHBondContact CB-O 3.29Å; S144-S148 PolarHBondContact OG-O 3.36Å
145	P	82.1	Confident	89.7	Confident	41 Å²	41	45.5 Å²	45.5	27%	0.266	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.9	-176	-25.4	33.9	0	0	0	115.7	I142 T143 T172 I174 C181	I142-P145 HydrophobicContact CD1-CG 4.23Å; T143-P145 WeakPolarHBondContact O-CD 3.36Å; P145-T172 HydrophobicContact CB-CG2 4.33Å; P145-I174 HydrophobicContact CG-CD1 3.94Å; P145-I174 HydrophobicContact CG-CG1 3.88Å; P145-C181 HydrophobicContact CB-CB 3.76Å; P145-C181 HydrophobicContact CG-CB 4.02Å
146	D	86.2	Confident	90	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.091	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-1.6	-178.8	-167.6	65.8	0	0	0	113.4	S144 S148 H166 S168 A170 T172 R184	S144-D146 PolarHBondContact O-N 3.14Å; D146-S148 PolarHBondContact O-N 3.15Å; D146-S148 WeakPolarHBondContact OD2-CB 3.45Å; D146-S148 PolarHBondContact OD2-OG 3.28Å; D146-H166 HydrophobicContact CB-CB 4.41Å; D146-H166 IonicContact OD2-CG 3.46Å; D146-S168 VanDerWaalsContact OD2-CB 3.26Å; D146-S168 WeakPolarHBondContact OD2-CB 3.43Å; D146-S168 PolarHBondContact OD2-OG 2.75Å; D146-A170 VanDerWaalsContact OD1-CB 3.27Å; D146-A170 WeakPolarHBondContact OD1-CB 3.35Å; D146-T172 HydrophobicContact CB-CG2 4.46Å; D146-R184 IonicContact OD1-CZ 3.07Å; D146-R184 IonicContact OD1-NE 3.4Å; D146-R184 PolarHBondContact OD1-NE 3.25Å; D146-R184 IonicContact OD1-NH2 2.64Å; D146-R184 PolarHBondContact OD1-NH2 3.21Å
147	D	84.1	Confident	90.7	Very high	140 Å²	140	34.2 Å²	34.2	75%	0.749	19%	0.187	S	C	*	.	S	Bend	trans	52	24.2	-169.8	-63.4	-38.4	0	0	0	113.8	S144	S144-D147 PolarHBondContact O-N 2.92Å; S144-D147 VanDerWaalsContact O-N 3.1Å
148	S	89.7	Confident	90.7	Very high	24 Å²	24	37 Å²	37	17%	0.168	20%	0.202	C	C	.	.	S	Bend	trans	-131.9	167.4	173.6	80.1	0	0	0	0	110.7	S144 D146 V150 H166 S168	S144-S148 VanDerWaalsContact CB-O 3.29Å; S144-S148 WeakPolarHBondContact CB-O 3.29Å; S144-S148 PolarHBondContact OG-O 3.36Å; D146-S148 PolarHBondContact O-N 3.15Å; D146-S148 WeakPolarHBondContact OD2-CB 3.45Å; D146-S148 PolarHBondContact OD2-OG 3.28Å; S148-V150 PolarHBondContact O-N 3.05Å; S148-H166 WeakPolarHBondContact OG-CB 3.44Å; S148-S168 PolarHBondContact OG-OG 2.84Å
149	K	92.7	Very high	90.6	Very high	65 Å²	65	36.6 Å²	36.6	28%	0.283	20%	0.197	S	C	.	.			trans	-69.7	132.2	-172	-49.3	-170.8	-164.8	178.2	0	110.8	D113 D114 T151 H166 E167	D113-K149 WeakPolarHBondContact OD1-CD 3.24Å; D114-K149 HydrophobicContact CB-CD 3.93Å; D114-K149 HydrophobicContact CB-CG 3.73Å; K149-T151 PolarHBondContact O-N 2.94Å; K149-H166 CarbonylContact O-C 3.56Å; K149-H166 WeakPolarHBondContact O-CA 3.33Å; K149-E167 HydrophobicContact CB-CB 4.19Å; K149-E167 WeakPolarHBondContact CD-OE2 3.37Å; K149-E167 WeakPolarHBondContact CE-OE2 3.47Å; K149-E167 VanDerWaalsContact CG-OE2 3.23Å; K149-E167 WeakPolarHBondContact CG-OE2 3.33Å; K149-E167 PolarHBondContact O-N 3.41Å
150	V	94.2	Very high	90.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	115.3	170.4	178.5	0	0	0	0	108.7	R97 T111 C120 V122 S148 G152 A153 C164 G165	R97-V150 WeakPolarHBondContact CG-O 3.39Å; T111-V150 HydrophobicContact CG2-CB 4.48Å; T111-V150 HydrophobicContact CG2-CG1 3.91Å; C120-V150 VanDerWaalsContact SG-CG2 3.58Å; C120-V150 PolarHBondContact SG-N 2.97Å; C120-V150 VanDerWaalsContact SG-N 3.4Å; V122-V150 HydrophobicContact CG2-CG2 4.23Å; S148-V150 PolarHBondContact O-N 3.05Å; V150-G152 WeakPolarHBondContact CG1-O 3.48Å; V150-A153 HydrophobicContact CG1-CB 4.22Å; V150-C164 HydrophobicContact CG1-CB 3.92Å; V150-C164 HydrophobicContact CG2-CB 4.19Å; V150-G165 WeakPolarHBondContact CA-O 3.4Å
151	T	93.5	Very high	90.7	Very high	17 Å²	17	42.3 Å²	42.3	10%	0.104	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-30.9	-176.7	48.1	0	0	0	0	112.8	T98 K149 G165 E167 V192	T98-T151 WeakPolarHBondContact CG2-O 3.49Å; K149-T151 PolarHBondContact O-N 2.94Å; T151-G165 PolarHBondContact N-O 3Å; T151-G165 PolarHBondContact OG1-O 2.86Å; T151-G165 VanDerWaalsContact OG1-O 3.14Å; T151-E167 HydrophobicContact CG2-CB 4.08Å; T151-V192 WeakPolarHBondContact CB-O 3.49Å; T151-V192 PolarHBondContact OG1-O 2.97Å
152	G	93.8	Very high	90.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143.6	-179.8	0	0	0	0	0	109.8	V150 G165 M195	V150-G152 WeakPolarHBondContact CG1-O 3.48Å; G152-G165 PolarHBondContact N-O 3.47Å; G152-G165 PolarHBondContact O-N 2.9Å; G152-M195 VanDerWaalsContact O-CE 3.25Å; G152-M195 WeakPolarHBondContact O-CE 3.44Å
153	A	95.8	Very high	91.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	148.1	170.4	0	0	0	0	0	111.1	T98 F109 T111 V150 I162 I163 M195	T98-A153 WeakPolarHBondContact OG1-CB 3.45Å; F109-A153 HydrophobicContact CD2-CB 4.31Å; F109-A153 HydrophobicContact CE2-CB 3.59Å; F109-A153 HydrophobicContact CZ-CB 3.89Å; F109-A153 WeakPolarHBondContact CZ-O 3.41Å; T111-A153 HydrophobicContact CG2-CB 3.94Å; V150-A153 HydrophobicContact CG1-CB 4.22Å; A153-I162 HydrophobicContact CB-CG2 4.4Å; A153-I163 CarbonylContact C-O 3.59Å; A153-I163 VanDerWaalsContact CA-O 3.25Å; A153-I163 WeakPolarHBondContact CA-O 3.42Å; A153-M195 VanDerWaalsContact CA-CE 3.46Å
154	I	95.8	Very high	91.3	Very high	17 Å²	17	32.7 Å²	32.7	9%	0.087	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.7	179.2	63.8	-177.6	0	0	0	110.6	I163 M195 M197 F204	I154-I163 HydrophobicContact CG1-CB 3.98Å; I154-I163 PolarHBondContact N-O 2.82Å; I154-I163 PolarHBondContact O-N 2.74Å; I154-M195 HydrophobicContact CD1-CB 4.16Å; I154-M195 HydrophobicContact CG1-CE 4.14Å; I154-M195 HydrophobicContact CG2-CB 4.15Å; I154-M195 HydrophobicContact CG2-CE 4.49Å; I154-M195 WeakPolarHBondContact CG2-O 3.28Å; I154-M197 HydrophobicContact CD1-CB 4.29Å; I154-M197 HydrophobicContact CD1-SD 4.46Å; I154-F204 HydrophobicContact CD1-CB 3.66Å; I154-F204 HydrophobicContact CD1-CD2 4.04Å; I154-F204 HydrophobicContact CD1-CG 3.93Å
155	W	95.1	Very high	91.8	Very high	9 Å²	9	32.5 Å²	32.5	3%	0.034	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	133.1	168.5	-75.6	101.7	0	0	0	110.7	G100 I101 S102 Y103 L107 F109 N159 I162 V176	G100-W155 VanDerWaalsContact C-NE1 3.29Å; G100-W155 PolarHBondContact O-NE1 3.09Å; I101-W155 PolarHBondContact O-NE1 2.69Å; S102-W155 VanDerWaalsContact N-NE1 3.17Å; Y103-W155 HydrophobicContact CD2-CB 4.41Å; Y103-W155 HydrophobicContact CE2-CB 3.95Å; L107-W155 HydrophobicContact CB-CH2 3.81Å; L107-W155 HydrophobicContact CB-CZ2 3.94Å; L107-W155 HydrophobicContact CD1-CH2 4.28Å; F109-W155 HydrophobicContact CB-CZ2 4.22Å; F109-W155 AromaticContact CD1-CD1 3.7Å; F109-W155 HydrophobicContact CD1-CD2 4.02Å; F109-W155 AromaticContact CD1-CE2 3.45Å; F109-W155 VanDerWaalsContact CD1-CE2 3.45Å; F109-W155 HydrophobicContact CD1-CG 4.16Å; F109-W155 AromaticContact CD1-CZ2 3.9Å; F109-W155 HydrophobicContact CD1-CZ2 3.9Å; F109-W155 AromaticContact CD1-NE1 3.2Å; F109-W155 AromaticContact CE1-CD1 3.46Å; F109-W155 VanDerWaalsContact CE1-CD1 3.46Å; F109-W155 HydrophobicContact CE1-CD2 4.38Å; F109-W155 HydrophobicContact CE1-CG 4.03Å; F109-W155 AromaticContact CE1-NE1 3.45Å; W155-N159 HydrophobicContact CE3-CB 4.41Å; W155-N159 HydrophobicContact CZ3-CB 4.41Å; W155-I162 HydrophobicContact CD2-CG1 4.28Å; W155-I162 HydrophobicContact CE3-CG1 3.9Å; W155-I162 HydrophobicContact CH2-CD1 4.06Å; W155-I162 HydrophobicContact CH2-CG1 4.07Å; W155-I162 HydrophobicContact CZ2-CD1 4.46Å; W155-I162 HydrophobicContact CZ2-CG1 4.43Å; W155-I162 HydrophobicContact CZ3-CD1 4.25Å; W155-I162 HydrophobicContact CZ3-CG1 3.83Å; W155-V176 HydrophobicContact CE3-CG2 4.29Å; W155-V176 HydrophobicContact CH2-CG1 4.14Å; W155-V176 HydrophobicContact CH2-CG2 4Å; W155-V176 HydrophobicContact CZ3-CB 4.35Å; W155-V176 HydrophobicContact CZ3-CG1 4.17Å; W155-V176 HydrophobicContact CZ3-CG2 3.39Å
156	G	93.2	Very high	92.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.			trans	-77.6	175.9	166.1	0	0	0	0	0	112	N159 N161	G156-N159 PolarHBondContact O-N 3.36Å; G156-N161 WeakPolarHBondContact CA-O 3.5Å; G156-N161 PolarHBondContact N-O 2.77Å
157	P	91.1	Very high	92.9	Very high	16 Å²	16	34.2 Å²	34.2	10%	0.104	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-61.7	142.8	-175.3	25.7	-33.8	0	0	0	111.9	N159 R160 M197 A218 Y219	P157-N159 PolarHBondContact O-N 3.09Å; P157-R160 PolarHBondContact O-N 2.87Å; P157-M197 HydrophobicContact CB-CE 4.46Å; P157-A218 HydrophobicContact CG-CB 4.25Å; P157-Y219 HydrophobicContact CB-CE1 3.99Å; P157-Y219 HydrophobicContact CG-CD1 3.78Å; P157-Y219 HydrophobicContact CG-CE1 3.45Å; P157-Y219 VanDerWaalsContact CG-CE1 3.45Å
158	V	87.3	Confident	93.4	Very high	104 Å²	104	30.2 Å²	30.2	63%	0.63	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	60.3	24.6	175.4	-155.2	0	0	0	0	113.7	R160	V158-R160 HydrophobicContact CB-CG 4.43Å; V158-R160 PolarHBondContact O-N 3.35Å
159	N	86.3	Confident	93.6	Very high	29 Å²	29	29 Å²	29	16%	0.155	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	57.9	19.3	178.2	-49.5	-45.5	0	0	0	114.7	S102 Y103 C104 W155 G156 P157	S102-N159 WeakPolarHBondContact CB-OD1 3.35Å; Y103-N159 WeakPolarHBondContact CB-OD1 3.44Å; Y103-N159 WeakPolarHBondContact CD2-OD1 3.45Å; Y103-N159 PolarHBondContact N-OD1 2.95Å; C104-N159 PolarHBondContact N-ND2 3.4Å; W155-N159 HydrophobicContact CE3-CB 4.41Å; W155-N159 HydrophobicContact CZ3-CB 4.41Å; G156-N159 PolarHBondContact O-N 3.36Å; P157-N159 PolarHBondContact O-N 3.09Å
160	R	89.6	Confident	93.8	Very high	175 Å²	175	26 Å²	26	66%	0.66	13%	0.131	S	C	*	.	S	Bend	trans	-79.9	-37.9	-177.4	-71.8	-172.9	176	-172.6	-1	112.3	P157 V158 V176	P157-R160 PolarHBondContact O-N 2.87Å; V158-R160 HydrophobicContact CB-CG 4.43Å; V158-R160 PolarHBondContact O-N 3.35Å; R160-V176 WeakPolarHBondContact O-CB 3.44Å; R160-V176 VanDerWaalsContact O-CG2 3.26Å; R160-V176 WeakPolarHBondContact O-CG2 3.27Å; R160-V176 PolarHBondContact O-N 3.38Å
161	N	93.4	Very high	93.9	Very high	27 Å²	27	25.9 Å²	25.9	14%	0.144	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.6	-170.4	-56.4	-27.7	0	0	0	110.9	G156 M173 I174	G156-N161 WeakPolarHBondContact CA-O 3.5Å; G156-N161 PolarHBondContact N-O 2.77Å; N161-M173 HydrophobicContact CB-CG 3.56Å; N161-M173 HydrophobicContact CB-SD 4.08Å; N161-M173 PolarHBondContact ND2-SD 2.91Å; N161-I174 CarbonylContact C-O 3.59Å; N161-I174 WeakPolarHBondContact CA-O 3.34Å
162	I	95.3	Very high	94	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	-106.2	127.1	164.3	-65.1	155	0	0	0	106.9	F109 A124 F140 A153 W155 M173 I174 V176	F109-I162 HydrophobicContact CB-CD1 3.62Å; F109-I162 HydrophobicContact CB-CG1 4.27Å; F109-I162 HydrophobicContact CD1-CD1 4.29Å; F109-I162 HydrophobicContact CD1-CG1 4Å; F109-I162 HydrophobicContact CD1-CG2 4.1Å; F109-I162 HydrophobicContact CE1-CG2 4.45Å; F109-I162 HydrophobicContact CG-CD1 4.2Å; F109-I162 HydrophobicContact CG-CG1 4.35Å; F109-I162 HydrophobicContact CG-CG2 4.21Å; A124-I162 HydrophobicContact CB-CD1 4.38Å; F140-I162 HydrophobicContact CE1-CD1 4.24Å; F140-I162 HydrophobicContact CZ-CD1 3.83Å; A153-I162 HydrophobicContact CB-CG2 4.4Å; W155-I162 HydrophobicContact CD2-CG1 4.28Å; W155-I162 HydrophobicContact CE3-CG1 3.9Å; W155-I162 HydrophobicContact CH2-CD1 4.06Å; W155-I162 HydrophobicContact CH2-CG1 4.07Å; W155-I162 HydrophobicContact CZ2-CD1 4.46Å; W155-I162 HydrophobicContact CZ2-CG1 4.43Å; W155-I162 HydrophobicContact CZ3-CD1 4.25Å; W155-I162 HydrophobicContact CZ3-CG1 3.83Å; I162-M173 WeakPolarHBondContact O-CA 3.46Å; I162-I174 PolarHBondContact N-O 2.89Å; I162-I174 PolarHBondContact O-N 2.92Å; I162-V176 HydrophobicContact CD1-CG2 3.78Å; I162-V176 HydrophobicContact CG1-CG2 3.76Å
163	I	96.3	Very high	94.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.7	176.8	-54.8	177.4	0	0	0	106.9	A153 I154 V171 T172 M173 M195 F204 A218 L221	A153-I163 CarbonylContact C-O 3.59Å; A153-I163 VanDerWaalsContact CA-O 3.25Å; A153-I163 WeakPolarHBondContact CA-O 3.42Å; I154-I163 HydrophobicContact CG1-CB 3.98Å; I154-I163 PolarHBondContact N-O 2.82Å; I154-I163 PolarHBondContact O-N 2.74Å; I163-V171 HydrophobicContact CG2-CG1 3.6Å; I163-T172 CarbonylContact C-O 3.59Å; I163-T172 WeakPolarHBondContact CA-O 3.48Å; I163-M173 HydrophobicContact CD1-CE 4.33Å; I163-M173 HydrophobicContact CG1-CE 4.39Å; I163-M195 HydrophobicContact CG2-CE 4.42Å; I163-M195 WeakPolarHBondContact O-CE 3.22Å; I163-F204 HydrophobicContact CD1-CD1 3.92Å; I163-F204 HydrophobicContact CD1-CE1 3.76Å; I163-F204 HydrophobicContact CD1-CZ 4.31Å; I163-F204 HydrophobicContact CG2-CE1 4.42Å; I163-F204 HydrophobicContact CG2-CE2 4.09Å; I163-F204 HydrophobicContact CG2-CZ 3.92Å; I163-A218 HydrophobicContact CD1-CB 4.22Å; I163-L221 HydrophobicContact CD1-CD2 4.36Å; I163-L221 HydrophobicContact CG2-CD2 4.21Å
164	C	96.4	Very high	94	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.1	179.9	-58.8	0	0	0	0	110.2	V150 V171 T172	V150-C164 HydrophobicContact CG1-CB 3.92Å; V150-C164 HydrophobicContact CG2-CB 4.19Å; C164-V171 CarbonylContact O-C 3.56Å; C164-V171 WeakPolarHBondContact O-CA 3.36Å; C164-T172 PolarHBondContact N-O 2.87Å; C164-T172 PolarHBondContact O-N 3.26Å
165	G	96.4	Very high	93.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140.1	167.7	0	0	0	0	0	109.7	V150 T151 G152 M195	V150-G165 WeakPolarHBondContact CA-O 3.4Å; T151-G165 PolarHBondContact N-O 3Å; T151-G165 PolarHBondContact OG1-O 2.86Å; T151-G165 VanDerWaalsContact OG1-O 3.14Å; G152-G165 PolarHBondContact N-O 3.47Å; G152-G165 PolarHBondContact O-N 2.9Å; G165-M195 PolarHBondContact N-SD 2.92Å; G165-M195 VanDerWaalsContact N-SD 3.39Å
166	H	96.3	Very high	93.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	159.3	-170.9	-63.5	-84.8	0	0	0	112.6	D146 S148 K149 S168 G169 A170 T172 V192	D146-H166 HydrophobicContact CB-CB 4.41Å; D146-H166 IonicContact OD2-CG 3.46Å; S148-H166 WeakPolarHBondContact OG-CB 3.44Å; K149-H166 CarbonylContact O-C 3.56Å; K149-H166 WeakPolarHBondContact O-CA 3.33Å; H166-S168 PolarHBondContact O-N 2.55Å; H166-G169 PolarHBondContact O-N 2.83Å; H166-G169 VanDerWaalsContact O-N 3.08Å; H166-A170 HydrophobicContact CB-CB 4.18Å; H166-A170 PolarHBondContact CD2-O 2.6Å; H166-A170 PolarHBondContact N-O 3.31Å; H166-T172 VanDerWaalsContact NE2-CG2 3.26Å; H166-T172 WeakPolarHBondContact NE2-CG2 3.36Å; H166-T172 PolarHBondContact NE2-OG1 2.95Å; H166-V192 PolarHBondContact O-N 2.86Å; H166-V192 VanDerWaalsContact O-N 3.13Å
167	E	94.4	Very high	93.6	Very high	93 Å²	93	31.9 Å²	31.9	44%	0.435	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.5	174.3	-173.2	174.4	-170.6	0	0	112.2	K149 T151 G169 P191	K149-E167 HydrophobicContact CB-CB 4.19Å; K149-E167 WeakPolarHBondContact CD-OE2 3.37Å; K149-E167 WeakPolarHBondContact CE-OE2 3.47Å; K149-E167 VanDerWaalsContact CG-OE2 3.23Å; K149-E167 WeakPolarHBondContact CG-OE2 3.33Å; K149-E167 PolarHBondContact O-N 3.41Å; T151-E167 HydrophobicContact CG2-CB 4.08Å; E167-G169 PolarHBondContact O-N 2.93Å; E167-P191 HydrophobicContact CG-CB 4.21Å; E167-P191 WeakPolarHBondContact O-CA 3.23Å; E167-P191 WeakPolarHBondContact O-CB 3.29Å
168	S	94.2	Very high	93.5	Very high	56 Å²	56	34 Å²	34	39%	0.392	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.3	174.5	68.3	0	0	0	0	114.4	D146 S148 H166 A170	D146-S168 VanDerWaalsContact OD2-CB 3.26Å; D146-S168 WeakPolarHBondContact OD2-CB 3.43Å; D146-S168 PolarHBondContact OD2-OG 2.75Å; S148-S168 PolarHBondContact OG-OG 2.84Å; H166-S168 PolarHBondContact O-N 2.55Å; S168-A170 VanDerWaalsContact OG-CB 3.31Å; S168-A170 WeakPolarHBondContact OG-CB 3.32Å; S168-A170 PolarHBondContact OG-N 3.46Å; S168-A170 VanDerWaalsContact OG-N 3.13Å
169	G	94.3	Very high	93.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	88.7	3.4	-168.2	0	0	0	0	0	114.2	H166 E167 P187 H188 G190	H166-G169 PolarHBondContact O-N 2.83Å; H166-G169 VanDerWaalsContact O-N 3.08Å; E167-G169 PolarHBondContact O-N 2.93Å; G169-P187 WeakPolarHBondContact O-CD 3.45Å; G169-H188 PolarHBondContact O-N 3.25Å; G169-G190 WeakPolarHBondContact CA-O 3.3Å
170	A	96.5	Very high	93.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.			trans	-72.9	152	172.3	0	0	0	0	0	112.7	D146 H166 S168 I185 T186	D146-A170 VanDerWaalsContact OD1-CB 3.27Å; D146-A170 WeakPolarHBondContact OD1-CB 3.35Å; H166-A170 HydrophobicContact CB-CB 4.18Å; H166-A170 PolarHBondContact CD2-O 2.6Å; H166-A170 PolarHBondContact N-O 3.31Å; S168-A170 VanDerWaalsContact OG-CB 3.31Å; S168-A170 WeakPolarHBondContact OG-CB 3.32Å; S168-A170 PolarHBondContact OG-N 3.46Å; S168-A170 VanDerWaalsContact OG-N 3.13Å; A170-I185 CarbonylContact C-O 3.49Å; A170-I185 VanDerWaalsContact CA-O 3.26Å; A170-I185 WeakPolarHBondContact CA-O 3.17Å; A170-T186 HydrophobicContact CB-CG2 3.93Å
171	V	96.6	Very high	94	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.5	165.9	-179.1	0	0	0	0	107.9	I163 C164 I185 P187 V192 F204 T206 L221	I163-V171 HydrophobicContact CG2-CG1 3.6Å; C164-V171 CarbonylContact O-C 3.56Å; C164-V171 WeakPolarHBondContact O-CA 3.36Å; V171-I185 HydrophobicContact CB-CD1 4.24Å; V171-I185 HydrophobicContact CB-CG1 3.93Å; V171-I185 PolarHBondContact N-O 3.09Å; V171-I185 WeakPolarHBondContact O-CG1 3.27Å; V171-I185 PolarHBondContact O-N 2.78Å; V171-P187 HydrophobicContact CG2-CG 3.87Å; V171-V192 HydrophobicContact CG2-CG2 4.38Å; V171-F204 HydrophobicContact CG1-CE2 4.27Å; V171-F204 HydrophobicContact CG1-CZ 4.11Å; V171-T206 HydrophobicContact CG2-CG2 4.49Å; V171-L221 HydrophobicContact CG1-CD2 4.18Å
172	T	96	Very high	93.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.6	-179.4	62.4	0	0	0	0	110.8	P145 D146 I163 C164 H166 K183 R184	P145-T172 HydrophobicContact CB-CG2 4.33Å; D146-T172 HydrophobicContact CB-CG2 4.46Å; I163-T172 CarbonylContact C-O 3.59Å; I163-T172 WeakPolarHBondContact CA-O 3.48Å; C164-T172 PolarHBondContact N-O 2.87Å; C164-T172 PolarHBondContact O-N 3.26Å; H166-T172 VanDerWaalsContact NE2-CG2 3.26Å; H166-T172 WeakPolarHBondContact NE2-CG2 3.36Å; H166-T172 PolarHBondContact NE2-OG1 2.95Å; T172-K183 CarbonylContact C-O 3.54Å; T172-K183 WeakPolarHBondContact CA-O 3.28Å; T172-R184 HydrophobicContact CG2-CB 4.07Å; T172-R184 HydrophobicContact CG2-CG 3.87Å
173	M	95.2	Very high	93.7	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.025	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.3	173.6	-176.4	-175.2	-74	0	0	109.4	N161 I162 I163 C181 S182 K183 A218 L221	N161-M173 HydrophobicContact CB-CG 3.56Å; N161-M173 HydrophobicContact CB-SD 4.08Å; N161-M173 PolarHBondContact ND2-SD 2.91Å; I162-M173 WeakPolarHBondContact O-CA 3.46Å; I163-M173 HydrophobicContact CD1-CE 4.33Å; I163-M173 HydrophobicContact CG1-CE 4.39Å; M173-C181 CarbonylContact O-C 3.57Å; M173-C181 WeakPolarHBondContact O-CA 3.32Å; M173-S182 WeakPolarHBondContact CB-OG 3.43Å; M173-S182 VanDerWaalsContact CG-OG 3.26Å; M173-S182 WeakPolarHBondContact CG-OG 3.4Å; M173-S182 PolarHBondContact O-N 3.13Å; M173-S182 PolarHBondContact O-OG 3.17Å; M173-S182 VanDerWaalsContact O-OG 3.12Å; M173-S182 PolarHBondContact SD-OG 2.74Å; M173-K183 PolarHBondContact N-O 2.65Å; M173-A218 WeakPolarHBondContact CE-O 3.27Å; M173-L221 HydrophobicContact CB-CD1 3.99Å; M173-L221 HydrophobicContact CB-CG 4.49Å; M173-L221 HydrophobicContact CE-CD1 4.47Å; M173-L221 HydrophobicContact CE-CD2 3.65Å; M173-L221 HydrophobicContact CE-CG 3.76Å
174	I	95	Very high	93.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.4	-179	-61.1	158.5	0	0	0	108.2	V122 F140 I142 P145 N161 I162 V176 K180	V122-I174 HydrophobicContact CB-CD1 4.28Å; V122-I174 HydrophobicContact CG1-CD1 4.06Å; V122-I174 HydrophobicContact CG2-CD1 4.09Å; F140-I174 HydrophobicContact CE2-CG2 4.24Å; F140-I174 HydrophobicContact CZ-CG2 3.96Å; I142-I174 HydrophobicContact CD1-CD1 3.91Å; I142-I174 HydrophobicContact CD1-CG1 4.15Å; I142-I174 HydrophobicContact CD1-CG2 3.77Å; P145-I174 HydrophobicContact CG-CD1 3.94Å; P145-I174 HydrophobicContact CG-CG1 3.88Å; N161-I174 CarbonylContact C-O 3.59Å; N161-I174 WeakPolarHBondContact CA-O 3.34Å; I162-I174 PolarHBondContact N-O 2.89Å; I162-I174 PolarHBondContact O-N 2.92Å; I174-V176 PolarHBondContact O-N 3.2Å; I174-K180 WeakPolarHBondContact CA-O 3.44Å
175	D	93.8	Very high	93.6	Very high	50 Å²	50	43.4 Å²	43.4	27%	0.267	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	124.9	172.5	-178	-39.6	0	0	0	109.5	S177 S178 G179 K180	D175-S177 VanDerWaalsContact C-N 3.32Å; D175-S177 PolarHBondContact O-N 3.39Å; D175-S177 WeakPolarHBondContact OD1-CB 3.36Å; D175-S177 PolarHBondContact OD1-N 2.76Å; D175-S177 PolarHBondContact OD1-OG 3.08Å; D175-S178 PolarHBondContact O-N 3.24Å; D175-S178 PolarHBondContact OD1-N 3.13Å; D175-G179 VanDerWaalsContact O-CA 3.29Å; D175-G179 WeakPolarHBondContact O-CA 3.34Å; D175-G179 PolarHBondContact O-N 3.07Å; D175-K180 PolarHBondContact N-O 3.21Å
176	V	91.6	Very high	93.5	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.055	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-29.4	-172.7	175.3	0	0	0	0	112.5	L107 F140 W155 R160 I162 I174	L107-V176 HydrophobicContact CD1-CG1 4.33Å; F140-V176 WeakPolarHBondContact CD1-O 3.22Å; F140-V176 HydrophobicContact CE1-CB 4.45Å; F140-V176 HydrophobicContact CE1-CG1 4.34Å; W155-V176 HydrophobicContact CE3-CG2 4.29Å; W155-V176 HydrophobicContact CH2-CG1 4.14Å; W155-V176 HydrophobicContact CH2-CG2 4Å; W155-V176 HydrophobicContact CZ3-CB 4.35Å; W155-V176 HydrophobicContact CZ3-CG1 4.17Å; W155-V176 HydrophobicContact CZ3-CG2 3.39Å; R160-V176 WeakPolarHBondContact O-CB 3.44Å; R160-V176 VanDerWaalsContact O-CG2 3.26Å; R160-V176 WeakPolarHBondContact O-CG2 3.27Å; R160-V176 PolarHBondContact O-N 3.38Å; I162-V176 HydrophobicContact CD1-CG2 3.78Å; I162-V176 HydrophobicContact CG1-CG2 3.76Å; I174-V176 PolarHBondContact O-N 3.2Å
177	S	89.2	Confident	93.4	Very high	105 Å²	105	49.2 Å²	49.2	73%	0.734	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-30.5	-179.1	69.6	0	0	0	0	112.8	D175	D175-S177 VanDerWaalsContact C-N 3.32Å; D175-S177 PolarHBondContact O-N 3.39Å; D175-S177 WeakPolarHBondContact OD1-CB 3.36Å; D175-S177 PolarHBondContact OD1-N 2.76Å; D175-S177 PolarHBondContact OD1-OG 3.08Å
178	S	88.8	Confident	93.5	Very high	61 Å²	61	45.2 Å²	45.2	43%	0.427	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-17	-175.1	68.9	0	0	0	0	114.2	D175 K180	D175-S178 PolarHBondContact O-N 3.24Å; D175-S178 PolarHBondContact OD1-N 3.13Å; S178-K180 PolarHBondContact O-N 3.28Å; S178-K180 PolarHBondContact OG-N 3.47Å
179	G	89.8	Confident	93.5	Very high	7 Å²	7	52.2 Å²	52.2	7%	0.072	28%	0.277	C	S	.	.			trans	65.6	9.9	-169.8	0	0	0	0	0	113.6	I142 D175	I142-G179 WeakPolarHBondContact CD1-O 3.28Å; I142-G179 WeakPolarHBondContact CG2-O 3.42Å; D175-G179 VanDerWaalsContact O-CA 3.29Å; D175-G179 WeakPolarHBondContact O-CA 3.34Å; D175-G179 PolarHBondContact O-N 3.07Å
180	K	91.9	Very high	93.4	Very high	151 Å²	151	52.8 Å²	52.8	66%	0.657	28%	0.283	S	S	*	.			trans	-88.9	142.3	-178.6	-65.7	-176.6	179.8	179.5	0	111	I174 D175 S178 S182	I174-K180 WeakPolarHBondContact CA-O 3.44Å; D175-K180 PolarHBondContact N-O 3.21Å; S178-K180 PolarHBondContact O-N 3.28Å; S178-K180 PolarHBondContact OG-N 3.47Å; K180-S182 PolarHBondContact O-N 2.68Å
181	C	92.3	Very high	93.4	Very high	55 Å²	55	54.9 Å²	54.9	37%	0.372	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	115.9	168.8	-173.8	0	0	0	0	109.2	P145 M173	P145-C181 HydrophobicContact CB-CB 3.76Å; P145-C181 HydrophobicContact CG-CB 4.02Å; M173-C181 CarbonylContact O-C 3.57Å; M173-C181 WeakPolarHBondContact O-CA 3.32Å
182	S	90.6	Very high	93.4	Very high	70 Å²	70	54.9 Å²	54.9	49%	0.49	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-40.3	-179.6	60.9	0	0	0	0	112.1	M173 K180	M173-S182 WeakPolarHBondContact CB-OG 3.43Å; M173-S182 VanDerWaalsContact CG-OG 3.26Å; M173-S182 WeakPolarHBondContact CG-OG 3.4Å; M173-S182 PolarHBondContact O-N 3.13Å; M173-S182 PolarHBondContact O-OG 3.17Å; M173-S182 VanDerWaalsContact O-OG 3.12Å; M173-S182 PolarHBondContact SD-OG 2.74Å; K180-S182 PolarHBondContact O-N 2.68Å
183	K	93.1	Very high	93.3	Very high	77 Å²	77	56.3 Å²	56.3	34%	0.335	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	146	178.8	-166.7	167.4	174.3	177.8	0	110.9	T172 M173 D220 L221 D222	T172-K183 CarbonylContact C-O 3.54Å; T172-K183 WeakPolarHBondContact CA-O 3.28Å; M173-K183 PolarHBondContact N-O 2.65Å; K183-D220 WeakPolarHBondContact CD-O 3.47Å; K183-D220 WeakPolarHBondContact CE-O 3.02Å; K183-D220 PolarHBondContact NZ-O 2.91Å; K183-L221 HydrophobicContact CB-CD1 4.02Å; K183-L221 HydrophobicContact CD-CB 4.5Å; K183-L221 HydrophobicContact CD-CD1 4.48Å; K183-L221 HydrophobicContact CG-CD1 4.12Å; K183-D222 IonicContact NZ-OD1 3.48Å; K183-D222 PolarHBondContact NZ-OD1 3.39Å; K183-D222 VanDerWaalsContact NZ-OD1 3.12Å
184	R	94	Very high	93.3	Very high	134 Å²	134	56.2 Å²	56.2	51%	0.506	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	133.8	175	174.9	175.3	179.1	-97.4	3.1	109.5	D146 T172	D146-R184 IonicContact OD1-CZ 3.07Å; D146-R184 IonicContact OD1-NE 3.4Å; D146-R184 PolarHBondContact OD1-NE 3.25Å; D146-R184 IonicContact OD1-NH2 2.64Å; D146-R184 PolarHBondContact OD1-NH2 3.21Å; T172-R184 HydrophobicContact CG2-CB 4.07Å; T172-R184 HydrophobicContact CG2-CG 3.87Å
185	I	95.7	Very high	93.4	Very high	38 Å²	38	56.2 Å²	56.2	20%	0.195	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.8	172.6	57.2	158.1	0	0	0	109.4	A170 V171 P187 F216 L221	A170-I185 CarbonylContact C-O 3.49Å; A170-I185 VanDerWaalsContact CA-O 3.26Å; A170-I185 WeakPolarHBondContact CA-O 3.17Å; V171-I185 HydrophobicContact CB-CD1 4.24Å; V171-I185 HydrophobicContact CB-CG1 3.93Å; V171-I185 PolarHBondContact N-O 3.09Å; V171-I185 WeakPolarHBondContact O-CG1 3.27Å; V171-I185 PolarHBondContact O-N 2.78Å; I185-P187 HydrophobicContact CD1-CB 4.29Å; I185-P187 HydrophobicContact CD1-CG 3.86Å; I185-P187 HydrophobicContact CG1-CG 4.32Å; I185-P187 WeakPolarHBondContact O-CD 3.48Å; I185-F216 HydrophobicContact CD1-CD1 4Å; I185-F216 HydrophobicContact CD1-CE1 3.57Å; I185-F216 HydrophobicContact CD1-CZ 4.26Å; I185-L221 HydrophobicContact CD1-CB 3.91Å; I185-L221 WeakPolarHBondContact CD1-O 3.44Å; I185-L221 HydrophobicContact CG1-CB 4.23Å; I185-L221 HydrophobicContact CG1-CD1 4.21Å; I185-L221 HydrophobicContact CG2-CB 4.5Å
186	T	94.9	Very high	93.5	Very high	93 Å²	93	55.2 Å²	55.2	57%	0.571	30%	0.299	S	S	*	.			trans	-122	72.9	175.3	50.9	0	0	0	0	110.3	A170	A170-T186 HydrophobicContact CB-CG2 3.93Å
187	P	93.7	Very high	93.6	Very high	30 Å²	30	56.3 Å²	56.3	20%	0.195	30%	0.304	C	S	.	.			trans	-79.3	-26.6	-173.5	30.1	-36.2	0	0	0	114.2	G169 V171 I185 K214 F216	G169-P187 WeakPolarHBondContact O-CD 3.45Å; V171-P187 HydrophobicContact CG2-CG 3.87Å; I185-P187 HydrophobicContact CD1-CB 4.29Å; I185-P187 HydrophobicContact CD1-CG 3.86Å; I185-P187 HydrophobicContact CG1-CG 4.32Å; I185-P187 WeakPolarHBondContact O-CD 3.48Å; P187-K214 HydrophobicContact CB-CD 3.94Å; P187-K214 VanDerWaalsContact O-CE 3.28Å; P187-K214 WeakPolarHBondContact O-CE 3.48Å; P187-F216 HydrophobicContact CB-CE1 3.93Å; P187-F216 HydrophobicContact CB-CZ 3.49Å; P187-F216 VanDerWaalsContact CB-CZ 3.49Å; P187-F216 HydrophobicContact CG-CE1 4.13Å; P187-F216 HydrophobicContact CG-CE2 4.39Å; P187-F216 HydrophobicContact CG-CZ 3.56Å
188	H	96	Very high	93.8	Very high	9 Å²	9	52.1 Å²	52.1	4%	0.042	27%	0.273	C	S	.	.			trans	-104.5	151.5	-178	-70.3	-78.4	0	0	0	111.8	G169 G190 T206 S208 D210 N212	G169-H188 PolarHBondContact O-N 3.25Å; H188-G190 WeakPolarHBondContact CB-O 3.43Å; H188-T206 PolarHBondContact NE2-OG1 2.82Å; H188-S208 WeakPolarHBondContact ND1-CB 3.19Å; H188-D210 VanDerWaalsContact CA-OD2 3.24Å; H188-D210 WeakPolarHBondContact CA-OD2 3.4Å; H188-D210 WeakPolarHBondContact CB-OD2 3.39Å; H188-D210 IonicContact CE1-OD1 2.6Å; H188-D210 IonicContact CG-OD2 2.97Å; H188-D210 IonicContact ND1-OD1 3.83Å; H188-D210 PolarHBondContact ND1-OD1 3.49Å; H188-D210 VanDerWaalsContact ND1-OD1 3.12Å; H188-D210 IonicContact ND1-OD2 2.94Å; H188-D210 PolarHBondContact ND1-OD2 3.42Å; H188-D210 VanDerWaalsContact ND1-OD2 3.15Å; H188-N212 PolarHBondContact CE1-O 3.27Å
189	K	94.1	Very high	93.7	Very high	202 Å²	202	54.5 Å²	54.5	88%	0.878	28%	0.28	S	S	*	.	S	Bend	trans	-92	-3.6	174.5	-64.5	-179	-179	175.9	0	113.2	D210	K189-D210 HydrophobicContact CB-CB 4.19Å; K189-D210 PolarHBondContact N-OD2 2.84Å
190	G	93.4	Very high	93.5	Very high	13 Å²	13	59.3 Å²	59.3	13%	0.134	31%	0.308	C	S	.	.	S	Bend	trans	-144.3	177.4	-179.3	0	0	0	0	0	110.6	G169 H188 V192 S208	G169-G190 WeakPolarHBondContact CA-O 3.3Å; H188-G190 WeakPolarHBondContact CB-O 3.43Å; G190-V192 PolarHBondContact O-N 3.09Å; G190-S208 PolarHBondContact O-OG 2.99Å; G190-S208 VanDerWaalsContact O-OG 3.09Å
191	P	95.2	Very high	93.2	Very high	44 Å²	44	56 Å²	56	29%	0.286	30%	0.297	S	S	.	.			trans	-60.4	134.7	-173.4	24.4	-35	0	0	0	111.5	E167 T193 S208 K209	E167-P191 HydrophobicContact CG-CB 4.21Å; E167-P191 WeakPolarHBondContact O-CA 3.23Å; E167-P191 WeakPolarHBondContact O-CB 3.29Å; P191-T193 PolarHBondContact O-N 3.08Å; P191-S208 WeakPolarHBondContact O-CA 3.5Å; P191-S208 WeakPolarHBondContact O-CB 3.37Å; P191-S208 PolarHBondContact O-OG 3.04Å; P191-K209 HydrophobicContact CG-CB 3.96Å; P191-K209 HydrophobicContact CG-CG 3.84Å; P191-K209 PolarHBondContact O-N 3.32Å
192	V	96.4	Very high	93.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.5	165.7	-177.6	0	0	0	0	106.8	T151 H166 V171 G190 M195 G207	T151-V192 WeakPolarHBondContact CB-O 3.49Å; T151-V192 PolarHBondContact OG1-O 2.97Å; H166-V192 PolarHBondContact O-N 2.86Å; H166-V192 VanDerWaalsContact O-N 3.13Å; V171-V192 HydrophobicContact CG2-CG2 4.38Å; G190-V192 PolarHBondContact O-N 3.09Å; V192-M195 HydrophobicContact CG1-CG 3.71Å; V192-M195 HydrophobicContact CG1-SD 4.16Å; V192-G207 CarbonylContact C-O 3.6Å; V192-G207 WeakPolarHBondContact CA-O 3.43Å
193	T	94.8	Very high	93.3	Very high	29 Å²	29	53.5 Å²	53.5	18%	0.178	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-32.3	-176.1	53.9	0	0	0	0	112.3	P191 G207 K209 I233 N234	P191-T193 PolarHBondContact O-N 3.08Å; T193-G207 PolarHBondContact N-O 3.49Å; T193-G207 PolarHBondContact OG1-O 2.79Å; T193-K209 HydrophobicContact CG2-CD 3.99Å; T193-K209 HydrophobicContact CG2-CG 3.64Å; T193-I233 PolarHBondContact OG1-O 3.28Å; T193-I233 VanDerWaalsContact OG1-O 3.09Å; T193-N234 WeakPolarHBondContact CB-O 3.17Å; T193-N234 WeakPolarHBondContact OG1-CA 3.29Å; T193-N234 PolarHBondContact OG1-O 2.94Å
194	D	95.6	Very high	93.5	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	151.8	-177.5	-174.2	13.2	0	0	0	110	R15 Q196 T206 G207 N234 S235	R15-D194 IonicContact CZ-OD1 3.43Å; R15-D194 IonicContact NH1-OD1 3.33Å; R15-D194 PolarHBondContact NH1-OD1 3.04Å; R15-D194 IonicContact NH1-OD2 3.81Å; R15-D194 PolarHBondContact NH1-OD2 3.24Å; R15-D194 IonicContact NH2-OD1 2.7Å; R15-D194 PolarHBondContact NH2-OD1 3.34Å; D194-Q196 PolarHBondContact OD2-NE2 3.09Å; D194-T206 WeakPolarHBondContact O-CA 3.36Å; D194-G207 PolarHBondContact O-N 3.27Å; D194-N234 VanDerWaalsContact CB-O 3.28Å; D194-N234 WeakPolarHBondContact CB-O 3.43Å; D194-S235 WeakPolarHBondContact OD2-CA 3.42Å; D194-S235 VanDerWaalsContact OD2-CB 3.28Å; D194-S235 WeakPolarHBondContact OD2-CB 3.12Å; D194-S235 PolarHBondContact OD2-OG 3.04Å
195	M	95.5	Very high	93.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139	167.7	-48.4	-171.8	-54.1	0	0	109.9	R15 G152 A153 I154 I163 G165 V192 I205 T206	R15-M195 PolarHBondContact NH2-O 3.28Å; G152-M195 VanDerWaalsContact O-CE 3.25Å; G152-M195 WeakPolarHBondContact O-CE 3.44Å; A153-M195 VanDerWaalsContact CA-CE 3.46Å; I154-M195 HydrophobicContact CD1-CB 4.16Å; I154-M195 HydrophobicContact CG1-CE 4.14Å; I154-M195 HydrophobicContact CG2-CB 4.15Å; I154-M195 HydrophobicContact CG2-CE 4.49Å; I154-M195 WeakPolarHBondContact CG2-O 3.28Å; I163-M195 HydrophobicContact CG2-CE 4.42Å; I163-M195 WeakPolarHBondContact O-CE 3.22Å; G165-M195 PolarHBondContact N-SD 2.92Å; G165-M195 VanDerWaalsContact N-SD 3.39Å; V192-M195 HydrophobicContact CG1-CG 3.71Å; V192-M195 HydrophobicContact CG1-SD 4.16Å; M195-I205 VanDerWaalsContact CA-O 3.25Å; M195-I205 WeakPolarHBondContact CA-O 3.5Å; M195-T206 HydrophobicContact CB-CG2 4.49Å; M195-T206 HydrophobicContact CG-CG2 3.92Å; M195-T206 HydrophobicContact SD-CG2 4.14Å
196	Q	95.9	Very high	93.7	Very high	29 Å²	29	41.7 Å²	41.7	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	132.4	177.3	-61	-170.5	22.7	0	0	110.4	D194 F204 I205 S235 A236 V292	D194-Q196 PolarHBondContact OD2-NE2 3.09Å; Q196-F204 CarbonylContact O-C 3.55Å; Q196-F204 VanDerWaalsContact O-CA 3.24Å; Q196-F204 WeakPolarHBondContact O-CA 3.46Å; Q196-F204 WeakPolarHBondContact O-CB 3.41Å; Q196-I205 HydrophobicContact CB-CG2 4.24Å; Q196-I205 PolarHBondContact N-O 2.99Å; Q196-I205 PolarHBondContact O-N 3.09Å; Q196-S235 PolarHBondContact NE2-OG 2.88Å; Q196-A236 WeakPolarHBondContact CG-O 3.28Å; Q196-A236 PolarHBondContact NE2-O 2.99Å; Q196-V292 PolarHBondContact NE2-O 2.87Å
197	M	94.8	Very high	93.8	Very high	33 Å²	33	37.2 Å²	37.2	16%	0.163	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	145.4	175.6	-164.2	72.3	165.2	0	0	110.1	Y103 I154 P157 M203 F204 A218	Y103-M197 WeakPolarHBondContact OH-CG 3.35Å; I154-M197 HydrophobicContact CD1-CB 4.29Å; I154-M197 HydrophobicContact CD1-SD 4.46Å; P157-M197 HydrophobicContact CB-CE 4.46Å; M197-M203 VanDerWaalsContact SD-O 3.37Å; M197-F204 HydrophobicContact SD-CB 3.78Å; M197-A218 HydrophobicContact CE-CB 3.51Å; M197-A218 HydrophobicContact SD-CB 3.94Å
198	H	93	Very high	93.9	Very high	16 Å²	16	35.8 Å²	35.8	7%	0.074	19%	0.191	C	C	.	.			trans	-68.9	144.1	167	-171.5	-109.1	0	0	0	110.4	T200 L201 M203 I238 S239	H198-T200 VanDerWaalsContact C-N 3.31Å; H198-T200 PolarHBondContact CE1-OG1 3.45Å; H198-T200 PolarHBondContact ND1-N 2.88Å; H198-T200 PolarHBondContact ND1-OG1 2.94Å; H198-T200 PolarHBondContact O-N 2.59Å; H198-L201 HydrophobicContact CB-CB 4.41Å; H198-L201 WeakPolarHBondContact ND1-CB 3.44Å; H198-L201 WeakPolarHBondContact ND1-CG 3.29Å; H198-L201 PolarHBondContact ND1-N 3.19Å; H198-M203 HydrophobicContact CB-CG 3.52Å; H198-M203 WeakPolarHBondContact CB-O 3.39Å; H198-M203 HydrophobicContact CB-SD 4.42Å; H198-M203 PolarHBondContact N-O 3.22Å; H198-I238 HydrophobicContact CB-CD1 3.98Å; H198-I238 VanDerWaalsContact CD2-CG2 3.44Å; H198-I238 WeakPolarHBondContact CD2-CG2 3.42Å; H198-S239 PolarHBondContact NE2-O 3.18Å
199	L	87.9	Confident	93.8	Very high	112 Å²	112	38.4 Å²	38.4	59%	0.586	20%	0.202	S	C	*	.	S	Bend	trans	-65.5	-33.1	-174.7	-67	-174.7	0	0	0	113.3	P240 P296	L199-P240 HydrophobicContact CB-CB 4.43Å; L199-P240 HydrophobicContact CD1-CB 3.57Å; L199-P240 HydrophobicContact CD1-CG 4.27Å; L199-P240 HydrophobicContact CG-CB 4.16Å; L199-P296 HydrophobicContact CD1-CB 3.91Å
200	T	84.5	Confident	93.8	Very high	108 Å²	108	30 Å²	30	66%	0.663	17%	0.166	S	C	*	.	S	Bend	trans	-123	-21.4	-170.4	60.3	0	0	0	0	114.4	H198	H198-T200 VanDerWaalsContact C-N 3.31Å; H198-T200 PolarHBondContact CE1-OG1 3.45Å; H198-T200 PolarHBondContact ND1-N 2.88Å; H198-T200 PolarHBondContact ND1-OG1 2.94Å; H198-T200 PolarHBondContact O-N 2.59Å
201	L	84.8	Confident	93.8	Very high	80 Å²	80	32.7 Å²	32.7	42%	0.419	18%	0.175	S	C	.	.	S	Bend	trans	-109.5	145.5	-174.2	-61.5	174.6	0	0	0	108.5	H198 M203	H198-L201 HydrophobicContact CB-CB 4.41Å; H198-L201 WeakPolarHBondContact ND1-CB 3.44Å; H198-L201 WeakPolarHBondContact ND1-CG 3.29Å; H198-L201 PolarHBondContact ND1-N 3.19Å; L201-M203 HydrophobicContact CB-CE 3.93Å; L201-M203 HydrophobicContact CB-CG 3.99Å; L201-M203 HydrophobicContact CB-SD 4.33Å; L201-M203 HydrophobicContact CD1-CE 3.58Å; L201-M203 HydrophobicContact CD1-SD 4.22Å; L201-M203 HydrophobicContact CG-CE 4.4Å; L201-M203 PolarHBondContact O-N 3.33Å
202	P	91.5	Very high	93.9	Very high	45 Å²	45	32 Å²	32	29%	0.292	17%	0.17	S	C	.	.	S	Bend	trans	-77	57.3	178.9	33.8	-35.9	0	0	0	110.5	A218 Y219	P202-A218 WeakPolarHBondContact O-CB 3.34Å; P202-A218 PolarHBondContact O-N 2.7Å; P202-Y219 HydrophobicContact CB-CD2 3.85Å; P202-Y219 HydrophobicContact CB-CE2 3.3Å; P202-Y219 HydrophobicContact CG-CD2 4.04Å; P202-Y219 HydrophobicContact CG-CE2 3.4Å; P202-Y219 VanDerWaalsContact CG-CE2 3.4Å
203	M	95	Very high	93.9	Very high	29 Å²	29	32 Å²	32	14%	0.143	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.6	177.1	66.7	178.7	58.8	0	0	109.8	M197 H198 L201 L215 F216 I238	M197-M203 VanDerWaalsContact SD-O 3.37Å; H198-M203 HydrophobicContact CB-CG 3.52Å; H198-M203 WeakPolarHBondContact CB-O 3.39Å; H198-M203 HydrophobicContact CB-SD 4.42Å; H198-M203 PolarHBondContact N-O 3.22Å; L201-M203 HydrophobicContact CB-CE 3.93Å; L201-M203 HydrophobicContact CB-CG 3.99Å; L201-M203 HydrophobicContact CB-SD 4.33Å; L201-M203 HydrophobicContact CD1-CE 3.58Å; L201-M203 HydrophobicContact CD1-SD 4.22Å; L201-M203 HydrophobicContact CG-CE 4.4Å; L201-M203 PolarHBondContact O-N 3.33Å; M203-L215 HydrophobicContact CB-CD1 4.32Å; M203-L215 HydrophobicContact CG-CD1 4.26Å; M203-L215 HydrophobicContact SD-CD1 3.99Å; M203-L215 HydrophobicContact SD-CD2 4.15Å; M203-L215 HydrophobicContact SD-CG 4.5Å; M203-F216 CarbonylContact C-O 3.59Å; M203-F216 WeakPolarHBondContact CA-O 3.49Å; M203-F216 WeakPolarHBondContact CB-O 3.26Å; M203-I238 HydrophobicContact CG-CD1 4.21Å; M203-I238 HydrophobicContact SD-CD1 4.45Å
204	F	96.5	Very high	94	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	152.7	174.8	67.7	-80.6	0	0	0	109.9	I154 I163 V171 Q196 M197 T206 F216 A218 L221	I154-F204 HydrophobicContact CD1-CB 3.66Å; I154-F204 HydrophobicContact CD1-CD2 4.04Å; I154-F204 HydrophobicContact CD1-CG 3.93Å; I163-F204 HydrophobicContact CD1-CD1 3.92Å; I163-F204 HydrophobicContact CD1-CE1 3.76Å; I163-F204 HydrophobicContact CD1-CZ 4.31Å; I163-F204 HydrophobicContact CG2-CE1 4.42Å; I163-F204 HydrophobicContact CG2-CE2 4.09Å; I163-F204 HydrophobicContact CG2-CZ 3.92Å; V171-F204 HydrophobicContact CG1-CE2 4.27Å; V171-F204 HydrophobicContact CG1-CZ 4.11Å; Q196-F204 CarbonylContact O-C 3.55Å; Q196-F204 VanDerWaalsContact O-CA 3.24Å; Q196-F204 WeakPolarHBondContact O-CA 3.46Å; Q196-F204 WeakPolarHBondContact O-CB 3.41Å; M197-F204 HydrophobicContact SD-CB 3.78Å; F204-T206 HydrophobicContact CD2-CG2 3.84Å; F204-T206 HydrophobicContact CE2-CG2 3.56Å; F204-F216 HydrophobicContact CD1-CB 3.94Å; F204-F216 HydrophobicContact CD2-CB 4.47Å; F204-F216 HydrophobicContact CD2-CD2 4.39Å; F204-F216 HydrophobicContact CE1-CB 3.37Å; F204-F216 HydrophobicContact CE1-CG 4.26Å; F204-F216 HydrophobicContact CE2-CB 3.97Å; F204-F216 AromaticContact CE2-CD2 3.73Å; F204-F216 HydrophobicContact CE2-CD2 3.73Å; F204-F216 HydrophobicContact CE2-CG 4.13Å; F204-F216 HydrophobicContact CG-CB 4.45Å; F204-F216 HydrophobicContact CZ-CB 3.38Å; F204-F216 AromaticContact CZ-CD2 3.87Å; F204-F216 HydrophobicContact CZ-CD2 3.87Å; F204-F216 AromaticContact CZ-CG 3.77Å; F204-F216 HydrophobicContact CZ-CG 3.77Å; F204-F216 PolarHBondContact N-O 3.03Å; F204-F216 PolarHBondContact O-N 2.98Å; F204-A218 HydrophobicContact CD1-CB 3.96Å; F204-A218 HydrophobicContact CE1-CB 4.45Å; F204-L221 HydrophobicContact CE1-CD2 3.81Å; F204-L221 HydrophobicContact CZ-CD2 3.71Å
205	I	97.3	Very high	94.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149	174	-165.5	164	0	0	0	109.8	M195 Q196 A213 K214 L215 Y227 A236 I238 V245 L247	M195-I205 VanDerWaalsContact CA-O 3.25Å; M195-I205 WeakPolarHBondContact CA-O 3.5Å; Q196-I205 HydrophobicContact CB-CG2 4.24Å; Q196-I205 PolarHBondContact N-O 2.99Å; Q196-I205 PolarHBondContact O-N 3.09Å; I205-A213 HydrophobicContact CD1-CB 4.41Å; I205-K214 WeakPolarHBondContact CA-O 3.48Å; I205-L215 HydrophobicContact CB-CD1 4.34Å; I205-Y227 HydrophobicContact CD1-CD2 4.27Å; I205-Y227 HydrophobicContact CD1-CE2 4.09Å; I205-A236 HydrophobicContact CD1-CB 3.89Å; I205-A236 HydrophobicContact CG1-CB 3.87Å; I205-A236 HydrophobicContact CG2-CB 3.97Å; I205-A236 VanDerWaalsContact CG2-O 3.32Å; I205-A236 WeakPolarHBondContact CG2-O 3.09Å; I205-I238 HydrophobicContact CB-CD1 3.95Å; I205-I238 HydrophobicContact CB-CG1 3.81Å; I205-I238 HydrophobicContact CD1-CG1 4.49Å; I205-I238 HydrophobicContact CG2-CD1 4.12Å; I205-I238 HydrophobicContact CG2-CG1 3.69Å; I205-V245 HydrophobicContact CD1-CB 4.38Å; I205-V245 HydrophobicContact CD1-CG1 3.27Å; I205-V245 HydrophobicContact CD1-CG2 4.18Å; I205-L247 HydrophobicContact CD1-CD2 4.24Å
206	T	97.3	Very high	94.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.7	173.9	58.1	0	0	0	0	109	V171 H188 D194 M195 F204 A213 K214 F216	V171-T206 HydrophobicContact CG2-CG2 4.49Å; H188-T206 PolarHBondContact NE2-OG1 2.82Å; D194-T206 WeakPolarHBondContact O-CA 3.36Å; M195-T206 HydrophobicContact CB-CG2 4.49Å; M195-T206 HydrophobicContact CG-CG2 3.92Å; M195-T206 HydrophobicContact SD-CG2 4.14Å; F204-T206 HydrophobicContact CD2-CG2 3.84Å; F204-T206 HydrophobicContact CE2-CG2 3.56Å; T206-A213 CarbonylContact O-C 3.59Å; T206-A213 WeakPolarHBondContact O-CA 3.41Å; T206-A213 VanDerWaalsContact O-CB 3.29Å; T206-A213 WeakPolarHBondContact O-CB 3.47Å; T206-K214 PolarHBondContact N-O 2.91Å; T206-K214 PolarHBondContact O-N 2.76Å; T206-K214 PolarHBondContact OG1-O 2.96Å; T206-K214 VanDerWaalsContact OG1-O 3.04Å; T206-F216 HydrophobicContact CG2-CD2 3.9Å; T206-F216 HydrophobicContact CG2-CE2 3.8Å; T206-F216 WeakPolarHBondContact OG1-CE2 3.4Å
207	G	96.2	Very high	94.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.7	166.2	0	0	0	0	0	110	V192 T193 D194	V192-G207 CarbonylContact C-O 3.6Å; V192-G207 WeakPolarHBondContact CA-O 3.43Å; T193-G207 PolarHBondContact N-O 3.49Å; T193-G207 PolarHBondContact OG1-O 2.79Å; D194-G207 PolarHBondContact O-N 3.27Å
208	S	96.6	Very high	94.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.1	176.6	178.8	0	0	0	0	112.4	H188 G190 P191 D210 H211 N212 I233	H188-S208 WeakPolarHBondContact ND1-CB 3.19Å; G190-S208 PolarHBondContact O-OG 2.99Å; G190-S208 VanDerWaalsContact O-OG 3.09Å; P191-S208 WeakPolarHBondContact O-CA 3.5Å; P191-S208 WeakPolarHBondContact O-CB 3.37Å; P191-S208 PolarHBondContact O-OG 3.04Å; S208-D210 VanDerWaalsContact CB-OD1 3.29Å; S208-D210 WeakPolarHBondContact CB-OD1 3.4Å; S208-D210 PolarHBondContact O-N 3.43Å; S208-D210 PolarHBondContact OG-N 2.72Å; S208-D210 PolarHBondContact OG-OD1 3.36Å; S208-H211 PolarHBondContact O-N 3.39Å; S208-N212 PolarHBondContact N-O 2.86Å; S208-I233 CarbonylContact C-O 3.57Å; S208-I233 VanDerWaalsContact C-O 3.27Å; S208-I233 PolarHBondContact O-N 2.89Å; S208-I233 VanDerWaalsContact O-N 3.1Å
209	K	93.7	Very high	94	Very high	64 Å²	64	36.4 Å²	36.4	28%	0.278	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10	169.9	-65	-65.1	-167.4	168.1	0	113.3	P191 T193 H211 P232 N234	P191-K209 HydrophobicContact CG-CB 3.96Å; P191-K209 HydrophobicContact CG-CG 3.84Å; P191-K209 PolarHBondContact O-N 3.32Å; T193-K209 HydrophobicContact CG2-CD 3.99Å; T193-K209 HydrophobicContact CG2-CG 3.64Å; K209-H211 PolarHBondContact O-N 2.85Å; K209-H211 VanDerWaalsContact O-N 3.16Å; K209-P232 HydrophobicContact CB-CB 4.37Å; K209-P232 HydrophobicContact CD-CB 3.61Å; K209-N234 VanDerWaalsContact CE-OD1 3.25Å; K209-N234 WeakPolarHBondContact CE-OD1 3.02Å; K209-N234 PolarHBondContact NZ-OD1 3.27Å
210	D	93.7	Very high	94.2	Very high	24 Å²	24	33.9 Å²	33.9	13%	0.128	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	13.2	176.2	81.4	-8.9	0	0	0	114.9	H188 K189 S208 N212	H188-D210 VanDerWaalsContact CA-OD2 3.24Å; H188-D210 WeakPolarHBondContact CA-OD2 3.4Å; H188-D210 WeakPolarHBondContact CB-OD2 3.39Å; H188-D210 IonicContact CE1-OD1 2.6Å; H188-D210 IonicContact CG-OD2 2.97Å; H188-D210 IonicContact ND1-OD1 3.83Å; H188-D210 PolarHBondContact ND1-OD1 3.49Å; H188-D210 VanDerWaalsContact ND1-OD1 3.12Å; H188-D210 IonicContact ND1-OD2 2.94Å; H188-D210 PolarHBondContact ND1-OD2 3.42Å; H188-D210 VanDerWaalsContact ND1-OD2 3.15Å; K189-D210 HydrophobicContact CB-CB 4.19Å; K189-D210 PolarHBondContact N-OD2 2.84Å; S208-D210 VanDerWaalsContact CB-OD1 3.29Å; S208-D210 WeakPolarHBondContact CB-OD1 3.4Å; S208-D210 PolarHBondContact O-N 3.43Å; S208-D210 PolarHBondContact OG-N 2.72Å; S208-D210 PolarHBondContact OG-OD1 3.36Å; D210-N212 PolarHBondContact O-N 3.48Å; D210-N212 PolarHBondContact O-ND2 2.83Å; D210-N212 VanDerWaalsContact OD1-CB 3.31Å; D210-N212 WeakPolarHBondContact OD1-CB 3.14Å; D210-N212 PolarHBondContact OD1-N 2.91Å; D210-N212 PolarHBondContact OD1-ND2 2.93Å
211	H	93.9	Very high	94.6	Very high	70 Å²	70	28.9 Å²	28.9	32%	0.324	14%	0.141	S	C	.	.	S	Bend	trans	73.5	1	-178.9	-50.5	-92.3	0	0	0	115.6	S208 K209 T229 E230 R231	S208-H211 PolarHBondContact O-N 3.39Å; K209-H211 PolarHBondContact O-N 2.85Å; K209-H211 VanDerWaalsContact O-N 3.16Å; H211-T229 WeakPolarHBondContact CB-O 3.23Å; H211-T229 PolarHBondContact O-N 3.25Å; H211-T229 PolarHBondContact O-OG1 3.42Å; H211-T229 VanDerWaalsContact O-OG1 3.07Å; H211-E230 PolarHBondContact ND1-O 3.09Å; H211-R231 VanDerWaalsContact ND1-CA 3.34Å; H211-R231 WeakPolarHBondContact ND1-CA 3.09Å; H211-R231 PolarHBondContact ND1-N 2.67Å; H211-R231 PolarHBondContact ND1-O 2.88Å
212	N	96.7	Very high	95	Very high	31 Å²	31	29 Å²	29	17%	0.166	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.7	180	-54.6	-59.2	0	0	0	111.8	H188 S208 D210 T226 Y227 T228	H188-N212 PolarHBondContact CE1-O 3.27Å; S208-N212 PolarHBondContact N-O 2.86Å; D210-N212 PolarHBondContact O-N 3.48Å; D210-N212 PolarHBondContact O-ND2 2.83Å; D210-N212 VanDerWaalsContact OD1-CB 3.31Å; D210-N212 WeakPolarHBondContact OD1-CB 3.14Å; D210-N212 PolarHBondContact OD1-N 2.91Å; D210-N212 PolarHBondContact OD1-ND2 2.93Å; N212-T226 HydrophobicContact CB-CG2 4.13Å; N212-Y227 CarbonylContact C-O 3.55Å; N212-Y227 WeakPolarHBondContact CA-O 3.35Å; N212-T228 PolarHBondContact OD1-OG1 2.83Å
213	A	97.1	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.8	158.9	0	0	0	0	0	108.4	I205 T206 Y227 I233 A236 L247	I205-A213 HydrophobicContact CD1-CB 4.41Å; T206-A213 CarbonylContact O-C 3.59Å; T206-A213 WeakPolarHBondContact O-CA 3.41Å; T206-A213 VanDerWaalsContact O-CB 3.29Å; T206-A213 WeakPolarHBondContact O-CB 3.47Å; A213-Y227 HydrophobicContact CB-CD2 4.25Å; A213-Y227 PolarHBondContact N-O 2.82Å; A213-Y227 WeakPolarHBondContact O-CD2 3.47Å; A213-Y227 PolarHBondContact O-N 3.27Å; A213-I233 HydrophobicContact CB-CD1 3.69Å; A213-A236 HydrophobicContact CB-CB 4.28Å; A213-L247 HydrophobicContact CB-CD1 4.09Å; A213-L247 HydrophobicContact CB-CD2 3.43Å; A213-L247 VanDerWaalsContact CB-CD2 3.43Å; A213-L247 HydrophobicContact CB-CG 4.42Å
214	K	97.3	Very high	95.2	Very high	30 Å²	30	32.3 Å²	32.3	13%	0.13	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.7	-176.3	-71.3	177.6	179	-74.4	0	110.6	P187 I205 T206 F216 R225 T226	P187-K214 HydrophobicContact CB-CD 3.94Å; P187-K214 VanDerWaalsContact O-CE 3.28Å; P187-K214 WeakPolarHBondContact O-CE 3.48Å; I205-K214 WeakPolarHBondContact CA-O 3.48Å; T206-K214 PolarHBondContact N-O 2.91Å; T206-K214 PolarHBondContact O-N 2.76Å; T206-K214 PolarHBondContact OG1-O 2.96Å; T206-K214 VanDerWaalsContact OG1-O 3.04Å; K214-F216 HydrophobicContact CB-CD2 4.25Å; K214-F216 HydrophobicContact CB-CE2 3.39Å; K214-F216 HydrophobicContact CB-CZ 3.58Å; K214-F216 HydrophobicContact CD-CZ 3.97Å; K214-F216 HydrophobicContact CG-CZ 4.42Å; K214-R225 WeakPolarHBondContact CA-O 3.25Å; K214-T226 HydrophobicContact CG-CG2 4.01Å; K214-T226 PolarHBondContact NZ-OG1 2.79Å
215	L	97	Very high	95.2	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.1	174.2	-174.1	72.4	0	0	0	109	M203 I205 I224 R225 Y227 I238 L273	M203-L215 HydrophobicContact CB-CD1 4.32Å; M203-L215 HydrophobicContact CG-CD1 4.26Å; M203-L215 HydrophobicContact SD-CD1 3.99Å; M203-L215 HydrophobicContact SD-CD2 4.15Å; M203-L215 HydrophobicContact SD-CG 4.5Å; I205-L215 HydrophobicContact CB-CD1 4.34Å; L215-I224 HydrophobicContact CD2-CB 4.22Å; L215-I224 HydrophobicContact CD2-CD1 4.35Å; L215-I224 HydrophobicContact CD2-CG2 4.37Å; L215-I224 HydrophobicContact CG-CB 4.39Å; L215-I224 HydrophobicContact CG-CD1 4.37Å; L215-I224 PolarHBondContact O-N 3.02Å; L215-R225 HydrophobicContact CB-CB 4.03Å; L215-R225 HydrophobicContact CD2-CB 4.46Å; L215-R225 HydrophobicContact CD2-CG 4.3Å; L215-R225 PolarHBondContact N-O 3.16Å; L215-R225 PolarHBondContact O-N 2.9Å; L215-Y227 HydrophobicContact CB-CE2 4.25Å; L215-I238 HydrophobicContact CD1-CD1 3.53Å; L215-I238 HydrophobicContact CD1-CG1 4.28Å; L215-L273 HydrophobicContact CD1-CD1 4.33Å; L215-L273 HydrophobicContact CD2-CD1 3.77Å; L215-L273 HydrophobicContact CD2-CG 4.31Å
216	F	96.9	Very high	95.2	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.5	-178.5	-65.2	-83.8	0	0	0	111.5	I185 P187 M203 F204 T206 K214 L221 D222 C223	I185-F216 HydrophobicContact CD1-CD1 4Å; I185-F216 HydrophobicContact CD1-CE1 3.57Å; I185-F216 HydrophobicContact CD1-CZ 4.26Å; P187-F216 HydrophobicContact CB-CE1 3.93Å; P187-F216 HydrophobicContact CB-CZ 3.49Å; P187-F216 VanDerWaalsContact CB-CZ 3.49Å; P187-F216 HydrophobicContact CG-CE1 4.13Å; P187-F216 HydrophobicContact CG-CE2 4.39Å; P187-F216 HydrophobicContact CG-CZ 3.56Å; M203-F216 CarbonylContact C-O 3.59Å; M203-F216 WeakPolarHBondContact CA-O 3.49Å; M203-F216 WeakPolarHBondContact CB-O 3.26Å; F204-F216 HydrophobicContact CD1-CB 3.94Å; F204-F216 HydrophobicContact CD2-CB 4.47Å; F204-F216 HydrophobicContact CD2-CD2 4.39Å; F204-F216 HydrophobicContact CE1-CB 3.37Å; F204-F216 HydrophobicContact CE1-CG 4.26Å; F204-F216 HydrophobicContact CE2-CB 3.97Å; F204-F216 AromaticContact CE2-CD2 3.73Å; F204-F216 HydrophobicContact CE2-CD2 3.73Å; F204-F216 HydrophobicContact CE2-CG 4.13Å; F204-F216 HydrophobicContact CG-CB 4.45Å; F204-F216 HydrophobicContact CZ-CB 3.38Å; F204-F216 AromaticContact CZ-CD2 3.87Å; F204-F216 HydrophobicContact CZ-CD2 3.87Å; F204-F216 AromaticContact CZ-CG 3.77Å; F204-F216 HydrophobicContact CZ-CG 3.77Å; F204-F216 PolarHBondContact N-O 3.03Å; F204-F216 PolarHBondContact O-N 2.98Å; T206-F216 HydrophobicContact CG2-CD2 3.9Å; T206-F216 HydrophobicContact CG2-CE2 3.8Å; T206-F216 WeakPolarHBondContact OG1-CE2 3.4Å; K214-F216 HydrophobicContact CB-CD2 4.25Å; K214-F216 HydrophobicContact CB-CE2 3.39Å; K214-F216 HydrophobicContact CB-CZ 3.58Å; K214-F216 HydrophobicContact CD-CZ 3.97Å; K214-F216 HydrophobicContact CG-CZ 4.42Å; F216-L221 WeakPolarHBondContact CD1-O 3.23Å; F216-D222 VanDerWaalsContact CA-O 3.29Å; F216-D222 WeakPolarHBondContact CA-O 3.42Å; F216-C223 HydrophobicContact CD1-CB 4Å; F216-C223 HydrophobicContact CE1-CB 3.65Å; F216-C223 HydrophobicContact CZ-CB 4.49Å
217	S	95.4	Very high	95.1	Very high	21 Å²	21	38.4 Å²	38.4	15%	0.147	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.9	162.2	153.6	0	0	0	0	109.6	Y219 D220 L221 D222	S217-Y219 VanDerWaalsContact C-N 3.31Å; S217-Y219 PolarHBondContact O-N 2.92Å; S217-D220 WeakPolarHBondContact CB-OD1 3.39Å; S217-D220 PolarHBondContact OG-OD1 3.37Å; S217-L221 WeakPolarHBondContact O-CA 3.41Å; S217-L221 PolarHBondContact O-N 3.06Å; S217-D222 PolarHBondContact N-O 3.25Å
218	A	93.4	Very high	95.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-9	-174.8	0	0	0	0	0	113.8	P157 I163 M173 M197 P202 F204	P157-A218 HydrophobicContact CG-CB 4.25Å; I163-A218 HydrophobicContact CD1-CB 4.22Å; M173-A218 WeakPolarHBondContact CE-O 3.27Å; M197-A218 HydrophobicContact CE-CB 3.51Å; M197-A218 HydrophobicContact SD-CB 3.94Å; P202-A218 WeakPolarHBondContact O-CB 3.34Å; P202-A218 PolarHBondContact O-N 2.7Å; F204-A218 HydrophobicContact CD1-CB 3.96Å; F204-A218 HydrophobicContact CE1-CB 4.45Å
219	Y	91.9	Very high	94.9	Very high	146 Å²	146	43.2 Å²	43.2	57%	0.573	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-43.3	176.9	-69.5	-62.2	0	0	0	112.4	P157 P202 S217	P157-Y219 HydrophobicContact CB-CE1 3.99Å; P157-Y219 HydrophobicContact CG-CD1 3.78Å; P157-Y219 HydrophobicContact CG-CE1 3.45Å; P157-Y219 VanDerWaalsContact CG-CE1 3.45Å; P202-Y219 HydrophobicContact CB-CD2 3.85Å; P202-Y219 HydrophobicContact CB-CE2 3.3Å; P202-Y219 HydrophobicContact CG-CD2 4.04Å; P202-Y219 HydrophobicContact CG-CE2 3.4Å; P202-Y219 VanDerWaalsContact CG-CE2 3.4Å; S217-Y219 VanDerWaalsContact C-N 3.31Å; S217-Y219 PolarHBondContact O-N 2.92Å
220	D	91.2	Very high	94.6	Very high	59 Å²	59	47 Å²	47	32%	0.316	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-8	-172.9	52.1	16.4	0	0	0	112.9	K183 S217 D222	K183-D220 WeakPolarHBondContact CD-O 3.47Å; K183-D220 WeakPolarHBondContact CE-O 3.02Å; K183-D220 PolarHBondContact NZ-O 2.91Å; S217-D220 WeakPolarHBondContact CB-OD1 3.39Å; S217-D220 PolarHBondContact OG-OD1 3.37Å; D220-D222 PolarHBondContact O-N 2.97Å; D220-D222 PolarHBondContact OD1-N 2.8Å
221	L	93.3	Very high	94.4	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	25%	0.246	C	C	.	.			trans	60.2	23.4	-171.1	-51.3	178	0	0	0	113.4	I163 V171 M173 K183 I185 F204 F216 S217	I163-L221 HydrophobicContact CD1-CD2 4.36Å; I163-L221 HydrophobicContact CG2-CD2 4.21Å; V171-L221 HydrophobicContact CG1-CD2 4.18Å; M173-L221 HydrophobicContact CB-CD1 3.99Å; M173-L221 HydrophobicContact CB-CG 4.49Å; M173-L221 HydrophobicContact CE-CD1 4.47Å; M173-L221 HydrophobicContact CE-CD2 3.65Å; M173-L221 HydrophobicContact CE-CG 3.76Å; K183-L221 HydrophobicContact CB-CD1 4.02Å; K183-L221 HydrophobicContact CD-CB 4.5Å; K183-L221 HydrophobicContact CD-CD1 4.48Å; K183-L221 HydrophobicContact CG-CD1 4.12Å; I185-L221 HydrophobicContact CD1-CB 3.91Å; I185-L221 WeakPolarHBondContact CD1-O 3.44Å; I185-L221 HydrophobicContact CG1-CB 4.23Å; I185-L221 HydrophobicContact CG1-CD1 4.21Å; I185-L221 HydrophobicContact CG2-CB 4.5Å; F204-L221 HydrophobicContact CE1-CD2 3.81Å; F204-L221 HydrophobicContact CZ-CD2 3.71Å; F216-L221 WeakPolarHBondContact CD1-O 3.23Å; S217-L221 WeakPolarHBondContact O-CA 3.41Å; S217-L221 PolarHBondContact O-N 3.06Å
222	D	94.3	Very high	94.4	Very high	83 Å²	83	47 Å²	47	44%	0.444	23%	0.233	S	C	.	.			trans	-76.4	133.2	177.2	-72.1	-1.4	0	0	0	109.8	K183 F216 S217 D220 I224	K183-D222 IonicContact NZ-OD1 3.48Å; K183-D222 PolarHBondContact NZ-OD1 3.39Å; K183-D222 VanDerWaalsContact NZ-OD1 3.12Å; F216-D222 VanDerWaalsContact CA-O 3.29Å; F216-D222 WeakPolarHBondContact CA-O 3.42Å; S217-D222 PolarHBondContact N-O 3.25Å; D220-D222 PolarHBondContact O-N 2.97Å; D220-D222 PolarHBondContact OD1-N 2.8Å; D222-I224 PolarHBondContact O-N 3.36Å
223	C	95.1	Very high	94.3	Very high	65 Å²	65	45.7 Å²	45.7	44%	0.439	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	114	-179.5	-174.3	0	0	0	0	109.5	F216	F216-C223 HydrophobicContact CD1-CB 4Å; F216-C223 HydrophobicContact CE1-CB 3.65Å; F216-C223 HydrophobicContact CZ-CB 4.49Å
224	I	95	Very high	94.2	Very high	79 Å²	79	46.3 Å²	46.3	41%	0.405	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-48.8	-179.3	-49.1	177.8	0	0	0	110.2	L215 D222	L215-I224 HydrophobicContact CD2-CB 4.22Å; L215-I224 HydrophobicContact CD2-CD1 4.35Å; L215-I224 HydrophobicContact CD2-CG2 4.37Å; L215-I224 HydrophobicContact CG-CB 4.39Å; L215-I224 HydrophobicContact CG-CD1 4.37Å; L215-I224 PolarHBondContact O-N 3.02Å; D222-I224 PolarHBondContact O-N 3.36Å
225	R	95.6	Very high	94.2	Very high	89 Å²	89	44.9 Å²	44.9	34%	0.336	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153	-173.3	-62.2	-65.1	176.9	-176.9	5.3	112.4	K214 L215 Y227 I274 E276	K214-R225 WeakPolarHBondContact CA-O 3.25Å; L215-R225 HydrophobicContact CB-CB 4.03Å; L215-R225 HydrophobicContact CD2-CB 4.46Å; L215-R225 HydrophobicContact CD2-CG 4.3Å; L215-R225 PolarHBondContact N-O 3.16Å; L215-R225 PolarHBondContact O-N 2.9Å; R225-Y227 HydrophobicContact CB-CE2 4.2Å; R225-I274 PolarHBondContact NE-O 3.47Å; R225-I274 PolarHBondContact NH2-O 3.03Å; R225-E276 VanDerWaalsContact CA-OE1 3.23Å; R225-E276 WeakPolarHBondContact CA-OE1 3.43Å; R225-E276 HydrophobicContact CB-CG 4.28Å; R225-E276 VanDerWaalsContact CB-OE1 3.31Å; R225-E276 WeakPolarHBondContact CB-OE1 3.41Å; R225-E276 WeakPolarHBondContact CD-OE1 3.43Å; R225-E276 HydrophobicContact CG-CG 4.46Å; R225-E276 IonicContact NH1-OE1 3.31Å
226	T	96.9	Very high	94.2	Very high	37 Å²	37	44.7 Å²	44.7	23%	0.227	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	117.7	174.5	-58.9	0	0	0	0	110.8	N212 K214 E276	N212-T226 HydrophobicContact CB-CG2 4.13Å; K214-T226 HydrophobicContact CG-CG2 4.01Å; K214-T226 PolarHBondContact NZ-OG1 2.79Å; T226-E276 PolarHBondContact N-OE1 3.17Å
227	Y	96.5	Very high	94.2	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.4	174.5	-46	-80.7	0	0	0	109	I205 N212 A213 L215 R225 V245 Y271 L273 E276	I205-Y227 HydrophobicContact CD1-CD2 4.27Å; I205-Y227 HydrophobicContact CD1-CE2 4.09Å; N212-Y227 CarbonylContact C-O 3.55Å; N212-Y227 WeakPolarHBondContact CA-O 3.35Å; A213-Y227 HydrophobicContact CB-CD2 4.25Å; A213-Y227 PolarHBondContact N-O 2.82Å; A213-Y227 WeakPolarHBondContact O-CD2 3.47Å; A213-Y227 PolarHBondContact O-N 3.27Å; L215-Y227 HydrophobicContact CB-CE2 4.25Å; R225-Y227 HydrophobicContact CB-CE2 4.2Å; Y227-V245 HydrophobicContact CD2-CG1 4.34Å; Y227-V245 HydrophobicContact CE1-CG2 4.4Å; Y227-V245 HydrophobicContact CE2-CG1 4.26Å; Y227-V245 HydrophobicContact CE2-CG2 4.03Å; Y227-Y271 AromaticContact CD1-CD1 3.88Å; Y227-Y271 HydrophobicContact CD1-CD1 3.88Å; Y227-Y271 HydrophobicContact CD1-CG 4.02Å; Y227-Y271 HydrophobicContact CG-CD1 4.49Å; Y227-L273 WeakPolarHBondContact OH-CA 3.4Å; Y227-L273 PolarHBondContact OH-O 3.36Å; Y227-E276 HydrophobicContact CD1-CB 4.25Å; Y227-E276 HydrophobicContact CD1-CG 4.43Å; Y227-E276 HydrophobicContact CE1-CB 4.35Å; Y227-E276 HydrophobicContact CE1-CG 4.18Å
228	T	95	Very high	94.2	Very high	90 Å²	90	44.3 Å²	44.3	55%	0.552	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.8	-177.9	-53.8	0	0	0	0	109.8	N212 Y271	N212-T228 PolarHBondContact OD1-OG1 2.83Å; T228-Y271 PolarHBondContact O-OH 3.32Å
229	T	92.5	Very high	94.3	Very high	12 Å²	12	44.3 Å²	44.3	7%	0.074	22%	0.219	C	C	.	.			trans	-123.8	167.3	177.8	66.3	0	0	0	0	111.3	H211 R231 I233 L247 Y271	H211-T229 WeakPolarHBondContact CB-O 3.23Å; H211-T229 PolarHBondContact O-N 3.25Å; H211-T229 PolarHBondContact O-OG1 3.42Å; H211-T229 VanDerWaalsContact O-OG1 3.07Å; T229-R231 VanDerWaalsContact C-N 3.27Å; T229-R231 PolarHBondContact O-N 3.4Å; T229-R231 PolarHBondContact OG1-O 2.73Å; T229-I233 HydrophobicContact CG2-CD1 3.9Å; T229-I233 HydrophobicContact CG2-CG1 4.32Å; T229-L247 HydrophobicContact CG2-CD1 3.88Å; T229-Y271 HydrophobicContact CG2-CE2 4.18Å
230	E	88.6	Confident	94.3	Very high	142 Å²	142	38.4 Å²	38.4	66%	0.664	20%	0.198	S	C	*	.	S	Bend	trans	-77.5	-12.1	177	-63.9	174.1	-176.9	0	0	113.2	H211	H211-E230 PolarHBondContact ND1-O 3.09Å
231	R	89.3	Confident	94.2	Very high	86 Å²	86	39.6 Å²	39.6	33%	0.325	20%	0.204	S	C	.	.	S	Bend	trans	-134.8	157.4	-168.3	-64.7	-62.7	-177.8	172.1	1.5	111.1	H211 T229 I233	H211-R231 VanDerWaalsContact ND1-CA 3.34Å; H211-R231 WeakPolarHBondContact ND1-CA 3.09Å; H211-R231 PolarHBondContact ND1-N 2.67Å; H211-R231 PolarHBondContact ND1-O 2.88Å; T229-R231 VanDerWaalsContact C-N 3.27Å; T229-R231 PolarHBondContact O-N 3.4Å; T229-R231 PolarHBondContact OG1-O 2.73Å; R231-I233 PolarHBondContact O-N 2.93Å
232	P	93.1	Very high	93.9	Very high	9 Å²	9	40.8 Å²	40.8	6%	0.058	21%	0.209	C	C	.	.			trans	-60.1	138.4	178.3	-23.2	34.3	0	0	0	111.1	K209 G249 G250 Q251	K209-P232 HydrophobicContact CB-CB 4.37Å; K209-P232 HydrophobicContact CD-CB 3.61Å; P232-G249 WeakPolarHBondContact O-CA 2.98Å; P232-G250 PolarHBondContact O-N 2.96Å; P232-Q251 VanDerWaalsContact CG-OE1 3.22Å
233	I	95	Very high	93.8	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.8	177.5	-58.6	175.2	0	0	0	107.5	T193 S208 A213 T229 R231 L247	T193-I233 PolarHBondContact OG1-O 3.28Å; T193-I233 VanDerWaalsContact OG1-O 3.09Å; S208-I233 CarbonylContact C-O 3.57Å; S208-I233 VanDerWaalsContact C-O 3.27Å; S208-I233 PolarHBondContact O-N 2.89Å; S208-I233 VanDerWaalsContact O-N 3.1Å; A213-I233 HydrophobicContact CB-CD1 3.69Å; T229-I233 HydrophobicContact CG2-CD1 3.9Å; T229-I233 HydrophobicContact CG2-CG1 4.32Å; R231-I233 PolarHBondContact O-N 2.93Å; I233-L247 HydrophobicContact CD1-CD1 4.1Å
234	N	95.2	Very high	93.7	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.064	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-35	176.3	-65.3	-26	0	0	0	111.2	T193 D194 K209 G248 V289 N290	T193-N234 WeakPolarHBondContact CB-O 3.17Å; T193-N234 WeakPolarHBondContact OG1-CA 3.29Å; T193-N234 PolarHBondContact OG1-O 2.94Å; D194-N234 VanDerWaalsContact CB-O 3.28Å; D194-N234 WeakPolarHBondContact CB-O 3.43Å; K209-N234 VanDerWaalsContact CE-OD1 3.25Å; K209-N234 WeakPolarHBondContact CE-OD1 3.02Å; K209-N234 PolarHBondContact NZ-OD1 3.27Å; N234-G248 PolarHBondContact N-O 2.98Å; N234-V289 VanDerWaalsContact CB-O 3.27Å; N234-V289 WeakPolarHBondContact CB-O 3.34Å; N234-V289 PolarHBondContact ND2-O 2.92Å; N234-N290 PolarHBondContact ND2-OD1 3.15Å
235	S	96.7	Very high	93.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	145.4	-177.3	179.6	0	0	0	0	111.3	D194 Q196 G248 N290 V292	D194-S235 WeakPolarHBondContact OD2-CA 3.42Å; D194-S235 VanDerWaalsContact OD2-CB 3.28Å; D194-S235 WeakPolarHBondContact OD2-CB 3.12Å; D194-S235 PolarHBondContact OD2-OG 3.04Å; Q196-S235 PolarHBondContact NE2-OG 2.88Å; S235-G248 PolarHBondContact N-O 3.05Å; S235-G248 PolarHBondContact O-N 3.44Å; S235-G248 VanDerWaalsContact O-O 3.1Å; S235-N290 WeakPolarHBondContact CB-O 3.45Å; S235-V292 WeakPolarHBondContact OG-CG2 3.47Å; S235-V292 PolarHBondContact OG-N 3.33Å
236	A	97.1	Very high	93.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	135.6	-179.1	0	0	0	0	0	109.3	Q196 I205 A213 L246 L247	Q196-A236 WeakPolarHBondContact CG-O 3.28Å; Q196-A236 PolarHBondContact NE2-O 2.99Å; I205-A236 HydrophobicContact CD1-CB 3.89Å; I205-A236 HydrophobicContact CG1-CB 3.87Å; I205-A236 HydrophobicContact CG2-CB 3.97Å; I205-A236 VanDerWaalsContact CG2-O 3.32Å; I205-A236 WeakPolarHBondContact CG2-O 3.09Å; A213-A236 HydrophobicContact CB-CB 4.28Å; A236-L246 CarbonylContact C-O 3.53Å; A236-L246 WeakPolarHBondContact CA-O 3.41Å; A236-L247 HydrophobicContact CB-CD2 3.55Å
237	A	97	Very high	93.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.5	-179.9	0	0	0	0	0	110.8	L246 V292 F294	A237-L246 HydrophobicContact CB-CB 4.5Å; A237-L246 PolarHBondContact N-O 3.27Å; A237-L246 PolarHBondContact O-N 3.47Å; A237-V292 HydrophobicContact CB-CG2 3.93Å; A237-F294 HydrophobicContact CB-CD2 3.74Å; A237-F294 HydrophobicContact CB-CE2 4.14Å
238	I	96.1	Very high	93.7	Very high	14 Å²	14	27.9 Å²	27.9	7%	0.072	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.6	177.4	-50.1	165.9	0	0	0	108.1	H198 M203 I205 L215 L273 F294	H198-I238 HydrophobicContact CB-CD1 3.98Å; H198-I238 VanDerWaalsContact CD2-CG2 3.44Å; H198-I238 WeakPolarHBondContact CD2-CG2 3.42Å; M203-I238 HydrophobicContact CG-CD1 4.21Å; M203-I238 HydrophobicContact SD-CD1 4.45Å; I205-I238 HydrophobicContact CB-CD1 3.95Å; I205-I238 HydrophobicContact CB-CG1 3.81Å; I205-I238 HydrophobicContact CD1-CG1 4.49Å; I205-I238 HydrophobicContact CG2-CD1 4.12Å; I205-I238 HydrophobicContact CG2-CG1 3.69Å; L215-I238 HydrophobicContact CD1-CD1 3.53Å; L215-I238 HydrophobicContact CD1-CG1 4.28Å; I238-L273 HydrophobicContact CG2-CD1 3.99Å; I238-F294 VanDerWaalsContact O-CD2 3.28Å; I238-F294 WeakPolarHBondContact O-CD2 3.47Å
239	S	94.5	Very high	93.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.			trans	-67.5	135.4	175.1	-177	0	0	0	0	110	H198 N241 R242 H244 F294	H198-S239 PolarHBondContact NE2-O 3.18Å; S239-N241 PolarHBondContact OG-OD1 3.5Å; S239-R242 WeakPolarHBondContact CB-O 3.45Å; S239-H244 WeakPolarHBondContact CB-O 3.35Å; S239-H244 PolarHBondContact N-O 2.54Å; S239-F294 VanDerWaalsContact N-CE2 3.34Å
240	P	92.2	Very high	93.3	Very high	22 Å²	22	23.3 Å²	23.3	14%	0.143	12%	0.115	C	C	.	.	S	Bend	trans	-80.1	-21.9	-174.4	31.2	-36.5	0	0	0	114.2	L199 S295 P296	L199-P240 HydrophobicContact CB-CB 4.43Å; L199-P240 HydrophobicContact CD1-CB 3.57Å; L199-P240 HydrophobicContact CD1-CG 4.27Å; L199-P240 HydrophobicContact CG-CB 4.16Å; P240-S295 WeakPolarHBondContact CG-O 3.28Å; P240-P296 VanDerWaalsContact CG-O 3.28Å; P240-P296 WeakPolarHBondContact CG-O 3.27Å
241	N	88.4	Confident	92.9	Very high	83 Å²	83	18.7 Å²	18.7	44%	0.444	9%	0.093	S	C	.	.	S	Bend	trans	-116.6	-4.5	-173.5	63.7	-1.4	0	0	0	113.5	S239 D297 G298	S239-N241 PolarHBondContact OG-OD1 3.5Å; N241-D297 PolarHBondContact ND2-O 3.29Å; N241-G298 WeakPolarHBondContact ND2-CA 3.24Å; N241-G298 PolarHBondContact ND2-O 3.14Å
242	R	88.5	Confident	92.1	Very high	28 Å²	28	18 Å²	18	11%	0.106	9%	0.094	C	C	.	.	S	Bend	trans	-142.2	160.6	-176.7	-65	-176.3	-155.4	-160.7	7.7	112.1	S239 H244 Y319 N320	S239-R242 WeakPolarHBondContact CB-O 3.45Å; R242-H244 PolarHBondContact O-N 3.48Å; R242-Y319 VanDerWaalsContact CZ-CD1 3.48Å; R242-Y319 VanDerWaalsContact CZ-CE1 3.42Å; R242-Y319 VanDerWaalsContact NH1-CE1 3.29Å; R242-Y319 PolarHBondContact NH1-O 3.06Å; R242-N320 PolarHBondContact NH2-OD1 2.9Å
243	D	91.5	Very high	90.6	Very high	77 Å²	77	21 Å²	21	41%	0.412	12%	0.119	S	C	.	.	S	Bend	trans	-78.1	51.3	175.7	-68.1	-30.4	0	0	0	111.8	H272 L273 I274	D243-H272 CarbonylContact O-C 3.57Å; D243-L273 HydrophobicContact CB-CB 4.01Å; D243-L273 HydrophobicContact CB-CD2 4.44Å; D243-L273 VanDerWaalsContact O-CB 3.23Å; D243-L273 WeakPolarHBondContact O-CB 3.49Å; D243-L273 PolarHBondContact O-N 3.09Å; D243-I274 HydrophobicContact CB-CG1 4.49Å; D243-I274 WeakPolarHBondContact OD2-CD1 3.42Å
244	H	93.7	Very high	89.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.9	-178.5	-60.2	159.8	0	0	0	112.3	S239 R242 Y271 F279 Y319 D323	S239-H244 WeakPolarHBondContact CB-O 3.35Å; S239-H244 PolarHBondContact N-O 2.54Å; R242-H244 PolarHBondContact O-N 3.48Å; H244-Y271 CarbonylContact C-O 3.55Å; H244-Y271 WeakPolarHBondContact CA-O 3.18Å; H244-F279 HydrophobicContact CB-CE1 4.34Å; H244-F279 HydrophobicContact CB-CZ 4.13Å; H244-F279 AromaticContact CD2-CE1 3.45Å; H244-F279 VanDerWaalsContact CD2-CE1 3.45Å; H244-F279 WeakPolarHBondContact CD2-CE1 3.5Å; H244-F279 AromaticContact CD2-CZ 3.48Å; H244-F279 VanDerWaalsContact CD2-CZ 3.48Å; H244-F279 WeakPolarHBondContact CD2-CZ 3.25Å; H244-F279 AromaticContact CE1-CZ 3.75Å; H244-F279 AromaticContact CG-CE1 3.86Å; H244-F279 AromaticContact CG-CZ 3.52Å; H244-F279 AromaticContact ND1-CZ 3.67Å; H244-F279 AromaticContact NE2-CE1 3.85Å; H244-F279 AromaticContact NE2-CZ 3.62Å; H244-Y319 AromaticContact ND1-CZ 3.56Å; H244-Y319 PolarHBondContact ND1-OH 2.88Å; H244-D323 IonicContact CE1-OD1 2.97Å; H244-D323 PolarHBondContact CE1-OD1 3.33Å; H244-D323 IonicContact NE2-OD1 3.8Å
245	V	95.5	Very high	87.6	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.3	176.2	171.4	0	0	0	0	109.3	I205 Y227 L247 F270 Y271 L273	I205-V245 HydrophobicContact CD1-CB 4.38Å; I205-V245 HydrophobicContact CD1-CG1 3.27Å; I205-V245 HydrophobicContact CD1-CG2 4.18Å; Y227-V245 HydrophobicContact CD2-CG1 4.34Å; Y227-V245 HydrophobicContact CE1-CG2 4.4Å; Y227-V245 HydrophobicContact CE2-CG1 4.26Å; Y227-V245 HydrophobicContact CE2-CG2 4.03Å; V245-L247 HydrophobicContact CG1-CD2 3.59Å; V245-L247 HydrophobicContact CG1-CG 4.04Å; V245-F270 WeakPolarHBondContact O-CA 3.22Å; V245-Y271 PolarHBondContact N-O 3.18Å; V245-Y271 PolarHBondContact O-N 3.43Å; V245-L273 HydrophobicContact CG2-CB 4.3Å; V245-L273 HydrophobicContact CG2-CD1 3.44Å; V245-L273 VanDerWaalsContact CG2-CD1 3.44Å; V245-L273 HydrophobicContact CG2-CG 4.48Å
246	L	96.5	Very high	85.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.1	177.4	-170.6	68.7	0	0	0	110.2	A236 A237 V268 F270 V292 F294 F301	A236-L246 CarbonylContact C-O 3.53Å; A236-L246 WeakPolarHBondContact CA-O 3.41Å; A237-L246 HydrophobicContact CB-CB 4.5Å; A237-L246 PolarHBondContact N-O 3.27Å; A237-L246 PolarHBondContact O-N 3.47Å; L246-V268 HydrophobicContact CD1-CG1 3.31Å; L246-V268 HydrophobicContact CD2-CG1 4.22Å; L246-V268 HydrophobicContact CG-CG1 3.7Å; L246-F270 HydrophobicContact CD1-CD1 4.03Å; L246-F270 HydrophobicContact CD1-CD2 3.83Å; L246-F270 HydrophobicContact CD1-CE1 3.69Å; L246-F270 HydrophobicContact CD1-CE2 3.45Å; L246-F270 VanDerWaalsContact CD1-CE2 3.45Å; L246-F270 HydrophobicContact CD1-CG 4.1Å; L246-F270 HydrophobicContact CD1-CZ 3.38Å; L246-V292 HydrophobicContact CD2-CB 3.82Å; L246-V292 HydrophobicContact CD2-CG1 4.32Å; L246-V292 HydrophobicContact CD2-CG2 4.27Å; L246-V292 HydrophobicContact CG-CB 4.29Å; L246-V292 HydrophobicContact CG-CG2 4.34Å; L246-F294 HydrophobicContact CB-CD2 4.32Å; L246-F294 HydrophobicContact CB-CE2 3.36Å; L246-F294 HydrophobicContact CB-CZ 3.55Å; L246-F294 HydrophobicContact CD2-CE2 4.29Å; L246-F294 HydrophobicContact CD2-CZ 4.29Å; L246-F294 HydrophobicContact CG-CE2 4.44Å; L246-F294 HydrophobicContact CG-CZ 4.41Å; L246-F301 HydrophobicContact CD1-CD2 4.4Å; L246-F301 HydrophobicContact CD1-CE2 4.29Å; L246-F301 HydrophobicContact CD2-CB 3.94Å; L246-F301 HydrophobicContact CD2-CD2 3.38Å; L246-F301 HydrophobicContact CD2-CE2 4.01Å; L246-F301 HydrophobicContact CD2-CG 3.82Å
247	L	96.9	Very high	83.6	Confident	3 Å²	3	38 Å²	38	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.6	180	-54.1	-178.9	0	0	0	110	I205 A213 T229 I233 A236 V245 R269 Y271	I205-L247 HydrophobicContact CD1-CD2 4.24Å; A213-L247 HydrophobicContact CB-CD1 4.09Å; A213-L247 HydrophobicContact CB-CD2 3.43Å; A213-L247 VanDerWaalsContact CB-CD2 3.43Å; A213-L247 HydrophobicContact CB-CG 4.42Å; T229-L247 HydrophobicContact CG2-CD1 3.88Å; I233-L247 HydrophobicContact CD1-CD1 4.1Å; A236-L247 HydrophobicContact CB-CD2 3.55Å; V245-L247 HydrophobicContact CG1-CD2 3.59Å; V245-L247 HydrophobicContact CG1-CG 4.04Å; L247-R269 PolarHBondContact N-O 3.26Å; L247-R269 PolarHBondContact O-N 3.29Å; L247-Y271 HydrophobicContact CD1-CD2 3.6Å; L247-Y271 HydrophobicContact CD1-CE2 3.73Å; L247-Y271 HydrophobicContact CD1-CG 4.33Å; L247-Y271 HydrophobicContact CG-CD2 4.17Å
248	G	95	Very high	81.5	Confident	2 Å²	2	43.9 Å²	43.9	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.4	173.9	0	0	0	0	0	111	N234 S235	N234-G248 PolarHBondContact N-O 2.98Å; S235-G248 PolarHBondContact N-O 3.05Å; S235-G248 PolarHBondContact O-N 3.44Å; S235-G248 VanDerWaalsContact O-O 3.1Å
249	G	92	Very high	79.2	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173	-160.9	178.8	0	0	0	0	0	112.7	P232 V289	P232-G249 WeakPolarHBondContact O-CA 2.98Å; G249-V289 WeakPolarHBondContact CA-O 3.11Å; G249-V289 PolarHBondContact N-O 2.65Å; G249-V289 PolarHBondContact O-N 3.18Å; G249-V289 VanDerWaalsContact O-N 3.09Å
250	G	86.9	Confident	76.9	Confident	3 Å²	3	51.4 Å²	51.4	3%	0.031	30%	0.304	C	S	.	.			trans	150	155.4	-178.5	0	0	0	0	0	111.9	P232	P232-G250 PolarHBondContact O-N 2.96Å
251	Q	80.4	Confident	74.6	Confident	45 Å²	45	56 Å²	56	21%	0.21	33%	0.331	C	S	.	.			trans	-83	137.1	170.6	-156	79.9	27.2	0	0	109	P232 E255 V256 F266 P288	P232-Q251 VanDerWaalsContact CG-OE1 3.22Å; Q251-E255 VanDerWaalsContact CD-OE2 3.31Å; Q251-E255 HydrophobicContact CG-CB 3.87Å; Q251-E255 VanDerWaalsContact CG-OE2 3.32Å; Q251-E255 WeakPolarHBondContact CG-OE2 3.15Å; Q251-E255 PolarHBondContact NE2-OE2 2.98Å; Q251-V256 HydrophobicContact CB-CG2 3.89Å; Q251-V256 HydrophobicContact CG-CG2 4.24Å; Q251-F266 WeakPolarHBondContact O-CE1 3.15Å; Q251-P288 WeakPolarHBondContact O-CG 3.07Å
252	E	72.2	Confident	72.7	Confident	72 Å²	72	54.6 Å²	54.6	34%	0.336	34%	0.336	S	S	.	.			trans	-65.4	143.5	178.3	-67.2	-173.5	-162.6	0	0	111.1	H254 E255 V256	E252-H254 VanDerWaalsContact CB-ND1 3.3Å; E252-H254 WeakPolarHBondContact CB-ND1 2.93Å; E252-H254 PolarHBondContact O-N 2.7Å; E252-H254 IonicContact OE2-CE1 3.06Å; E252-H254 PolarHBondContact OE2-CE1 3.5Å; E252-H254 IonicContact OE2-ND1 2.93Å; E252-H254 PolarHBondContact OE2-ND1 3.2Å; E252-E255 PolarHBondContact O-N 3.44Å; E252-V256 WeakPolarHBondContact O-CG2 3.18Å; E252-V256 PolarHBondContact O-N 3.04Å
253	A	62.2	Low	71	Confident	71 Å²	71	62.7 Å²	62.7	59%	0.587	38%	0.375	S	S	*	.	H	α-helix	trans	-56.9	-29.5	-175.4	0	0	0	0	0	113.1	E255 V256	A253-E255 VanDerWaalsContact C-N 3.25Å; A253-E255 PolarHBondContact O-N 2.56Å; A253-V256 PolarHBondContact O-N 3.29Å
254	H	64.6	Low	69.2	Low	123 Å²	123	61 Å²	61	57%	0.569	38%	0.376	S	S	*	.	H	α-helix	trans	-62.6	-33	177.3	79.1	-95.9	0	0	0	112.3	E252 T257	E252-H254 VanDerWaalsContact CB-ND1 3.3Å; E252-H254 WeakPolarHBondContact CB-ND1 2.93Å; E252-H254 PolarHBondContact O-N 2.7Å; E252-H254 IonicContact OE2-CE1 3.06Å; E252-H254 PolarHBondContact OE2-CE1 3.5Å; E252-H254 IonicContact OE2-ND1 2.93Å; E252-H254 PolarHBondContact OE2-ND1 3.2Å; H254-T257 PolarHBondContact O-OG1 2.79Å
255	E	62.7	Low	67.9	Low	83 Å²	83	68 Å²	68	39%	0.388	41%	0.407	S	S	.	.	H	α-helix	trans	-85	-27.4	178.8	-55.7	176.5	132.2	0	0	112	Q251 E252 A253 T257 T258	Q251-E255 VanDerWaalsContact CD-OE2 3.31Å; Q251-E255 HydrophobicContact CG-CB 3.87Å; Q251-E255 VanDerWaalsContact CG-OE2 3.32Å; Q251-E255 WeakPolarHBondContact CG-OE2 3.15Å; Q251-E255 PolarHBondContact NE2-OE2 2.98Å; E252-E255 PolarHBondContact O-N 3.44Å; A253-E255 VanDerWaalsContact C-N 3.25Å; A253-E255 PolarHBondContact O-N 2.56Å; E255-T257 VanDerWaalsContact C-N 3.29Å; E255-T257 PolarHBondContact O-N 2.89Å; E255-T258 PolarHBondContact O-OG1 3.13Å; E255-T258 VanDerWaalsContact O-OG1 3.07Å
256	V	56.7	Low	67.4	Low	47 Å²	47	69 Å²	69	29%	0.285	41%	0.411	S	S	.	.	H	α-helix	trans	-69.2	-23.5	-177	178.1	0	0	0	0	112.8	Q251 E252 A253 T258 T259	Q251-V256 HydrophobicContact CB-CG2 3.89Å; Q251-V256 HydrophobicContact CG-CG2 4.24Å; E252-V256 WeakPolarHBondContact O-CG2 3.18Å; E252-V256 PolarHBondContact O-N 3.04Å; A253-V256 PolarHBondContact O-N 3.29Å; V256-T258 PolarHBondContact O-N 2.63Å; V256-T259 PolarHBondContact O-N 3.17Å; V256-T259 PolarHBondContact O-OG1 2.78Å
257	T	52.7	Low	67.1	Low	123 Å²	123	69.6 Å²	69.6	76%	0.755	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-17.3	-178.6	56.1	0	0	0	0	114.4	H254 E255	H254-T257 PolarHBondContact O-OG1 2.79Å; E255-T257 VanDerWaalsContact C-N 3.29Å; E255-T257 PolarHBondContact O-N 2.89Å
258	T	52.7	Low	67	Low	122 Å²	122	69.4 Å²	69.4	75%	0.748	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-15.4	177.6	60.1	0	0	0	0	114.2	E255 V256	E255-T258 PolarHBondContact O-OG1 3.13Å; E255-T258 VanDerWaalsContact O-OG1 3.07Å; V256-T258 PolarHBondContact O-N 2.63Å
259	T	48.2	Very low	67	Low	63 Å²	63	70 Å²	70	39%	0.387	42%	0.415	S	S	.	.			trans	-107.1	109.8	-175.6	55.4	0	0	0	0	110.9	V256 V261	V256-T259 PolarHBondContact O-N 3.17Å; V256-T259 PolarHBondContact O-OG1 2.78Å; T259-V261 PolarHBondContact O-N 3.26Å
260	A	44.5	Very low	67.1	Low	110 Å²	110	70.1 Å²	70.1	91%	0.909	42%	0.415	S	S	*	.			trans	-65.2	14.9	179.6	0	0	0	0	0	115.3
261	V	44.1	Very low	67.5	Low	117 Å²	117	70.7 Å²	70.7	71%	0.709	42%	0.416	S	S	*	.	S	Bend	trans	-119.6	89.3	-166.3	-171.8	0	0	0	0	111.3	T259	T259-V261 PolarHBondContact O-N 3.26Å
262	G	49.5	Very low	68.2	Low	55 Å²	55	69.4 Å²	69.4	57%	0.567	41%	0.41	S	S	*	.			trans	87.2	124.5	150.6	0	0	0	0	0	116.5	G264	G262-G264 PolarHBondContact O-N 3.09Å
263	Q	52.6	Low	69.1	Low	197 Å²	197	66.7 Å²	66.7	92%	0.921	40%	0.398	S	S	*	.	S	Bend	trans	-42.5	120.9	167.1	-76.9	173.4	-40.1	0	0	111.8	K265	Q263-K265 PolarHBondContact O-N 2.84Å; Q263-K265 VanDerWaalsContact O-N 3.09Å
264	G	53.6	Low	70.6	Confident	42 Å²	42	66.6 Å²	66.6	43%	0.433	39%	0.386	S	S	.	.			trans	24.7	65.8	156.8	0	0	0	0	0	119.1	G262 F266	G262-G264 PolarHBondContact O-N 3.09Å; G264-F266 WeakPolarHBondContact O-CD2 3.38Å; G264-F266 PolarHBondContact O-N 3.36Å
265	K	67.3	Low	71.8	Confident	146 Å²	146	66.2 Å²	66.2	64%	0.635	38%	0.381	S	S	*	.			trans	-78.2	71.2	168.1	-66.8	-173.7	-178.3	179.3	0	111	Q263 D267	Q263-K265 PolarHBondContact O-N 2.84Å; Q263-K265 VanDerWaalsContact O-N 3.09Å; K265-D267 PolarHBondContact O-N 2.86Å
266	F	84.6	Confident	73.3	Confident	21 Å²	21	65.8 Å²	65.8	9%	0.092	38%	0.379	C	S	.	.			trans	-94.3	44.1	176.2	-52.6	-68.7	0	0	0	111.6	Q251 G264 H285 F286 G287 P288	Q251-F266 WeakPolarHBondContact O-CE1 3.15Å; G264-F266 WeakPolarHBondContact O-CD2 3.38Å; G264-F266 PolarHBondContact O-N 3.36Å; F266-H285 HydrophobicContact CB-CB 4.16Å; F266-F286 VanDerWaalsContact CD2-C 3.41Å; F266-F286 WeakPolarHBondContact CD2-O 3.39Å; F266-F286 VanDerWaalsContact CE2-C 3.49Å; F266-F286 WeakPolarHBondContact CE2-O 3.28Å; F266-G287 WeakPolarHBondContact CB-O 3.36Å; F266-G287 VanDerWaalsContact CD1-C 3.46Å; F266-G287 WeakPolarHBondContact CG-O 3.3Å; F266-P288 HydrophobicContact CD1-CB 4.45Å; F266-P288 HydrophobicContact CD1-CG 4.14Å; F266-P288 HydrophobicContact CE1-CG 3.85Å
267	D	89.7	Confident	75	Confident	13 Å²	13	70.1 Å²	70.1	7%	0.07	40%	0.396	C	S	.	.			trans	-71.9	136.1	-174	-59.2	-6.8	0	0	0	110.1	K265 R281 V282 K283	K265-D267 PolarHBondContact O-N 2.86Å; D267-R281 HydrophobicContact CB-CB 4.27Å; D267-V282 WeakPolarHBondContact CA-O 3.41Å; D267-K283 WeakPolarHBondContact OD1-CG 3.14Å; D267-K283 WeakPolarHBondContact OD2-CE 3.46Å
268	V	94.3	Very high	76.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.7	168.4	-172.2	0	0	0	0	107.2	L246 R281 V282 V289 V292 F301 T303	L246-V268 HydrophobicContact CD1-CG1 3.31Å; L246-V268 HydrophobicContact CD2-CG1 4.22Å; L246-V268 HydrophobicContact CG-CG1 3.7Å; V268-R281 CarbonylContact O-C 3.55Å; V268-R281 WeakPolarHBondContact O-CA 3.33Å; V268-V282 HydrophobicContact CB-CB 4.32Å; V268-V282 PolarHBondContact N-O 3.3Å; V268-V282 PolarHBondContact O-N 3.5Å; V268-V289 HydrophobicContact CG2-CG1 4.35Å; V268-V289 HydrophobicContact CG2-CG2 3.89Å; V268-V292 HydrophobicContact CG1-CG1 4.32Å; V268-F301 HydrophobicContact CG1-CE2 4.35Å; V268-T303 HydrophobicContact CG1-CG2 4.23Å; V268-T303 HydrophobicContact CG2-CG2 3.87Å
269	R	94.9	Very high	78.8	Confident	14 Å²	14	64.5 Å²	64.5	5%	0.053	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139	-172.1	-59.7	179.5	175.6	80.9	-1.2	111.5	L247 Y271 E278 R281	L247-R269 PolarHBondContact N-O 3.26Å; L247-R269 PolarHBondContact O-N 3.29Å; R269-Y271 HydrophobicContact CB-CD2 4.22Å; R269-Y271 HydrophobicContact CB-CE2 3.73Å; R269-E278 IonicContact NE-OE2 2.69Å; R269-R281 HydrophobicContact CG-CG 4.4Å
270	F	95.2	Very high	80.8	Confident	6 Å²	6	62.5 Å²	62.5	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.1	174.1	-78.6	-94.6	0	0	0	110.4	V245 L246 E278 F279 G280 V282 F294 F301 F315 Y319	V245-F270 WeakPolarHBondContact O-CA 3.22Å; L246-F270 HydrophobicContact CD1-CD1 4.03Å; L246-F270 HydrophobicContact CD1-CD2 3.83Å; L246-F270 HydrophobicContact CD1-CE1 3.69Å; L246-F270 HydrophobicContact CD1-CE2 3.45Å; L246-F270 VanDerWaalsContact CD1-CE2 3.45Å; L246-F270 HydrophobicContact CD1-CG 4.1Å; L246-F270 HydrophobicContact CD1-CZ 3.38Å; F270-E278 WeakPolarHBondContact O-CA 3.22Å; F270-E278 WeakPolarHBondContact O-CG 3.44Å; F270-F279 HydrophobicContact CB-CD1 4.39Å; F270-F279 HydrophobicContact CB-CD2 4.11Å; F270-F279 HydrophobicContact CB-CE1 3.95Å; F270-F279 HydrophobicContact CB-CE2 3.63Å; F270-F279 HydrophobicContact CB-CG 4.48Å; F270-F279 HydrophobicContact CB-CZ 3.56Å; F270-F279 HydrophobicContact CD1-CE2 4.21Å; F270-F279 AromaticContact CD1-CZ 3.91Å; F270-F279 HydrophobicContact CD1-CZ 3.91Å; F270-F279 HydrophobicContact CG-CE2 4.15Å; F270-F279 HydrophobicContact CG-CZ 4.13Å; F270-F279 PolarHBondContact O-N 2.58Å; F270-G280 PolarHBondContact N-O 3.47Å; F270-V282 HydrophobicContact CD2-CG2 4.29Å; F270-V282 HydrophobicContact CE2-CG2 3.71Å; F270-F294 HydrophobicContact CE1-CE1 4.3Å; F270-F294 HydrophobicContact CE1-CZ 4.2Å; F270-F301 HydrophobicContact CE2-CE1 4.05Å; F270-F301 AromaticContact CE2-CZ 3.85Å; F270-F301 HydrophobicContact CE2-CZ 3.85Å; F270-F301 AromaticContact CZ-CD1 3.98Å; F270-F301 HydrophobicContact CZ-CD1 3.98Å; F270-F301 AromaticContact CZ-CE1 3.51Å; F270-F301 HydrophobicContact CZ-CE1 3.51Å; F270-F301 HydrophobicContact CZ-CE2 4.42Å; F270-F301 AromaticContact CZ-CZ 3.74Å; F270-F301 HydrophobicContact CZ-CZ 3.74Å; F270-F315 HydrophobicContact CE1-CE1 4.06Å; F270-F315 AromaticContact CE1-CZ 3.99Å; F270-F315 HydrophobicContact CE1-CZ 3.99Å; F270-F315 AromaticContact CZ-CE1 3.83Å; F270-F315 HydrophobicContact CZ-CE1 3.83Å; F270-F315 HydrophobicContact CZ-CZ 4.02Å; F270-Y319 HydrophobicContact CE1-CE2 4.44Å
271	Y	95.7	Very high	83.1	Confident	15 Å²	15	62.3 Å²	62.3	6%	0.059	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.8	176.8	-78.3	-102.9	0	0	0	110.6	Y227 T228 T229 H244 V245 L247 R269 E276 E277 E278 F279	Y227-Y271 AromaticContact CD1-CD1 3.88Å; Y227-Y271 HydrophobicContact CD1-CD1 3.88Å; Y227-Y271 HydrophobicContact CD1-CG 4.02Å; Y227-Y271 HydrophobicContact CG-CD1 4.49Å; T228-Y271 PolarHBondContact O-OH 3.32Å; T229-Y271 HydrophobicContact CG2-CE2 4.18Å; H244-Y271 CarbonylContact C-O 3.55Å; H244-Y271 WeakPolarHBondContact CA-O 3.18Å; V245-Y271 PolarHBondContact N-O 3.18Å; V245-Y271 PolarHBondContact O-N 3.43Å; L247-Y271 HydrophobicContact CD1-CD2 3.6Å; L247-Y271 HydrophobicContact CD1-CE2 3.73Å; L247-Y271 HydrophobicContact CD1-CG 4.33Å; L247-Y271 HydrophobicContact CG-CD2 4.17Å; R269-Y271 HydrophobicContact CB-CD2 4.22Å; R269-Y271 HydrophobicContact CB-CE2 3.73Å; Y271-E276 WeakPolarHBondContact CD1-O 3.48Å; Y271-E277 CarbonylContact C-O 3.53Å; Y271-E277 VanDerWaalsContact CA-O 3.26Å; Y271-E277 WeakPolarHBondContact CA-O 3.24Å; Y271-E278 HydrophobicContact CD1-CB 4.19Å; Y271-E278 HydrophobicContact CD2-CG 4.34Å; Y271-E278 HydrophobicContact CE1-CB 3.74Å; Y271-E278 HydrophobicContact CE1-CG 4.41Å; Y271-E278 HydrophobicContact CE2-CB 4.07Å; Y271-E278 HydrophobicContact CE2-CG 3.82Å; Y271-E278 PolarHBondContact OH-OE2 3.3Å; Y271-F279 WeakPolarHBondContact O-CE1 3.43Å
272	H	94	Very high	85.4	Confident	17 Å²	17	57.6 Å²	57.6	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	127.2	170	-167.1	-63.1	0	0	0	109.8	D243 I274 Y275 E276 E277 F279	D243-H272 CarbonylContact O-C 3.57Å; H272-I274 VanDerWaalsContact C-N 3.33Å; H272-I274 PolarHBondContact ND1-N 3.02Å; H272-I274 PolarHBondContact O-N 2.85Å; H272-Y275 HydrophobicContact CB-CD2 4.35Å; H272-Y275 AromaticContact CD2-CD2 3.67Å; H272-Y275 AromaticContact CE1-CD2 3.39Å; H272-Y275 WeakPolarHBondContact CE1-CD2 3.43Å; H272-Y275 AromaticContact CE1-CE2 3.47Å; H272-Y275 VanDerWaalsContact CE1-CE2 3.47Å; H272-Y275 WeakPolarHBondContact CE1-CE2 3.39Å; H272-Y275 AromaticContact CG-CD2 3.54Å; H272-Y275 AromaticContact ND1-CD2 3.35Å; H272-Y275 VanDerWaalsContact ND1-CD2 3.35Å; H272-Y275 WeakPolarHBondContact ND1-CD2 3.29Å; H272-Y275 AromaticContact ND1-CE2 3.94Å; H272-Y275 PolarHBondContact ND1-N 2.83Å; H272-Y275 AromaticContact NE2-CD2 3.56Å; H272-Y275 AromaticContact NE2-CE2 3.55Å; H272-E276 PolarHBondContact O-N 2.75Å; H272-E277 PolarHBondContact N-O 2.65Å; H272-F279 HydrophobicContact CB-CD1 4.31Å
273	L	92.3	Very high	87.4	Confident	16 Å²	16	62.6 Å²	62.6	8%	0.084	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-43.1	-175.6	-174.9	81.8	0	0	0	111.9	L215 Y227 I238 D243 V245	L215-L273 HydrophobicContact CD1-CD1 4.33Å; L215-L273 HydrophobicContact CD2-CD1 3.77Å; L215-L273 HydrophobicContact CD2-CG 4.31Å; Y227-L273 WeakPolarHBondContact OH-CA 3.4Å; Y227-L273 PolarHBondContact OH-O 3.36Å; I238-L273 HydrophobicContact CG2-CD1 3.99Å; D243-L273 HydrophobicContact CB-CB 4.01Å; D243-L273 HydrophobicContact CB-CD2 4.44Å; D243-L273 VanDerWaalsContact O-CB 3.23Å; D243-L273 WeakPolarHBondContact O-CB 3.49Å; D243-L273 PolarHBondContact O-N 3.09Å; V245-L273 HydrophobicContact CG2-CB 4.3Å; V245-L273 HydrophobicContact CG2-CD1 3.44Å; V245-L273 VanDerWaalsContact CG2-CD1 3.44Å; V245-L273 HydrophobicContact CG2-CG 4.48Å
274	I	91.8	Very high	89	Confident	68 Å²	68	54.7 Å²	54.7	35%	0.349	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-45.3	-178.1	-54.8	175.9	0	0	0	112.9	R225 D243 H272	R225-I274 PolarHBondContact NE-O 3.47Å; R225-I274 PolarHBondContact NH2-O 3.03Å; D243-I274 HydrophobicContact CB-CG1 4.49Å; D243-I274 WeakPolarHBondContact OD2-CD1 3.42Å; H272-I274 VanDerWaalsContact C-N 3.33Å; H272-I274 PolarHBondContact ND1-N 3.02Å; H272-I274 PolarHBondContact O-N 2.85Å
275	Y	91.7	Very high	90.7	Very high	115 Å²	115	53.2 Å²	53.2	45%	0.451	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-10.8	-170.3	-58	-61.3	0	0	0	115	H272 E277 F327	H272-Y275 HydrophobicContact CB-CD2 4.35Å; H272-Y275 AromaticContact CD2-CD2 3.67Å; H272-Y275 AromaticContact CE1-CD2 3.39Å; H272-Y275 WeakPolarHBondContact CE1-CD2 3.43Å; H272-Y275 AromaticContact CE1-CE2 3.47Å; H272-Y275 VanDerWaalsContact CE1-CE2 3.47Å; H272-Y275 WeakPolarHBondContact CE1-CE2 3.39Å; H272-Y275 AromaticContact CG-CD2 3.54Å; H272-Y275 AromaticContact ND1-CD2 3.35Å; H272-Y275 VanDerWaalsContact ND1-CD2 3.35Å; H272-Y275 WeakPolarHBondContact ND1-CD2 3.29Å; H272-Y275 AromaticContact ND1-CE2 3.94Å; H272-Y275 PolarHBondContact ND1-N 2.83Å; H272-Y275 AromaticContact NE2-CD2 3.56Å; H272-Y275 AromaticContact NE2-CE2 3.55Å; Y275-E277 PolarHBondContact O-N 3.01Å; Y275-E277 VanDerWaalsContact O-N 3.17Å; Y275-F327 AromaticContact CE2-CE1 3.88Å; Y275-F327 HydrophobicContact CE2-CE1 3.88Å; Y275-F327 AromaticContact CE2-CZ 3.56Å; Y275-F327 HydrophobicContact CE2-CZ 3.56Å; Y275-F327 AromaticContact CZ-CE1 3.77Å; Y275-F327 AromaticContact CZ-CZ 3.77Å; Y275-F327 WeakPolarHBondContact OH-CE1 3.42Å; Y275-F327 WeakPolarHBondContact OH-CZ 3.3Å
276	E	92.5	Very high	91.6	Very high	74 Å²	74	54.3 Å²	54.3	35%	0.346	26%	0.256	S	S	.	.			trans	62.9	16.7	-178.6	-50	178.5	153.5	0	0	113.9	R225 T226 Y227 Y271 H272	R225-E276 VanDerWaalsContact CA-OE1 3.23Å; R225-E276 WeakPolarHBondContact CA-OE1 3.43Å; R225-E276 HydrophobicContact CB-CG 4.28Å; R225-E276 VanDerWaalsContact CB-OE1 3.31Å; R225-E276 WeakPolarHBondContact CB-OE1 3.41Å; R225-E276 WeakPolarHBondContact CD-OE1 3.43Å; R225-E276 HydrophobicContact CG-CG 4.46Å; R225-E276 IonicContact NH1-OE1 3.31Å; T226-E276 PolarHBondContact N-OE1 3.17Å; Y227-E276 HydrophobicContact CD1-CB 4.25Å; Y227-E276 HydrophobicContact CD1-CG 4.43Å; Y227-E276 HydrophobicContact CE1-CB 4.35Å; Y227-E276 HydrophobicContact CE1-CG 4.18Å; Y271-E276 WeakPolarHBondContact CD1-O 3.48Å; H272-E276 PolarHBondContact O-N 2.75Å
277	E	93.1	Very high	91.8	Very high	139 Å²	139	53.7 Å²	53.7	65%	0.65	26%	0.256	S	S	*	.			trans	-94.7	136.9	-179.1	-65.8	-172	169.6	0	0	111.9	Y271 H272 Y275	Y271-E277 CarbonylContact C-O 3.53Å; Y271-E277 VanDerWaalsContact CA-O 3.26Å; Y271-E277 WeakPolarHBondContact CA-O 3.24Å; H272-E277 PolarHBondContact N-O 2.65Å; Y275-E277 PolarHBondContact O-N 3.01Å; Y275-E277 VanDerWaalsContact O-N 3.17Å
278	E	93.5	Very high	91.9	Very high	66 Å²	66	53.3 Å²	53.3	31%	0.308	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.1	172.6	-165.6	-165.7	117.3	0	0	109.9	R269 F270 Y271 R281	R269-E278 IonicContact NE-OE2 2.69Å; F270-E278 WeakPolarHBondContact O-CA 3.22Å; F270-E278 WeakPolarHBondContact O-CG 3.44Å; Y271-E278 HydrophobicContact CD1-CB 4.19Å; Y271-E278 HydrophobicContact CD2-CG 4.34Å; Y271-E278 HydrophobicContact CE1-CB 3.74Å; Y271-E278 HydrophobicContact CE1-CG 4.41Å; Y271-E278 HydrophobicContact CE2-CB 4.07Å; Y271-E278 HydrophobicContact CE2-CG 3.82Å; Y271-E278 PolarHBondContact OH-OE2 3.3Å; E278-R281 VanDerWaalsContact OE1-CG 3.29Å; E278-R281 WeakPolarHBondContact OE1-CG 3.3Å; E278-R281 IonicContact OE1-CZ 3.12Å; E278-R281 VanDerWaalsContact OE1-CZ 3.24Å; E278-R281 IonicContact OE1-NE 3.97Å; E278-R281 PolarHBondContact OE1-NE 2.82Å; E278-R281 IonicContact OE1-NH2 3.65Å; E278-R281 PolarHBondContact OE1-NH2 2.83Å; E278-R281 IonicContact OE2-CZ 3.15Å; E278-R281 IonicContact OE2-NE 3.95Å; E278-R281 IonicContact OE2-NH2 3.96Å; E278-R281 PolarHBondContact OE2-NH2 2.92Å
279	F	91.7	Very high	92	Very high	60 Å²	60	53.3 Å²	53.3	26%	0.263	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-8.7	-179.8	67.4	-100.2	0	0	0	113.7	H244 F270 Y271 H272 Y319 L322	H244-F279 HydrophobicContact CB-CE1 4.34Å; H244-F279 HydrophobicContact CB-CZ 4.13Å; H244-F279 AromaticContact CD2-CE1 3.45Å; H244-F279 VanDerWaalsContact CD2-CE1 3.45Å; H244-F279 WeakPolarHBondContact CD2-CE1 3.5Å; H244-F279 AromaticContact CD2-CZ 3.48Å; H244-F279 VanDerWaalsContact CD2-CZ 3.48Å; H244-F279 WeakPolarHBondContact CD2-CZ 3.25Å; H244-F279 AromaticContact CE1-CZ 3.75Å; H244-F279 AromaticContact CG-CE1 3.86Å; H244-F279 AromaticContact CG-CZ 3.52Å; H244-F279 AromaticContact ND1-CZ 3.67Å; H244-F279 AromaticContact NE2-CE1 3.85Å; H244-F279 AromaticContact NE2-CZ 3.62Å; F270-F279 HydrophobicContact CB-CD1 4.39Å; F270-F279 HydrophobicContact CB-CD2 4.11Å; F270-F279 HydrophobicContact CB-CE1 3.95Å; F270-F279 HydrophobicContact CB-CE2 3.63Å; F270-F279 HydrophobicContact CB-CG 4.48Å; F270-F279 HydrophobicContact CB-CZ 3.56Å; F270-F279 HydrophobicContact CD1-CE2 4.21Å; F270-F279 AromaticContact CD1-CZ 3.91Å; F270-F279 HydrophobicContact CD1-CZ 3.91Å; F270-F279 HydrophobicContact CG-CE2 4.15Å; F270-F279 HydrophobicContact CG-CZ 4.13Å; F270-F279 PolarHBondContact O-N 2.58Å; Y271-F279 WeakPolarHBondContact O-CE1 3.43Å; H272-F279 HydrophobicContact CB-CD1 4.31Å; F279-Y319 HydrophobicContact CE2-CE2 4.22Å; F279-L322 HydrophobicContact CD2-CD2 3.59Å; F279-L322 HydrophobicContact CE2-CD2 3.42Å; F279-L322 VanDerWaalsContact CE2-CD2 3.42Å; F279-L322 HydrophobicContact CG-CD2 4.48Å; F279-L322 HydrophobicContact CZ-CD2 4.18Å
280	G	91.2	Very high	92	Very high	21 Å²	21	54.1 Å²	54.1	22%	0.216	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	149.9	-175.6	0	0	0	0	0	114.6	F270	F270-G280 PolarHBondContact N-O 3.47Å
281	R	92.8	Very high	92	Very high	106 Å²	106	53.8 Å²	53.8	40%	0.4	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.2	171.5	-66	-171.3	-178.3	173.4	6.4	110.4	D267 V268 R269 E278	D267-R281 HydrophobicContact CB-CB 4.27Å; V268-R281 CarbonylContact O-C 3.55Å; V268-R281 WeakPolarHBondContact O-CA 3.33Å; R269-R281 HydrophobicContact CG-CG 4.4Å; E278-R281 VanDerWaalsContact OE1-CG 3.29Å; E278-R281 WeakPolarHBondContact OE1-CG 3.3Å; E278-R281 IonicContact OE1-CZ 3.12Å; E278-R281 VanDerWaalsContact OE1-CZ 3.24Å; E278-R281 IonicContact OE1-NE 3.97Å; E278-R281 PolarHBondContact OE1-NE 2.82Å; E278-R281 IonicContact OE1-NH2 3.65Å; E278-R281 PolarHBondContact OE1-NH2 2.83Å; E278-R281 IonicContact OE2-CZ 3.15Å; E278-R281 IonicContact OE2-NE 3.95Å; E278-R281 IonicContact OE2-NH2 3.96Å; E278-R281 PolarHBondContact OE2-NH2 2.92Å
282	V	92.6	Very high	92.1	Very high	19 Å²	19	53.1 Å²	53.1	12%	0.115	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.5	174.2	175	0	0	0	0	108.8	M1 D267 V268 F270 F301	M1-V282 HydrophobicContact CE-CB 4.1Å; M1-V282 HydrophobicContact CE-CG1 3.41Å; M1-V282 VanDerWaalsContact CE-CG1 3.41Å; M1-V282 HydrophobicContact CE-CG2 3.53Å; M1-V282 HydrophobicContact SD-CG2 3.58Å; M1-V282 VanDerWaalsContact SD-CG2 3.58Å; D267-V282 WeakPolarHBondContact CA-O 3.41Å; V268-V282 HydrophobicContact CB-CB 4.32Å; V268-V282 PolarHBondContact N-O 3.3Å; V268-V282 PolarHBondContact O-N 3.5Å; F270-V282 HydrophobicContact CD2-CG2 4.29Å; F270-V282 HydrophobicContact CE2-CG2 3.71Å; V282-F301 HydrophobicContact CB-CZ 4.41Å; V282-F301 HydrophobicContact CG1-CZ 4.34Å; V282-F301 HydrophobicContact CG2-CZ 4.09Å
283	K	90.3	Very high	92.3	Very high	159 Å²	159	52.6 Å²	52.6	69%	0.691	25%	0.254	S	S	*	.			trans	-93	152.5	177.2	-51.6	-165.6	172.3	170.4	0	109.9	D267	D267-K283 WeakPolarHBondContact OD1-CG 3.14Å; D267-K283 WeakPolarHBondContact OD2-CE 3.46Å
284	G	86.4	Confident	92.4	Very high	32 Å²	32	52.7 Å²	52.7	33%	0.33	25%	0.254	S	S	.	.			trans	160.9	-33.6	169.7	0	0	0	0	0	114.5	R311	G284-R311 VanDerWaalsContact C-CZ 3.4Å; G284-R311 PolarHBondContact O-NH2 2.99Å
285	H	89.5	Confident	92.6	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.046	24%	0.238	C	C	.	.			trans	-70.8	138.6	177.9	-74.2	-88.7	0	0	0	111.7	F266 G287 V289 T303 G305 E307 R311	F266-H285 HydrophobicContact CB-CB 4.16Å; H285-G287 WeakPolarHBondContact CB-O 3.49Å; H285-V289 HydrophobicContact CB-CG2 4.08Å; H285-T303 PolarHBondContact CE1-O 3.21Å; H285-T303 WeakPolarHBondContact NE2-CB 3.36Å; H285-T303 PolarHBondContact NE2-OG1 3.23Å; H285-G305 PolarHBondContact CE1-N 3.01Å; H285-G305 WeakPolarHBondContact ND1-CA 3.27Å; H285-E307 IonicContact CE1-OE1 3.88Å; H285-E307 IonicContact CG-OE1 3.94Å; H285-E307 IonicContact ND1-OE1 3.8Å; H285-E307 PolarHBondContact ND1-OE1 3.01Å; H285-E307 VanDerWaalsContact ND1-OE1 3.13Å; H285-R311 PolarHBondContact CD2-NH1 2.91Å; H285-R311 PolarHBondContact CE1-NH1 2.81Å; H285-R311 PolarHBondContact ND1-NH1 2.99Å; H285-R311 PolarHBondContact NE2-NH1 2.78Å
286	F	86	Confident	92.7	Very high	169 Å²	169	45.7 Å²	45.7	74%	0.741	23%	0.227	S	C	*	.	S	Bend	trans	-92.5	-3.9	174.3	-57.9	-81.4	0	0	0	112.8	F266 E307	F266-F286 VanDerWaalsContact CD2-C 3.41Å; F266-F286 WeakPolarHBondContact CD2-O 3.39Å; F266-F286 VanDerWaalsContact CE2-C 3.49Å; F266-F286 WeakPolarHBondContact CE2-O 3.28Å; F286-E307 WeakPolarHBondContact CA-OE2 3.44Å; F286-E307 WeakPolarHBondContact CB-OE2 3.45Å; F286-E307 VanDerWaalsContact CD2-OE2 3.28Å; F286-E307 WeakPolarHBondContact CD2-OE2 3.44Å; F286-E307 PolarHBondContact N-OE2 3.17Å
287	G	88.7	Confident	92.7	Very high	9 Å²	9	46.6 Å²	46.6	9%	0.093	23%	0.234	C	C	.	.	S	Bend	trans	-142.4	176.4	174.4	0	0	0	0	0	111.7	F266 H285 V289	F266-G287 WeakPolarHBondContact CB-O 3.36Å; F266-G287 VanDerWaalsContact CD1-C 3.46Å; F266-G287 WeakPolarHBondContact CG-O 3.3Å; H285-G287 WeakPolarHBondContact CB-O 3.49Å; G287-V289 PolarHBondContact O-N 2.79Å
288	P	92.5	Very high	92.6	Very high	4 Å²	4	40 Å²	40	3%	0.026	20%	0.203	C	C	.	.			trans	-50.6	140.3	178.6	-27.7	35.1	0	0	0	112.8	Q251 F266 G305 E306	Q251-P288 WeakPolarHBondContact O-CG 3.07Å; F266-P288 HydrophobicContact CD1-CB 4.45Å; F266-P288 HydrophobicContact CD1-CG 4.14Å; F266-P288 HydrophobicContact CE1-CG 3.85Å; P288-G305 CarbonylContact O-C 3.55Å; P288-G305 WeakPolarHBondContact O-CA 3.05Å; P288-E306 PolarHBondContact O-N 3.33Å
289	V	95.2	Very high	92.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.7	172	-176.6	0	0	0	0	107.4	N234 G249 V268 H285 G287 V292 G304	N234-V289 VanDerWaalsContact CB-O 3.27Å; N234-V289 WeakPolarHBondContact CB-O 3.34Å; N234-V289 PolarHBondContact ND2-O 2.92Å; G249-V289 WeakPolarHBondContact CA-O 3.11Å; G249-V289 PolarHBondContact N-O 2.65Å; G249-V289 PolarHBondContact O-N 3.18Å; G249-V289 VanDerWaalsContact O-N 3.09Å; V268-V289 HydrophobicContact CG2-CG1 4.35Å; V268-V289 HydrophobicContact CG2-CG2 3.89Å; H285-V289 HydrophobicContact CB-CG2 4.08Å; G287-V289 PolarHBondContact O-N 2.79Å; V289-V292 HydrophobicContact CG1-CG1 3.66Å; V289-G304 CarbonylContact C-O 3.48Å
290	N	95.4	Very high	92.6	Very high	31 Å²	31	36.8 Å²	36.8	17%	0.166	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-31.6	-174.1	-71.6	-18.9	0	0	0	112.9	I13 N234 S235 G304 E306	I13-N290 WeakPolarHBondContact O-CB 3.43Å; I13-N290 PolarHBondContact O-ND2 2.81Å; N234-N290 PolarHBondContact ND2-OD1 3.15Å; S235-N290 WeakPolarHBondContact CB-O 3.45Å; N290-G304 PolarHBondContact N-O 3.04Å; N290-E306 PolarHBondContact ND2-OE2 3.46Å
291	S	96.4	Very high	92.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.8	-179.8	-166.3	0	0	0	0	109.9	I16 T303 G304	I16-S291 PolarHBondContact N-OG 2.83Å; S291-T303 WeakPolarHBondContact O-CA 3.36Å; S291-G304 PolarHBondContact N-O 3.31Å; S291-G304 PolarHBondContact O-N 3.01Å
292	V	97.1	Very high	93	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.5	169.8	-59.5	0	0	0	0	109.4	Q196 S235 A237 L246 V268 V289 A302 T303	Q196-V292 PolarHBondContact NE2-O 2.87Å; S235-V292 WeakPolarHBondContact OG-CG2 3.47Å; S235-V292 PolarHBondContact OG-N 3.33Å; A237-V292 HydrophobicContact CB-CG2 3.93Å; L246-V292 HydrophobicContact CD2-CB 3.82Å; L246-V292 HydrophobicContact CD2-CG1 4.32Å; L246-V292 HydrophobicContact CD2-CG2 4.27Å; L246-V292 HydrophobicContact CG-CB 4.29Å; L246-V292 HydrophobicContact CG-CG2 4.34Å; V268-V292 HydrophobicContact CG1-CG1 4.32Å; V289-V292 HydrophobicContact CG1-CG1 3.66Å; V292-A302 WeakPolarHBondContact CA-O 3.08Å; V292-T303 HydrophobicContact CB-CG2 4.45Å; V292-T303 HydrophobicContact CG1-CG2 3.9Å
293	A	97	Very high	93.2	Very high	6 Å²	6	29.9 Å²	29.9	5%	0.05	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	135.7	176	0	0	0	0	0	109.9	I16 Y18 F301 A302	I16-A293 HydrophobicContact CB-CB 4.43Å; I16-A293 HydrophobicContact CG2-CB 4.19Å; Y18-A293 HydrophobicContact CD2-CB 4.01Å; Y18-A293 HydrophobicContact CE2-CB 4.14Å; A293-F301 CarbonylContact O-C 3.5Å; A293-F301 VanDerWaalsContact O-CA 3.23Å; A293-F301 WeakPolarHBondContact O-CA 3.33Å; A293-F301 WeakPolarHBondContact O-CB 3.43Å; A293-A302 PolarHBondContact N-O 3.04Å; A293-A302 PolarHBondContact O-N 2.76Å
294	F	96.1	Very high	93.5	Very high	19 Å²	19	22.3 Å²	22.3	8%	0.083	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	148.6	168.3	-79.7	-79.6	0	0	0	110.4	Y18 A237 I238 S239 L246 F270 F301 F315	Y18-F294 VanDerWaalsContact CD2-O 3.29Å; Y18-F294 WeakPolarHBondContact CD2-O 3.4Å; A237-F294 HydrophobicContact CB-CD2 3.74Å; A237-F294 HydrophobicContact CB-CE2 4.14Å; I238-F294 VanDerWaalsContact O-CD2 3.28Å; I238-F294 WeakPolarHBondContact O-CD2 3.47Å; S239-F294 VanDerWaalsContact N-CE2 3.34Å; L246-F294 HydrophobicContact CB-CD2 4.32Å; L246-F294 HydrophobicContact CB-CE2 3.36Å; L246-F294 HydrophobicContact CB-CZ 3.55Å; L246-F294 HydrophobicContact CD2-CE2 4.29Å; L246-F294 HydrophobicContact CD2-CZ 4.29Å; L246-F294 HydrophobicContact CG-CE2 4.44Å; L246-F294 HydrophobicContact CG-CZ 4.41Å; F270-F294 HydrophobicContact CE1-CE1 4.3Å; F270-F294 HydrophobicContact CE1-CZ 4.2Å; F294-F301 HydrophobicContact CD1-CB 3.93Å; F294-F301 HydrophobicContact CE1-CB 4.3Å; F294-F301 HydrophobicContact CG-CB 4.47Å; F294-F315 HydrophobicContact CD1-CE2 4.41Å; F294-F315 HydrophobicContact CE1-CE2 4.2Å; F294-F315 AromaticContact CE1-CZ 3.94Å; F294-F315 HydrophobicContact CE1-CZ 3.94Å
295	S	95.3	Very high	93.8	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.028	11%	0.113	C	C	.	.			trans	-67.2	145.5	164.3	64.1	0	0	0	0	109.6	P240 D297 G298 S299 G300	P240-S295 WeakPolarHBondContact CG-O 3.28Å; S295-D297 VanDerWaalsContact C-N 3.26Å; S295-D297 WeakPolarHBondContact CB-OD1 3.16Å; S295-D297 PolarHBondContact O-N 3.01Å; S295-D297 PolarHBondContact OG-OD1 3.45Å; S295-G298 WeakPolarHBondContact O-CA 3.38Å; S295-G298 PolarHBondContact O-N 2.78Å; S295-G298 PolarHBondContact OG-N 2.7Å; S295-S299 PolarHBondContact OG-N 3.08Å; S295-S299 PolarHBondContact OG-OG 2.8Å; S295-G300 PolarHBondContact N-O 3.17Å; S295-G300 PolarHBondContact OG-N 2.99Å; S295-G300 PolarHBondContact OG-O 2.67Å
296	P	94.1	Very high	93.9	Very high	32 Å²	32	23 Å²	23	21%	0.208	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-31	-177.4	-21.6	28.4	0	0	0	114.8	N19 L199 P240 G298	N19-P296 WeakPolarHBondContact O-CG 3.32Å; L199-P296 HydrophobicContact CD1-CB 3.91Å; P240-P296 VanDerWaalsContact CG-O 3.28Å; P240-P296 WeakPolarHBondContact CG-O 3.27Å; P296-G298 PolarHBondContact O-N 2.61Å
297	D	91.5	Very high	94.1	Very high	93 Å²	93	17.1 Å²	17.1	50%	0.497	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.4	174.1	67.3	-11.9	0	0	0	113.1	N241 S295 S299	N241-D297 PolarHBondContact ND2-O 3.29Å; S295-D297 VanDerWaalsContact C-N 3.26Å; S295-D297 WeakPolarHBondContact CB-OD1 3.16Å; S295-D297 PolarHBondContact O-N 3.01Å; S295-D297 PolarHBondContact OG-OD1 3.45Å; D297-S299 PolarHBondContact O-N 2.97Å; D297-S299 PolarHBondContact OD1-N 3.19Å; D297-S299 PolarHBondContact OD1-OG 3.18Å; D297-S299 WeakPolarHBondContact OD2-CB 3.48Å; D297-S299 PolarHBondContact OD2-OG 3.19Å
298	G	91.7	Very high	94.2	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.01	9%	0.094	C	C	.	.	S	Bend	trans	61.4	24.3	-174.2	0	0	0	0	0	114.2	N241 S295 P296 G300	N241-G298 WeakPolarHBondContact ND2-CA 3.24Å; N241-G298 PolarHBondContact ND2-O 3.14Å; S295-G298 WeakPolarHBondContact O-CA 3.38Å; S295-G298 PolarHBondContact O-N 2.78Å; S295-G298 PolarHBondContact OG-N 2.7Å; P296-G298 PolarHBondContact O-N 2.61Å; G298-G300 VanDerWaalsContact C-N 3.27Å
299	S	91.5	Very high	94.2	Very high	54 Å²	54	21 Å²	21	38%	0.378	11%	0.11	S	C	.	.	S	Bend	trans	-75.6	-16.6	172.8	66.4	0	0	0	0	113.1	S295 D297 F315	S295-S299 PolarHBondContact OG-N 3.08Å; S295-S299 PolarHBondContact OG-OG 2.8Å; D297-S299 PolarHBondContact O-N 2.97Å; D297-S299 PolarHBondContact OD1-N 3.19Å; D297-S299 PolarHBondContact OD1-OG 3.18Å; D297-S299 WeakPolarHBondContact OD2-CB 3.48Å; D297-S299 PolarHBondContact OD2-OG 3.19Å; S299-F315 VanDerWaalsContact C-CD2 3.42Å; S299-F315 WeakPolarHBondContact O-CB 3.39Å; S299-F315 VanDerWaalsContact O-CD2 3.27Å; S299-F315 WeakPolarHBondContact O-CD2 3.14Å; S299-F315 PolarHBondContact O-N 3.46Å
300	G	93.5	Very high	94.2	Very high	4 Å²	4	21 Å²	21	4%	0.041	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	-167	-178.7	0	0	0	0	0	113.7	S295 G298 H313	S295-G300 PolarHBondContact N-O 3.17Å; S295-G300 PolarHBondContact OG-N 2.99Å; S295-G300 PolarHBondContact OG-O 2.67Å; G298-G300 VanDerWaalsContact C-N 3.27Å; G300-H313 CarbonylContact C-O 3.59Å; G300-H313 WeakPolarHBondContact CA-O 3.39Å
301	F	95.6	Very high	94.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	155.5	176.6	68.4	-79.9	0	0	0	111.4	M1 L246 V268 F270 V282 A293 F294 T303 H313 F315	M1-F301 HydrophobicContact CE-CE1 3.84Å; M1-F301 HydrophobicContact CE-CZ 3.7Å; M1-F301 HydrophobicContact SD-CE1 4.18Å; M1-F301 HydrophobicContact SD-CZ 4.42Å; L246-F301 HydrophobicContact CD1-CD2 4.4Å; L246-F301 HydrophobicContact CD1-CE2 4.29Å; L246-F301 HydrophobicContact CD2-CB 3.94Å; L246-F301 HydrophobicContact CD2-CD2 3.38Å; L246-F301 HydrophobicContact CD2-CE2 4.01Å; L246-F301 HydrophobicContact CD2-CG 3.82Å; V268-F301 HydrophobicContact CG1-CE2 4.35Å; F270-F301 HydrophobicContact CE2-CE1 4.05Å; F270-F301 AromaticContact CE2-CZ 3.85Å; F270-F301 HydrophobicContact CE2-CZ 3.85Å; F270-F301 AromaticContact CZ-CD1 3.98Å; F270-F301 HydrophobicContact CZ-CD1 3.98Å; F270-F301 AromaticContact CZ-CE1 3.51Å; F270-F301 HydrophobicContact CZ-CE1 3.51Å; F270-F301 HydrophobicContact CZ-CE2 4.42Å; F270-F301 AromaticContact CZ-CZ 3.74Å; F270-F301 HydrophobicContact CZ-CZ 3.74Å; V282-F301 HydrophobicContact CB-CZ 4.41Å; V282-F301 HydrophobicContact CG1-CZ 4.34Å; V282-F301 HydrophobicContact CG2-CZ 4.09Å; A293-F301 CarbonylContact O-C 3.5Å; A293-F301 VanDerWaalsContact O-CA 3.23Å; A293-F301 WeakPolarHBondContact O-CA 3.33Å; A293-F301 WeakPolarHBondContact O-CB 3.43Å; F294-F301 HydrophobicContact CD1-CB 3.93Å; F294-F301 HydrophobicContact CE1-CB 4.3Å; F294-F301 HydrophobicContact CG-CB 4.47Å; F301-T303 HydrophobicContact CD2-CG2 3.51Å; F301-T303 HydrophobicContact CE2-CG2 3.49Å; F301-T303 VanDerWaalsContact CE2-CG2 3.49Å; F301-H313 HydrophobicContact CD1-CB 3.73Å; F301-H313 HydrophobicContact CD2-CB 4.43Å; F301-H313 AromaticContact CD2-ND1 3.91Å; F301-H313 HydrophobicContact CE1-CB 3.38Å; F301-H313 AromaticContact CE1-CG 3.92Å; F301-H313 HydrophobicContact CE2-CB 4.16Å; F301-H313 AromaticContact CE2-CG 3.92Å; F301-H313 AromaticContact CE2-ND1 3.39Å; F301-H313 WeakPolarHBondContact CE2-ND1 3.35Å; F301-H313 HydrophobicContact CG-CB 4.26Å; F301-H313 HydrophobicContact CZ-CB 3.65Å; F301-H313 AromaticContact CZ-CG 3.62Å; F301-H313 AromaticContact CZ-ND1 3.59Å; F301-H313 PolarHBondContact N-O 2.81Å; F301-H313 PolarHBondContact O-N 2.86Å; F301-F315 AromaticContact CD1-CE1 3.59Å; F301-F315 HydrophobicContact CD1-CE1 3.59Å; F301-F315 HydrophobicContact CD1-CE2 4.22Å; F301-F315 AromaticContact CD1-CZ 3.37Å; F301-F315 HydrophobicContact CD1-CZ 3.37Å; F301-F315 HydrophobicContact CE1-CD1 4.48Å; F301-F315 AromaticContact CE1-CE1 3.59Å; F301-F315 HydrophobicContact CE1-CE1 3.59Å; F301-F315 AromaticContact CE1-CZ 3.88Å; F301-F315 HydrophobicContact CE1-CZ 3.88Å; F301-F315 HydrophobicContact CG-CZ 4.4Å
302	A	96.8	Very high	94.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.7	176.2	0	0	0	0	0	110.8	I16 Y18 V292 A293 V310 R311 L312	I16-A302 HydrophobicContact CD1-CB 4.42Å; I16-A302 HydrophobicContact CG2-CB 3.87Å; Y18-A302 HydrophobicContact CE2-CB 3.76Å; V292-A302 WeakPolarHBondContact CA-O 3.08Å; A293-A302 PolarHBondContact N-O 3.04Å; A293-A302 PolarHBondContact O-N 2.76Å; A302-V310 HydrophobicContact CB-CG1 4.35Å; A302-R311 CarbonylContact C-O 3.52Å; A302-R311 WeakPolarHBondContact CA-O 3.37Å; A302-L312 HydrophobicContact CB-CD2 3.54Å
303	T	96.9	Very high	94	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.2	177.6	61	0	0	0	0	111.5	I16 V268 H285 S291 V292 F301 V310 R311 H313	I16-T303 VanDerWaalsContact CD1-C 3.47Å; V268-T303 HydrophobicContact CG1-CG2 4.23Å; V268-T303 HydrophobicContact CG2-CG2 3.87Å; H285-T303 PolarHBondContact CE1-O 3.21Å; H285-T303 WeakPolarHBondContact NE2-CB 3.36Å; H285-T303 PolarHBondContact NE2-OG1 3.23Å; S291-T303 WeakPolarHBondContact O-CA 3.36Å; V292-T303 HydrophobicContact CB-CG2 4.45Å; V292-T303 HydrophobicContact CG1-CG2 3.9Å; F301-T303 HydrophobicContact CD2-CG2 3.51Å; F301-T303 HydrophobicContact CE2-CG2 3.49Å; F301-T303 VanDerWaalsContact CE2-CG2 3.49Å; T303-V310 CarbonylContact O-C 3.51Å; T303-V310 VanDerWaalsContact O-CA 3.29Å; T303-V310 WeakPolarHBondContact O-CA 3.37Å; T303-R311 PolarHBondContact N-O 3.06Å; T303-R311 PolarHBondContact O-N 3.06Å; T303-H313 PolarHBondContact OG1-CE1 2.98Å
304	G	95.7	Very high	93.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.1	-176.8	0	0	0	0	0	111	I16 V289 N290 S291	I16-G304 VanDerWaalsContact CD1-CA 3.5Å; V289-G304 CarbonylContact C-O 3.48Å; N290-G304 PolarHBondContact N-O 3.04Å; S291-G304 PolarHBondContact N-O 3.31Å; S291-G304 PolarHBondContact O-N 3.01Å
305	G	93.1	Very high	93.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	166	-177.6	0	0	0	0	0	114.4	I13 H285 P288 E307 G308 Y309	I13-G305 PolarHBondContact N-O 3.12Å; I13-G305 VanDerWaalsContact N-O 3.09Å; H285-G305 PolarHBondContact CE1-N 3.01Å; H285-G305 WeakPolarHBondContact ND1-CA 3.27Å; P288-G305 CarbonylContact O-C 3.55Å; P288-G305 WeakPolarHBondContact O-CA 3.05Å; G305-E307 PolarHBondContact O-N 3.23Å; G305-G308 PolarHBondContact O-N 2.75Å; G305-G308 VanDerWaalsContact O-N 3.17Å; G305-Y309 PolarHBondContact N-O 2.79Å; G305-Y309 VanDerWaalsContact N-O 3.09Å
306	E	91.9	Very high	93.3	Very high	56 Å²	56	27.2 Å²	27.2	26%	0.262	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.7	168.4	-168	67.5	-163.1	0	0	112.3	P12 K30 P288 N290 G308	P12-E306 WeakPolarHBondContact CA-O 3.3Å; P12-E306 VanDerWaalsContact CB-CD 3.48Å; P12-E306 HydrophobicContact CB-CG 4.31Å; P12-E306 WeakPolarHBondContact CB-OE2 3.36Å; P12-E306 HydrophobicContact CG-CG 4.05Å; P12-E306 VanDerWaalsContact CG-O 3.3Å; P12-E306 WeakPolarHBondContact CG-O 3.04Å; P12-E306 WeakPolarHBondContact CG-OE1 3.49Å; K30-E306 IonicContact NZ-OE1 3.22Å; K30-E306 PolarHBondContact NZ-OE1 3.03Å; K30-E306 IonicContact NZ-OE2 2.89Å; P288-E306 PolarHBondContact O-N 3.33Å; N290-E306 PolarHBondContact ND2-OE2 3.46Å; E306-G308 PolarHBondContact O-N 3.48Å
307	E	89.4	Confident	92.9	Very high	46 Å²	46	29.7 Å²	29.7	22%	0.215	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.1	176.2	67.6	-156.5	175.4	0	0	114.7	H285 F286 G305 Y309 R311	H285-E307 IonicContact CE1-OE1 3.88Å; H285-E307 IonicContact CG-OE1 3.94Å; H285-E307 IonicContact ND1-OE1 3.8Å; H285-E307 PolarHBondContact ND1-OE1 3.01Å; H285-E307 VanDerWaalsContact ND1-OE1 3.13Å; F286-E307 WeakPolarHBondContact CA-OE2 3.44Å; F286-E307 WeakPolarHBondContact CB-OE2 3.45Å; F286-E307 VanDerWaalsContact CD2-OE2 3.28Å; F286-E307 WeakPolarHBondContact CD2-OE2 3.44Å; F286-E307 PolarHBondContact N-OE2 3.17Å; G305-E307 PolarHBondContact O-N 3.23Å; E307-Y309 HydrophobicContact CB-CD2 4.46Å; E307-Y309 HydrophobicContact CG-CD2 3.71Å; E307-Y309 HydrophobicContact CG-CE2 4.46Å; E307-Y309 HydrophobicContact CG-CG 4Å; E307-R311 IonicContact OE1-CZ 2.63Å; E307-R311 IonicContact OE1-NH1 3.13Å; E307-R311 PolarHBondContact OE1-NH1 3.28Å; E307-R311 IonicContact OE1-NH2 3.85Å; E307-R311 PolarHBondContact OE1-NH2 3.48Å; E307-R311 IonicContact OE2-NH2 3.08Å
308	G	91.7	Very high	92.5	Very high	1 Å²	1	32 Å²	32	1%	0.01	17%	0.171	C	C	.	.	S	Bend	trans	86.9	0.9	-179	0	0	0	0	0	115.3	R11 G305 E306	R11-G308 WeakPolarHBondContact O-CA 3.04Å; G305-G308 PolarHBondContact O-N 2.75Å; G305-G308 VanDerWaalsContact O-N 3.17Å; E306-G308 PolarHBondContact O-N 3.48Å
309	Y	93.3	Very high	92.2	Very high	93 Å²	93	33.4 Å²	33.4	37%	0.365	18%	0.176	S	C	.	.			trans	-89.6	142.1	173.2	-55	-32.5	0	0	0	111.8	I5 N7 G305 E307	I5-Y309 HydrophobicContact CG2-CG 4.3Å; N7-Y309 WeakPolarHBondContact OD1-CD1 3.31Å; N7-Y309 WeakPolarHBondContact OD1-CE1 3.23Å; G305-Y309 PolarHBondContact N-O 2.79Å; G305-Y309 VanDerWaalsContact N-O 3.09Å; E307-Y309 HydrophobicContact CB-CD2 4.46Å; E307-Y309 HydrophobicContact CG-CD2 3.71Å; E307-Y309 HydrophobicContact CG-CE2 4.46Å; E307-Y309 HydrophobicContact CG-CG 4Å
310	V	95.4	Very high	91.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.8	165.9	178.1	0	0	0	0	108.2	L6 I13 I16 T27 A302 T303 L312	L6-V310 HydrophobicContact CB-CB 4.14Å; L6-V310 HydrophobicContact CD1-CB 4.13Å; L6-V310 HydrophobicContact CD1-CG1 3.95Å; L6-V310 HydrophobicContact CG-CB 4.4Å; L6-V310 PolarHBondContact N-O 3.04Å; L6-V310 PolarHBondContact O-N 2.87Å; I13-V310 HydrophobicContact CD1-CG2 3.74Å; I13-V310 HydrophobicContact CG1-CG2 3.78Å; I13-V310 HydrophobicContact CG2-CG2 4.35Å; I16-V310 HydrophobicContact CD1-CG1 3.79Å; I16-V310 HydrophobicContact CD1-CG2 4.06Å; I16-V310 HydrophobicContact CG1-CG2 4.41Å; T27-V310 HydrophobicContact CG2-CG1 4.39Å; T27-V310 HydrophobicContact CG2-CG2 3.86Å; A302-V310 HydrophobicContact CB-CG1 4.35Å; T303-V310 CarbonylContact O-C 3.51Å; T303-V310 VanDerWaalsContact O-CA 3.29Å; T303-V310 WeakPolarHBondContact O-CA 3.37Å; V310-L312 HydrophobicContact CG1-CD2 4.18Å
311	R	95	Very high	90.8	Very high	10 Å²	10	37.9 Å²	37.9	4%	0.038	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.1	174.3	-67.7	-173	-177.7	68.3	7.1	109.3	T4 I5 G284 H285 A302 T303 E307 H313	T4-R311 WeakPolarHBondContact O-CA 3.33Å; I5-R311 HydrophobicContact CG1-CG 4.38Å; G284-R311 VanDerWaalsContact C-CZ 3.4Å; G284-R311 PolarHBondContact O-NH2 2.99Å; H285-R311 PolarHBondContact CD2-NH1 2.91Å; H285-R311 PolarHBondContact CE1-NH1 2.81Å; H285-R311 PolarHBondContact ND1-NH1 2.99Å; H285-R311 PolarHBondContact NE2-NH1 2.78Å; A302-R311 CarbonylContact C-O 3.52Å; A302-R311 WeakPolarHBondContact CA-O 3.37Å; T303-R311 PolarHBondContact N-O 3.06Å; T303-R311 PolarHBondContact O-N 3.06Å; E307-R311 IonicContact OE1-CZ 2.63Å; E307-R311 IonicContact OE1-NH1 3.13Å; E307-R311 PolarHBondContact OE1-NH1 3.28Å; E307-R311 IonicContact OE1-NH2 3.85Å; E307-R311 PolarHBondContact OE1-NH2 3.48Å; E307-R311 IonicContact OE2-NH2 3.08Å; R311-H313 VanDerWaalsContact CB-CE1 3.43Å; R311-H313 WeakPolarHBondContact CB-CE1 3.46Å; R311-H313 PolarHBondContact O-ND1 2.9Å
312	L	95.3	Very high	89.9	Confident	7 Å²	7	39.7 Å²	39.7	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130	169.8	-55.2	-173.3	0	0	0	109.1	P3 T4 L6 I25 A302 V310	P3-L312 CarbonylContact C-O 3.47Å; P3-L312 VanDerWaalsContact CA-O 3.25Å; P3-L312 WeakPolarHBondContact CA-O 3.49Å; T4-L312 PolarHBondContact N-O 3.44Å; T4-L312 PolarHBondContact O-N 2.92Å; L6-L312 HydrophobicContact CD1-CD1 3.9Å; L6-L312 HydrophobicContact CD1-CD2 3.94Å; L6-L312 HydrophobicContact CD1-CG 3.8Å; L6-L312 HydrophobicContact CD2-CD1 3.96Å; L6-L312 HydrophobicContact CD2-CG 4.24Å; L6-L312 HydrophobicContact CG-CD1 4.2Å; L6-L312 HydrophobicContact CG-CG 4Å; I25-L312 HydrophobicContact CD1-CD1 3.8Å; I25-L312 HydrophobicContact CD1-CD2 3.22Å; I25-L312 HydrophobicContact CD1-CG 4.14Å; A302-L312 HydrophobicContact CB-CD2 3.54Å; V310-L312 HydrophobicContact CG1-CD2 4.18Å
313	H	94	Very high	88.3	Confident	5 Å²	5	43 Å²	43	2%	0.023	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.9	-179.8	-61.1	97.9	0	0	0	109	M1 G300 F301 T303 R311	M1-H313 HydrophobicContact CE-CB 3.57Å; M1-H313 WeakPolarHBondContact CE-CD2 3.45Å; M1-H313 VanDerWaalsContact CE-CG 3.4Å; G300-H313 CarbonylContact C-O 3.59Å; G300-H313 WeakPolarHBondContact CA-O 3.39Å; F301-H313 HydrophobicContact CD1-CB 3.73Å; F301-H313 HydrophobicContact CD2-CB 4.43Å; F301-H313 AromaticContact CD2-ND1 3.91Å; F301-H313 HydrophobicContact CE1-CB 3.38Å; F301-H313 AromaticContact CE1-CG 3.92Å; F301-H313 HydrophobicContact CE2-CB 4.16Å; F301-H313 AromaticContact CE2-CG 3.92Å; F301-H313 AromaticContact CE2-ND1 3.39Å; F301-H313 WeakPolarHBondContact CE2-ND1 3.35Å; F301-H313 HydrophobicContact CG-CB 4.26Å; F301-H313 HydrophobicContact CZ-CB 3.65Å; F301-H313 AromaticContact CZ-CG 3.62Å; F301-H313 AromaticContact CZ-ND1 3.59Å; F301-H313 PolarHBondContact N-O 2.81Å; F301-H313 PolarHBondContact O-N 2.86Å; T303-H313 PolarHBondContact OG1-CE1 2.98Å; R311-H313 VanDerWaalsContact CB-CE1 3.43Å; R311-H313 WeakPolarHBondContact CB-CE1 3.46Å; R311-H313 PolarHBondContact O-ND1 2.9Å
314	T	92.3	Very high	86.2	Confident	80 Å²	80	50.4 Å²	50.4	49%	0.491	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.8	168.9	-47.6	0	0	0	0	109	M1	M1-T314 WeakPolarHBondContact CA-O 3.35Å; M1-T314 WeakPolarHBondContact CB-O 3.34Å
315	F	91.5	Very high	84.2	Confident	16 Å²	16	58.8 Å²	58.8	7%	0.07	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-72.6	139.1	174.5	-65.2	-55.8	0	0	0	110.6	F270 F294 S299 F301 Y319	F270-F315 HydrophobicContact CE1-CE1 4.06Å; F270-F315 AromaticContact CE1-CZ 3.99Å; F270-F315 HydrophobicContact CE1-CZ 3.99Å; F270-F315 AromaticContact CZ-CE1 3.83Å; F270-F315 HydrophobicContact CZ-CE1 3.83Å; F270-F315 HydrophobicContact CZ-CZ 4.02Å; F294-F315 HydrophobicContact CD1-CE2 4.41Å; F294-F315 HydrophobicContact CE1-CE2 4.2Å; F294-F315 AromaticContact CE1-CZ 3.94Å; F294-F315 HydrophobicContact CE1-CZ 3.94Å; S299-F315 VanDerWaalsContact C-CD2 3.42Å; S299-F315 WeakPolarHBondContact O-CB 3.39Å; S299-F315 VanDerWaalsContact O-CD2 3.27Å; S299-F315 WeakPolarHBondContact O-CD2 3.14Å; S299-F315 PolarHBondContact O-N 3.46Å; F301-F315 AromaticContact CD1-CE1 3.59Å; F301-F315 HydrophobicContact CD1-CE1 3.59Å; F301-F315 HydrophobicContact CD1-CE2 4.22Å; F301-F315 AromaticContact CD1-CZ 3.37Å; F301-F315 HydrophobicContact CD1-CZ 3.37Å; F301-F315 HydrophobicContact CE1-CD1 4.48Å; F301-F315 AromaticContact CE1-CE1 3.59Å; F301-F315 HydrophobicContact CE1-CE1 3.59Å; F301-F315 AromaticContact CE1-CZ 3.88Å; F301-F315 HydrophobicContact CE1-CZ 3.88Å; F301-F315 HydrophobicContact CG-CZ 4.4Å; F315-Y319 HydrophobicContact CB-CD1 3.56Å; F315-Y319 HydrophobicContact CB-CE1 4.26Å; F315-Y319 HydrophobicContact CB-CG 4.11Å; F315-Y319 AromaticContact CD1-CD1 3.4Å; F315-Y319 HydrophobicContact CD1-CD1 3.4Å; F315-Y319 VanDerWaalsContact CD1-CD1 3.4Å; F315-Y319 HydrophobicContact CD1-CD2 4.07Å; F315-Y319 AromaticContact CD1-CE1 3.55Å; F315-Y319 HydrophobicContact CD1-CE1 3.55Å; F315-Y319 HydrophobicContact CD1-CE2 4.2Å; F315-Y319 AromaticContact CD1-CG 3.66Å; F315-Y319 HydrophobicContact CD1-CG 3.66Å; F315-Y319 AromaticContact CD1-CZ 3.94Å; F315-Y319 AromaticContact CD2-CD1 3.77Å; F315-Y319 HydrophobicContact CD2-CD1 3.77Å; F315-Y319 AromaticContact CD2-CE1 3.55Å; F315-Y319 HydrophobicContact CD2-CE1 3.55Å; F315-Y319 AromaticContact CE1-CD1 3.99Å; F315-Y319 HydrophobicContact CE1-CD1 3.99Å; F315-Y319 HydrophobicContact CE1-CD2 4.29Å; F315-Y319 AromaticContact CE1-CE1 3.64Å; F315-Y319 HydrophobicContact CE1-CE1 3.64Å; F315-Y319 AromaticContact CE1-CE2 3.98Å; F315-Y319 HydrophobicContact CE1-CE2 3.98Å; F315-Y319 HydrophobicContact CE1-CG 4.28Å; F315-Y319 AromaticContact CE1-CZ 3.63Å; F315-Y319 HydrophobicContact CE2-CD1 4.33Å; F315-Y319 AromaticContact CE2-CE1 3.67Å; F315-Y319 HydrophobicContact CE2-CE1 3.67Å; F315-Y319 AromaticContact CG-CD1 3.29Å; F315-Y319 HydrophobicContact CG-CD1 3.29Å; F315-Y319 AromaticContact CG-CE1 3.51Å; F315-Y319 HydrophobicContact CG-CE1 3.51Å; F315-Y319 AromaticContact CG-CG 3.96Å; F315-Y319 HydrophobicContact CG-CG 3.96Å; F315-Y319 HydrophobicContact CZ-CD1 4.42Å; F315-Y319 AromaticContact CZ-CE1 3.71Å; F315-Y319 HydrophobicContact CZ-CE1 3.71Å; F315-Y319 AromaticContact CZ-CZ 3.77Å
316	D	89.2	Confident	82.3	Confident	71 Å²	71	62.3 Å²	62.3	38%	0.38	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-86.9	166.2	173.7	-60	2.3	0	0	0	109.1	M1 E318 Y319	M1-D316 WeakPolarHBondContact CA-OD1 3.44Å; M1-D316 PolarHBondContact N-OD1 3.44Å; M1-D316 PolarHBondContact N-OD2 2.94Å; D316-E318 PolarHBondContact O-N 3.37Å; D316-E318 VanDerWaalsContact O-N 3.15Å; D316-Y319 WeakPolarHBondContact O-CB 3.34Å; D316-Y319 PolarHBondContact O-N 3.24Å
317	S	84.9	Confident	80	Confident	85 Å²	85	68.5 Å²	68.5	59%	0.594	33%	0.333	S	S	*	.	H	α-helix	trans	-55.6	-33	177.5	55.2	0	0	0	0	113.3	Y319 N320 D321	S317-Y319 PolarHBondContact O-N 2.82Å; S317-N320 WeakPolarHBondContact O-CA 3.36Å; S317-N320 VanDerWaalsContact O-CB 3.28Å; S317-N320 WeakPolarHBondContact O-CB 3.4Å; S317-N320 PolarHBondContact O-N 2.7Å; S317-D321 PolarHBondContact O-N 2.65Å
318	E	84.3	Confident	79.5	Confident	141 Å²	141	69.6 Å²	69.6	66%	0.659	34%	0.339	S	S	*	.	H	α-helix	trans	-60.9	-32	176.8	-64.2	-176.7	175.4	0	0	113.2	D316 D321	D316-E318 PolarHBondContact O-N 3.37Å; D316-E318 VanDerWaalsContact O-N 3.15Å; E318-D321 PolarHBondContact O-N 2.55Å
319	Y	85.6	Confident	78.8	Confident	31 Å²	31	73.2 Å²	73.2	12%	0.122	36%	0.356	C	S	.	.	H	α-helix	trans	-70.4	-36.8	173.7	179.1	-102.2	0	0	0	110.2	R242 H244 F270 F279 F315 D316 S317 D321 L322	R242-Y319 VanDerWaalsContact CZ-CD1 3.48Å; R242-Y319 VanDerWaalsContact CZ-CE1 3.42Å; R242-Y319 VanDerWaalsContact NH1-CE1 3.29Å; R242-Y319 PolarHBondContact NH1-O 3.06Å; H244-Y319 AromaticContact ND1-CZ 3.56Å; H244-Y319 PolarHBondContact ND1-OH 2.88Å; F270-Y319 HydrophobicContact CE1-CE2 4.44Å; F279-Y319 HydrophobicContact CE2-CE2 4.22Å; F315-Y319 HydrophobicContact CB-CD1 3.56Å; F315-Y319 HydrophobicContact CB-CE1 4.26Å; F315-Y319 HydrophobicContact CB-CG 4.11Å; F315-Y319 AromaticContact CD1-CD1 3.4Å; F315-Y319 HydrophobicContact CD1-CD1 3.4Å; F315-Y319 VanDerWaalsContact CD1-CD1 3.4Å; F315-Y319 HydrophobicContact CD1-CD2 4.07Å; F315-Y319 AromaticContact CD1-CE1 3.55Å; F315-Y319 HydrophobicContact CD1-CE1 3.55Å; F315-Y319 HydrophobicContact CD1-CE2 4.2Å; F315-Y319 AromaticContact CD1-CG 3.66Å; F315-Y319 HydrophobicContact CD1-CG 3.66Å; F315-Y319 AromaticContact CD1-CZ 3.94Å; F315-Y319 AromaticContact CD2-CD1 3.77Å; F315-Y319 HydrophobicContact CD2-CD1 3.77Å; F315-Y319 AromaticContact CD2-CE1 3.55Å; F315-Y319 HydrophobicContact CD2-CE1 3.55Å; F315-Y319 AromaticContact CE1-CD1 3.99Å; F315-Y319 HydrophobicContact CE1-CD1 3.99Å; F315-Y319 HydrophobicContact CE1-CD2 4.29Å; F315-Y319 AromaticContact CE1-CE1 3.64Å; F315-Y319 HydrophobicContact CE1-CE1 3.64Å; F315-Y319 AromaticContact CE1-CE2 3.98Å; F315-Y319 HydrophobicContact CE1-CE2 3.98Å; F315-Y319 HydrophobicContact CE1-CG 4.28Å; F315-Y319 AromaticContact CE1-CZ 3.63Å; F315-Y319 HydrophobicContact CE2-CD1 4.33Å; F315-Y319 AromaticContact CE2-CE1 3.67Å; F315-Y319 HydrophobicContact CE2-CE1 3.67Å; F315-Y319 AromaticContact CG-CD1 3.29Å; F315-Y319 HydrophobicContact CG-CD1 3.29Å; F315-Y319 AromaticContact CG-CE1 3.51Å; F315-Y319 HydrophobicContact CG-CE1 3.51Å; F315-Y319 AromaticContact CG-CG 3.96Å; F315-Y319 HydrophobicContact CG-CG 3.96Å; F315-Y319 HydrophobicContact CZ-CD1 4.42Å; F315-Y319 AromaticContact CZ-CE1 3.71Å; F315-Y319 HydrophobicContact CZ-CE1 3.71Å; F315-Y319 AromaticContact CZ-CZ 3.77Å; D316-Y319 WeakPolarHBondContact O-CB 3.34Å; D316-Y319 PolarHBondContact O-N 3.24Å; S317-Y319 PolarHBondContact O-N 2.82Å; Y319-D321 PolarHBondContact O-N 3.49Å; Y319-L322 HydrophobicContact CD2-CD2 4.36Å; Y319-L322 HydrophobicContact CE2-CD2 4.33Å; Y319-L322 WeakPolarHBondContact O-CB 3.46Å; Y319-L322 PolarHBondContact O-N 3.38Å; Y319-L322 VanDerWaalsContact O-N 3.07Å
320	N	77.7	Confident	78	Confident	84 Å²	84	72.1 Å²	72.1	45%	0.449	36%	0.355	S	S	.	.	H	α-helix	trans	-60.6	-30.6	176.2	-56.9	-12.3	0	0	0	112.7	R242 S317 L322	R242-N320 PolarHBondContact NH2-OD1 2.9Å; S317-N320 WeakPolarHBondContact O-CA 3.36Å; S317-N320 VanDerWaalsContact O-CB 3.28Å; S317-N320 WeakPolarHBondContact O-CB 3.4Å; S317-N320 PolarHBondContact O-N 2.7Å; N320-L322 VanDerWaalsContact C-N 3.31Å
321	D	78.1	Confident	77	Confident	67 Å²	67	76.2 Å²	76.2	36%	0.358	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-3.9	178.4	-60.2	-25.6	0	0	0	113.5	S317 E318 Y319 D323 Q324	S317-D321 PolarHBondContact O-N 2.65Å; E318-D321 PolarHBondContact O-N 2.55Å; Y319-D321 PolarHBondContact O-N 3.49Å; D321-D323 VanDerWaalsContact C-N 3.31Å; D321-D323 PolarHBondContact O-N 3.45Å; D321-Q324 WeakPolarHBondContact O-CB 3.16Å; D321-Q324 PolarHBondContact O-N 2.89Å; D321-Q324 VanDerWaalsContact O-N 3.13Å
322	L	75.4	Confident	75.9	Confident	39 Å²	39	80.4 Å²	80.4	20%	0.204	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-61.8	-37.7	-174.6	-171.5	69.4	0	0	0	112.5	F279 Y319 N320 Q324 R325 L326	F279-L322 HydrophobicContact CD2-CD2 3.59Å; F279-L322 HydrophobicContact CE2-CD2 3.42Å; F279-L322 VanDerWaalsContact CE2-CD2 3.42Å; F279-L322 HydrophobicContact CG-CD2 4.48Å; F279-L322 HydrophobicContact CZ-CD2 4.18Å; Y319-L322 HydrophobicContact CD2-CD2 4.36Å; Y319-L322 HydrophobicContact CE2-CD2 4.33Å; Y319-L322 WeakPolarHBondContact O-CB 3.46Å; Y319-L322 PolarHBondContact O-N 3.38Å; Y319-L322 VanDerWaalsContact O-N 3.07Å; N320-L322 VanDerWaalsContact C-N 3.31Å; L322-Q324 PolarHBondContact O-N 2.85Å; L322-R325 PolarHBondContact O-N 3.02Å; L322-L326 HydrophobicContact CD1-CD1 4.37Å; L322-L326 HydrophobicContact CD2-CD1 4.14Å; L322-L326 HydrophobicContact CG-CD1 3.84Å; L322-L326 HydrophobicContact CG-CG 4.36Å; L322-L326 PolarHBondContact O-N 2.91Å
323	D	63.6	Low	74.6	Confident	68 Å²	68	85.3 Å²	85.3	36%	0.364	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-66	-21.4	-179	-60.4	-8.4	0	0	0	111.8	H244 D321	H244-D323 IonicContact CE1-OD1 2.97Å; H244-D323 PolarHBondContact CE1-OD1 3.33Å; H244-D323 IonicContact NE2-OD1 3.8Å; D321-D323 VanDerWaalsContact C-N 3.31Å; D321-D323 PolarHBondContact O-N 3.45Å
324	Q	53.5	Low	73.2	Confident	156 Å²	156	91 Å²	91	73%	0.729	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-83.2	-11	173.6	-62.7	-176	3.1	0	0	113.5	D321 L322	D321-Q324 WeakPolarHBondContact O-CB 3.16Å; D321-Q324 PolarHBondContact O-N 2.89Å; D321-Q324 VanDerWaalsContact O-N 3.13Å; L322-Q324 PolarHBondContact O-N 2.85Å
325	R	52.7	Low	71.7	Confident	176 Å²	176	91.8 Å²	91.8	66%	0.664	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-13.9	-177	-67.9	-173.9	-175.6	165.1	5.4	114	L322	L322-R325 PolarHBondContact O-N 3.02Å
326	L	53.5	Low	70.1	Confident	75 Å²	75	98.2 Å²	98.2	39%	0.393	48%	0.477	S	S	.	.			trans	-88.4	9.5	178.5	-69	171.2	0	0	0	112.9	L322	L322-L326 HydrophobicContact CD1-CD1 4.37Å; L322-L326 HydrophobicContact CD2-CD1 4.14Å; L322-L326 HydrophobicContact CG-CD1 3.84Å; L322-L326 HydrophobicContact CG-CG 4.36Å; L322-L326 PolarHBondContact O-N 2.91Å
327	F	42.8	Very low	68.4	Low	185 Å²	185	100.6 Å²	100.6	81%	0.811	49%	0.486	S	S	*	.			trans	-143.9	0	169.5	-58.5	-70.4	0	0	0	110.6	Y275	Y275-F327 AromaticContact CE2-CE1 3.88Å; Y275-F327 HydrophobicContact CE2-CE1 3.88Å; Y275-F327 AromaticContact CE2-CZ 3.56Å; Y275-F327 HydrophobicContact CE2-CZ 3.56Å; Y275-F327 AromaticContact CZ-CE1 3.77Å; Y275-F327 AromaticContact CZ-CZ 3.77Å; Y275-F327 WeakPolarHBondContact OH-CE1 3.42Å; Y275-F327 WeakPolarHBondContact OH-CZ 3.3Å

Retrieved 327 of 327 residues in 357.9 ms (Link to these results)

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