A0A5K4FG21_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FG21, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 413 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.1	Low	68.2	Low	127 Å²	127	84.1 Å²	84.1	63%	0.626	44%	0.444	S	S	*	.				0	124.2	0	-156.4	-178.8	-78	0	0	104.6	D5 K330 W332	M1-D5 HydrophobicContact CG-CB 4.04Å; M1-K330 HydrophobicContact CE-CD 4.33Å; M1-K330 HydrophobicContact SD-CD 4.36Å; M1-W332 HydrophobicContact CE-CH2 3.43Å; M1-W332 VanDerWaalsContact CE-CH2 3.43Å; M1-W332 HydrophobicContact CE-CZ3 3.57Å; M1-W332 HydrophobicContact SD-CH2 4.4Å; M1-W332 HydrophobicContact SD-CZ3 4.49Å
2	D	56.2	Low	67.5	Low	108 Å²	108	81.2 Å²	81.2	58%	0.578	45%	0.449	S	S	*	.			trans	-69.6	145.9	-177.6	-77.5	-33.2	0	0	0	109.1	S4 D5	D2-S4 VanDerWaalsContact CB-OG 3.25Å; D2-S4 WeakPolarHBondContact CB-OG 3.35Å; D2-S4 PolarHBondContact O-N 2.54Å; D2-D5 PolarHBondContact N-OD2 3.43Å; D2-D5 WeakPolarHBondContact O-CB 3.33Å; D2-D5 PolarHBondContact O-N 3.34Å
3	P	55.1	Low	66.8	Low	121 Å²	121	88.8 Å²	88.8	79%	0.786	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-57.4	-19.4	174.8	-21.8	31.5	0	0	0	113	D5	P3-D5 VanDerWaalsContact C-N 3.26Å; P3-D5 PolarHBondContact O-N 3.28Å
4	S	63.6	Low	67.1	Low	60 Å²	60	83.1 Å²	83.1	42%	0.42	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-66.4	-25.7	172.2	51.4	0	0	0	0	113.2	D2 Q6 R47	D2-S4 VanDerWaalsContact CB-OG 3.25Å; D2-S4 WeakPolarHBondContact CB-OG 3.35Å; D2-S4 PolarHBondContact O-N 2.54Å; S4-Q6 VanDerWaalsContact C-N 3.29Å; S4-Q6 PolarHBondContact O-N 3.25Å; S4-R47 PolarHBondContact O-NH2 3.47Å
5	D	80.4	Confident	68.2	Low	58 Å²	58	78.2 Å²	78.2	31%	0.31	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-89.5	2.4	-171.6	-54.2	-21.1	0	0	0	112.5	M1 D2 P3 F331	M1-D5 HydrophobicContact CG-CB 4.04Å; D2-D5 PolarHBondContact N-OD2 3.43Å; D2-D5 WeakPolarHBondContact O-CB 3.33Å; D2-D5 PolarHBondContact O-N 3.34Å; P3-D5 VanDerWaalsContact C-N 3.26Å; P3-D5 PolarHBondContact O-N 3.28Å; D5-F331 PolarHBondContact O-N 3.28Å
6	Q	82.8	Confident	69.7	Low	53 Å²	53	73.3 Å²	73.3	25%	0.248	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.6	-177.9	-172.9	169	-35.4	0	0	111.2	S4 D8 S328 I329 K330	S4-Q6 VanDerWaalsContact C-N 3.29Å; S4-Q6 PolarHBondContact O-N 3.25Å; Q6-D8 PolarHBondContact NE2-OD1 2.95Å; Q6-S328 PolarHBondContact NE2-OG 3.01Å; Q6-I329 CarbonylContact C-O 3.56Å; Q6-I329 VanDerWaalsContact CA-O 3.28Å; Q6-I329 WeakPolarHBondContact CA-O 3.19Å; Q6-I329 WeakPolarHBondContact CG-O 3.26Å; Q6-K330 HydrophobicContact CG-CG 4.31Å
7	L	82.6	Confident	71.1	Confident	11 Å²	11	70.4 Å²	70.4	6%	0.058	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	109.7	169.2	171.4	57.3	0	0	0	108.9	L30 Y42 R47 S328 I329 F331	L7-L30 HydrophobicContact CD2-CD2 4.3Å; L7-Y42 HydrophobicContact CD1-CE1 4.26Å; L7-Y42 HydrophobicContact CD2-CD1 4.04Å; L7-Y42 HydrophobicContact CD2-CD2 3.86Å; L7-Y42 HydrophobicContact CD2-CE1 4.2Å; L7-Y42 HydrophobicContact CD2-CE2 4.03Å; L7-Y42 HydrophobicContact CD2-CG 3.86Å; L7-R47 HydrophobicContact CD1-CB 4.07Å; L7-R47 WeakPolarHBondContact CD1-O 3.12Å; L7-R47 HydrophobicContact CD2-CB 4.49Å; L7-S328 WeakPolarHBondContact O-CA 3.38Å; L7-I329 HydrophobicContact CB-CB 4.27Å; L7-I329 HydrophobicContact CD2-CD1 4.28Å; L7-I329 PolarHBondContact N-O 2.91Å; L7-I329 PolarHBondContact O-N 2.78Å; L7-F331 HydrophobicContact CB-CE2 3.81Å; L7-F331 HydrophobicContact CB-CZ 4.18Å
8	D	83.4	Confident	72.4	Confident	89 Å²	89	66.9 Å²	66.9	48%	0.476	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.1	174.6	-67.1	-32.6	0	0	0	110.7	Q6 K10 S328	Q6-D8 PolarHBondContact NE2-OD1 2.95Å; D8-K10 PolarHBondContact O-N 3.3Å; D8-S328 WeakPolarHBondContact OD1-CB 3.24Å
9	L	77.4	Confident	73.6	Confident	9 Å²	9	63.8 Å²	63.8	5%	0.047	36%	0.356	C	S	.	.			trans	-71.7	95.2	172.9	-61.3	-178.6	0	0	0	109.3	I11 I16 V32 T34 Y42 S327	L9-I11 PolarHBondContact O-N 3.33Å; L9-I16 HydrophobicContact CD1-CD1 3.59Å; L9-I16 HydrophobicContact CD1-CG1 3.64Å; L9-I16 HydrophobicContact CG-CD1 4.17Å; L9-V32 HydrophobicContact CD1-CG1 4.24Å; L9-T34 HydrophobicContact CD1-CG2 4.45Å; L9-Y42 HydrophobicContact CD2-CE2 3.96Å; L9-Y42 WeakPolarHBondContact CD2-OH 2.89Å; L9-S327 WeakPolarHBondContact CB-O 3.26Å; L9-S327 WeakPolarHBondContact CG-O 3.4Å; L9-S327 PolarHBondContact N-O 2.87Å
10	K	67.2	Low	74.8	Confident	180 Å²	180	62.6 Å²	62.6	78%	0.783	35%	0.348	S	S	*	.			trans	-66.1	96.8	168.9	-62.9	-179.6	-178	176.3	0	108.2	D8	D8-K10 PolarHBondContact O-N 3.3Å
11	I	51.7	Low	75.9	Confident	109 Å²	109	60.3 Å²	60.3	56%	0.559	34%	0.335	S	S	*	.	S	Bend	trans	141.4	111.7	159.9	-71	151.3	0	0	0	110.1	L9	L9-I11 PolarHBondContact O-N 3.33Å
12	G	59.3	Low	78.1	Confident	49 Å²	49	54.4 Å²	54.4	51%	0.505	31%	0.306	S	S	.	.	S	Bend	trans	82.4	155.7	167.2	0	0	0	0	0	115	D14	G12-D14 PolarHBondContact O-N 3.03Å
13	L	59.2	Low	79.9	Confident	180 Å²	180	51.8 Å²	51.8	94%	0.942	29%	0.292	S	S	*	.	S	Bend	trans	-70	41.6	168.7	-68.9	159.6	0	0	0	111.2	G15	L13-G15 PolarHBondContact O-N 3.39Å
14	D	70.2	Confident	81.7	Confident	9 Å²	9	46.9 Å²	46.9	5%	0.048	26%	0.26	C	S	.	.			trans	-79.5	102.9	-179	-72.5	-13.2	0	0	0	108.3	G12 T34 N36 R38 R40	G12-D14 PolarHBondContact O-N 3.03Å; D14-T34 HydrophobicContact CB-CG2 4.18Å; D14-N36 PolarHBondContact OD1-ND2 2.76Å; D14-R38 IonicContact OD2-CZ 3.8Å; D14-R38 IonicContact OD2-NH1 2.82Å; D14-R38 PolarHBondContact OD2-NH1 3.33Å; D14-R40 IonicContact OD2-NH1 2.72Å; D14-R40 IonicContact OD2-NH2 3.75Å
15	G	84.4	Confident	82.9	Confident	10 Å²	10	47.1 Å²	47.1	10%	0.103	27%	0.272	C	S	.	.			trans	-59.6	147.8	169.9	0	0	0	0	0	112.4	L13 T34 C35 P324	L13-G15 PolarHBondContact O-N 3.39Å; G15-T34 CarbonylContact O-C 3.57Å; G15-T34 VanDerWaalsContact O-CA 3.26Å; G15-T34 WeakPolarHBondContact O-CA 3.17Å; G15-T34 WeakPolarHBondContact O-CB 3.27Å; G15-C35 PolarHBondContact O-N 3.24Å; G15-C35 PolarHBondContact O-SG 2.91Å; G15-P324 WeakPolarHBondContact CA-O 3.41Å
16	I	91.5	Very high	83.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.4	178.3	-53.2	177.7	0	0	0	109.3	L9 T19 V32 T322 C323 P324 I329	L9-I16 HydrophobicContact CD1-CD1 3.59Å; L9-I16 HydrophobicContact CD1-CG1 3.64Å; L9-I16 HydrophobicContact CG-CD1 4.17Å; I16-T19 HydrophobicContact CG2-CG2 4.02Å; I16-V32 HydrophobicContact CD1-CG1 4.28Å; I16-V32 HydrophobicContact CG1-CG1 4.34Å; I16-V32 HydrophobicContact CG2-CG1 3.78Å; I16-T322 HydrophobicContact CD1-CG2 4.3Å; I16-T322 HydrophobicContact CG2-CG2 3.95Å; I16-C323 CarbonylContact O-C 3.6Å; I16-P324 VanDerWaalsContact O-CA 3.27Å; I16-P324 WeakPolarHBondContact O-CA 3.31Å; I16-P324 VanDerWaalsContact O-N 3.11Å; I16-I329 HydrophobicContact CD1-CD1 4.06Å; I16-I329 HydrophobicContact CD1-CG1 3.4Å; I16-I329 VanDerWaalsContact CD1-CG1 3.4Å
17	S	92.9	Very high	83.9	Confident	23 Å²	23	54.7 Å²	54.7	16%	0.161	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-36.8	-176.6	59.8	0	0	0	0	113	G33 I60	S17-G33 PolarHBondContact N-O 3.4Å; S17-G33 PolarHBondContact OG-O 3.12Å; S17-I60 VanDerWaalsContact CB-O 3.3Å; S17-I60 WeakPolarHBondContact CB-O 3.32Å; S17-I60 PolarHBondContact OG-O 2.8Å
18	C	94.9	Very high	84.5	Confident	9 Å²	9	55.3 Å²	55.3	6%	0.061	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	152.4	-175.2	51.8	0	0	0	0	110.3	G33 I60 L63	C18-G33 PolarHBondContact N-O 3.35Å; C18-G33 PolarHBondContact O-N 3.44Å; C18-I60 VanDerWaalsContact SG-CG2 3.58Å; C18-L63 VanDerWaalsContact SG-CG 3.56Å
19	T	96.4	Very high	85.1	Confident	8 Å²	8	51.6 Å²	51.6	5%	0.049	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.4	174.3	46.7	0	0	0	0	109.6	I16 L30 A31 V32 S311 T322 I329	I16-T19 HydrophobicContact CG2-CG2 4.02Å; T19-L30 HydrophobicContact CG2-CD1 4.49Å; T19-A31 WeakPolarHBondContact CA-O 3.34Å; T19-V32 HydrophobicContact CG2-CB 4.4Å; T19-V32 HydrophobicContact CG2-CG1 4.2Å; T19-V32 HydrophobicContact CG2-CG2 4.18Å; T19-S311 WeakPolarHBondContact CB-OG 3.26Å; T19-S311 PolarHBondContact O-OG 2.88Å; T19-S311 PolarHBondContact OG1-OG 3.01Å; T19-T322 HydrophobicContact CG2-CG2 3.64Å; T19-I329 HydrophobicContact CG2-CD1 4.15Å
20	D	97.3	Very high	86	Confident	39 Å²	39	51.1 Å²	51.1	21%	0.209	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	150.2	169.7	-164.1	19	0	0	0	110.8	A31 S64 F65	D20-A31 PolarHBondContact N-O 3.06Å; D20-A31 VanDerWaalsContact N-O 3.07Å; D20-A31 PolarHBondContact O-N 3.38Å; D20-S64 VanDerWaalsContact OD2-CA 3.29Å; D20-S64 WeakPolarHBondContact OD2-CA 3.32Å; D20-F65 HydrophobicContact CB-CD2 4.07Å; D20-F65 PolarHBondContact OD2-N 2.98Å
21	F	96.8	Very high	87.4	Confident	14 Å²	14	42.6 Å²	42.6	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	149.7	176.4	-78	-80	0	0	0	111.3	I28 L29 L30 Y44 V312 H313 A320 F331	F21-I28 HydrophobicContact CD1-CG2 3.95Å; F21-I28 HydrophobicContact CE1-CG2 4.44Å; F21-L29 WeakPolarHBondContact CA-O 3.35Å; F21-L30 HydrophobicContact CD1-CB 4.09Å; F21-L30 HydrophobicContact CD1-CD1 4.04Å; F21-L30 HydrophobicContact CD2-CD1 4.22Å; F21-L30 HydrophobicContact CE1-CB 3.88Å; F21-L30 HydrophobicContact CE1-CD1 3.83Å; F21-L30 HydrophobicContact CE1-CD2 4.49Å; F21-L30 HydrophobicContact CE1-CG 4.27Å; F21-L30 HydrophobicContact CE2-CD1 4.02Å; F21-L30 HydrophobicContact CG-CD1 4.24Å; F21-L30 HydrophobicContact CZ-CD1 3.83Å; F21-Y44 AromaticContact CE1-CD2 3.72Å; F21-Y44 HydrophobicContact CE1-CD2 3.72Å; F21-Y44 HydrophobicContact CE1-CE2 4.34Å; F21-Y44 HydrophobicContact CE1-CG 4.05Å; F21-Y44 HydrophobicContact CZ-CD2 4.12Å; F21-Y44 HydrophobicContact CZ-CE2 4.33Å; F21-V312 WeakPolarHBondContact CD2-O 3.35Å; F21-H313 HydrophobicContact CE2-CB 4.45Å; F21-A320 HydrophobicContact CE2-CB 3.61Å; F21-A320 HydrophobicContact CZ-CB 4.02Å; F21-F331 HydrophobicContact CZ-CD1 4.27Å; F21-F331 AromaticContact CZ-CE1 3.88Å; F21-F331 HydrophobicContact CZ-CE1 3.88Å
22	A	96.2	Very high	89.5	Confident	4 Å²	4	37.4 Å²	37.4	3%	0.033	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	148.8	167.2	0	0	0	0	0	111.3	V24 L29 F65 Q70	A22-V24 HydrophobicContact CB-CG2 4.11Å; A22-L29 PolarHBondContact N-O 2.96Å; A22-L29 PolarHBondContact O-N 3.02Å; A22-F65 HydrophobicContact CB-CB 3.73Å; A22-F65 HydrophobicContact CB-CD1 3.74Å; A22-F65 HydrophobicContact CB-CD2 3.47Å; A22-F65 VanDerWaalsContact CB-CD2 3.47Å; A22-F65 HydrophobicContact CB-CE1 4.13Å; A22-F65 HydrophobicContact CB-CE2 3.87Å; A22-F65 HydrophobicContact CB-CG 3.38Å; A22-F65 HydrophobicContact CB-CZ 4.18Å; A22-Q70 HydrophobicContact CB-CB 4.23Å
23	N	94.9	Very high	91.2	Very high	53 Å²	53	35 Å²	35	28%	0.283	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.5	166.3	-168.8	9.1	0	0	0	108.4	G25 K27 Q70	N23-G25 PolarHBondContact OD1-O 2.78Å; N23-K27 PolarHBondContact OD1-O 2.9Å; N23-Q70 WeakPolarHBondContact O-CB 3.33Å; N23-Q70 PolarHBondContact O-OE1 2.76Å
24	V	93.1	Very high	92.8	Very high	18 Å²	18	26.5 Å²	26.5	11%	0.109	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	98.8	-177.9	-175.6	0	0	0	0	108.8	A22 D26 K27 L29 Q70 N71 I88	A22-V24 HydrophobicContact CB-CG2 4.11Å; V24-D26 PolarHBondContact O-N 3.34Å; V24-K27 PolarHBondContact N-O 3.45Å; V24-K27 PolarHBondContact O-N 3.35Å; V24-L29 HydrophobicContact CB-CD1 3.73Å; V24-L29 HydrophobicContact CB-CG 3.99Å; V24-L29 HydrophobicContact CG1-CD1 4.22Å; V24-L29 HydrophobicContact CG2-CB 4.46Å; V24-L29 HydrophobicContact CG2-CD1 3.58Å; V24-L29 HydrophobicContact CG2-CG 3.94Å; V24-Q70 HydrophobicContact CG2-CB 4.04Å; V24-Q70 WeakPolarHBondContact CG2-O 3.2Å; V24-N71 HydrophobicContact CG1-CB 4.06Å; V24-I88 HydrophobicContact CG1-CD1 3.61Å; V24-I88 HydrophobicContact CG1-CG1 3.94Å
25	G	89.1	Confident	93.8	Very high	64 Å²	64	28.2 Å²	28.2	66%	0.66	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	-122.3	-169.7	0	0	0	0	0	110.1	N23	N23-G25 PolarHBondContact OD1-O 2.78Å
26	D	90.3	Very high	94.1	Very high	173 Å²	173	31.2 Å²	31.2	93%	0.925	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	4.3	178.8	-58.4	-34.8	0	0	0	113.2	V24	V24-D26 PolarHBondContact O-N 3.34Å
27	K	93.6	Very high	94.2	Very high	98 Å²	98	31.2 Å²	31.2	43%	0.426	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.7	-173.8	-65.4	-175.8	171.2	-150.5	0	111.4	N23 V24 L29 D43	N23-K27 PolarHBondContact OD1-O 2.9Å; V24-K27 PolarHBondContact N-O 3.45Å; V24-K27 PolarHBondContact O-N 3.35Å; K27-L29 HydrophobicContact CB-CD2 4.12Å; K27-D43 WeakPolarHBondContact CD-OD2 3.48Å; K27-D43 WeakPolarHBondContact CE-OD2 3.28Å; K27-D43 IonicContact NZ-OD2 3.91Å; K27-D43 PolarHBondContact NZ-OD2 3.05Å
28	I	95.4	Very high	94.2	Very high	23 Å²	23	33.9 Å²	33.9	12%	0.118	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.4	169.1	-58.3	-180	0	0	0	107.4	F21 Y44 H313 P314	F21-I28 HydrophobicContact CD1-CG2 3.95Å; F21-I28 HydrophobicContact CE1-CG2 4.44Å; I28-Y44 HydrophobicContact CG2-CD1 4.47Å; I28-Y44 HydrophobicContact CG2-CG 4.4Å; I28-Y44 WeakPolarHBondContact O-CB 3.15Å; I28-Y44 PolarHBondContact O-N 3.48Å; I28-H313 WeakPolarHBondContact CD1-CE1 3.17Å; I28-H313 VanDerWaalsContact CD1-NE2 3.26Å; I28-H313 WeakPolarHBondContact CD1-NE2 3.48Å; I28-P314 HydrophobicContact CD1-CG 4.41Å; I28-P314 HydrophobicContact CG2-CG 3.93Å
29	L	96.2	Very high	94.2	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.058	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.9	179.2	-58.5	-170.1	0	0	0	110.6	F21 A22 V24 K27 I41 Y42 L51 F65 V87	F21-L29 WeakPolarHBondContact CA-O 3.35Å; A22-L29 PolarHBondContact N-O 2.96Å; A22-L29 PolarHBondContact O-N 3.02Å; V24-L29 HydrophobicContact CB-CD1 3.73Å; V24-L29 HydrophobicContact CB-CG 3.99Å; V24-L29 HydrophobicContact CG1-CD1 4.22Å; V24-L29 HydrophobicContact CG2-CB 4.46Å; V24-L29 HydrophobicContact CG2-CD1 3.58Å; V24-L29 HydrophobicContact CG2-CG 3.94Å; K27-L29 HydrophobicContact CB-CD2 4.12Å; L29-I41 HydrophobicContact CB-CG2 4.11Å; L29-I41 HydrophobicContact CD1-CG2 4.03Å; L29-I41 HydrophobicContact CD2-CG2 4.43Å; L29-I41 HydrophobicContact CG-CG2 4.43Å; L29-Y42 WeakPolarHBondContact CA-O 3.48Å; L29-L51 HydrophobicContact CD2-CD1 3.71Å; L29-F65 HydrophobicContact CB-CZ 4.36Å; L29-V87 HydrophobicContact CD1-CG2 3.91Å
30	L	96	Very high	94.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113.2	169.2	175.1	63.5	0	0	0	108.9	L7 T19 F21 V32 I41 Y42 I329 F331	L7-L30 HydrophobicContact CD2-CD2 4.3Å; T19-L30 HydrophobicContact CG2-CD1 4.49Å; F21-L30 HydrophobicContact CD1-CB 4.09Å; F21-L30 HydrophobicContact CD1-CD1 4.04Å; F21-L30 HydrophobicContact CD2-CD1 4.22Å; F21-L30 HydrophobicContact CE1-CB 3.88Å; F21-L30 HydrophobicContact CE1-CD1 3.83Å; F21-L30 HydrophobicContact CE1-CD2 4.49Å; F21-L30 HydrophobicContact CE1-CG 4.27Å; F21-L30 HydrophobicContact CE2-CD1 4.02Å; F21-L30 HydrophobicContact CG-CD1 4.24Å; F21-L30 HydrophobicContact CZ-CD1 3.83Å; L30-V32 HydrophobicContact CD2-CG2 4.34Å; L30-V32 HydrophobicContact CG-CG2 4.05Å; L30-I41 WeakPolarHBondContact O-CA 3.27Å; L30-Y42 PolarHBondContact N-O 3.32Å; L30-Y42 PolarHBondContact O-N 3.43Å; L30-I329 HydrophobicContact CD2-CD1 4.06Å; L30-I329 HydrophobicContact CD2-CG2 4.48Å; L30-F331 HydrophobicContact CD2-CE1 3.84Å; L30-F331 HydrophobicContact CD2-CZ 3.69Å
31	A	96.7	Very high	94	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	136.8	170.2	0	0	0	0	0	110.5	T19 D20 I41 F65 L73	T19-A31 WeakPolarHBondContact CA-O 3.34Å; D20-A31 PolarHBondContact N-O 3.06Å; D20-A31 VanDerWaalsContact N-O 3.07Å; D20-A31 PolarHBondContact O-N 3.38Å; A31-I41 HydrophobicContact CB-CD1 3.57Å; A31-F65 HydrophobicContact CB-CD2 4.37Å; A31-F65 HydrophobicContact CB-CE2 3.4Å; A31-F65 VanDerWaalsContact CB-CE2 3.4Å; A31-F65 HydrophobicContact CB-CZ 3.7Å; A31-L73 HydrophobicContact CB-CD1 4.13Å; A31-L73 HydrophobicContact CB-CD2 3.78Å
32	V	95.2	Very high	93.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.1	-178.9	-173.4	0	0	0	0	109.1	L9 I16 T19 L30 I39 R40 Y42 I329	L9-V32 HydrophobicContact CD1-CG1 4.24Å; I16-V32 HydrophobicContact CD1-CG1 4.28Å; I16-V32 HydrophobicContact CG1-CG1 4.34Å; I16-V32 HydrophobicContact CG2-CG1 3.78Å; T19-V32 HydrophobicContact CG2-CB 4.4Å; T19-V32 HydrophobicContact CG2-CG1 4.2Å; T19-V32 HydrophobicContact CG2-CG2 4.18Å; L30-V32 HydrophobicContact CD2-CG2 4.34Å; L30-V32 HydrophobicContact CG-CG2 4.05Å; V32-I39 VanDerWaalsContact O-CA 3.32Å; V32-I39 WeakPolarHBondContact O-CA 3.33Å; V32-R40 HydrophobicContact CB-CB 4.4Å; V32-R40 PolarHBondContact N-O 3.05Å; V32-R40 PolarHBondContact O-N 2.92Å; V32-Y42 HydrophobicContact CG2-CD2 4.04Å; V32-Y42 HydrophobicContact CG2-CE2 4.18Å; V32-I329 HydrophobicContact CB-CD1 4.32Å; V32-I329 HydrophobicContact CG1-CD1 3.92Å; V32-I329 HydrophobicContact CG2-CD1 3.4Å; V32-I329 VanDerWaalsContact CG2-CD1 3.4Å
33	G	95	Very high	93.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.7	176.8	0	0	0	0	0	110.7	S17 C18	S17-G33 PolarHBondContact N-O 3.4Å; S17-G33 PolarHBondContact OG-O 3.12Å; C18-G33 PolarHBondContact N-O 3.35Å; C18-G33 PolarHBondContact O-N 3.44Å
34	T	93.1	Very high	93.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	155.5	179	74.3	0	0	0	0	112.4	L9 D14 G15 N36 G37 R38 I60	L9-T34 HydrophobicContact CD1-CG2 4.45Å; D14-T34 HydrophobicContact CB-CG2 4.18Å; G15-T34 CarbonylContact O-C 3.57Å; G15-T34 VanDerWaalsContact O-CA 3.26Å; G15-T34 WeakPolarHBondContact O-CA 3.17Å; G15-T34 WeakPolarHBondContact O-CB 3.27Å; T34-N36 PolarHBondContact O-N 3.43Å; T34-N36 VanDerWaalsContact O-N 3.1Å; T34-N36 PolarHBondContact OG1-N 3.49Å; T34-G37 PolarHBondContact O-N 3.32Å; T34-R38 HydrophobicContact CG2-CB 4.41Å; T34-R38 PolarHBondContact N-O 3.46Å; T34-R38 WeakPolarHBondContact OG1-CB 3.44Å; T34-R38 PolarHBondContact OG1-N 3.47Å; T34-R38 PolarHBondContact OG1-O 2.87Å; T34-I60 PolarHBondContact O-N 2.98Å
35	C	91.3	Very high	93.5	Very high	46 Å²	46	36.1 Å²	36.1	31%	0.311	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.1	173.3	-57.8	0	0	0	0	112	G15 G37 T59	G15-C35 PolarHBondContact O-N 3.24Å; G15-C35 PolarHBondContact O-SG 2.91Å; C35-G37 VanDerWaalsContact C-N 3.28Å; C35-G37 PolarHBondContact O-N 2.75Å; C35-T59 WeakPolarHBondContact O-CA 3.39Å; C35-T59 WeakPolarHBondContact O-CG2 3.43Å
36	N	91.2	Very high	93.5	Very high	73 Å²	73	36.3 Å²	36.3	39%	0.39	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	12.2	175.3	-78.2	-28.5	0	0	0	114.2	D14 T34 R38 R55 K58	D14-N36 PolarHBondContact OD1-ND2 2.76Å; T34-N36 PolarHBondContact O-N 3.43Å; T34-N36 VanDerWaalsContact O-N 3.1Å; T34-N36 PolarHBondContact OG1-N 3.49Å; N36-R38 VanDerWaalsContact C-N 3.29Å; N36-R38 PolarHBondContact O-N 3.27Å; N36-R55 PolarHBondContact O-NE 3.33Å; N36-R55 PolarHBondContact O-NH2 2.91Å; N36-K58 CarbonylContact C-O 3.6Å; N36-K58 VanDerWaalsContact O-O 3.11Å
37	G	92.6	Very high	93.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	75.4	15.5	171	0	0	0	0	0	115.1	T34 C35 R55 W56 H57 K58 I60	T34-G37 PolarHBondContact O-N 3.32Å; C35-G37 VanDerWaalsContact C-N 3.28Å; C35-G37 PolarHBondContact O-N 2.75Å; G37-R55 WeakPolarHBondContact O-CG 3.14Å; G37-W56 PolarHBondContact O-N 2.91Å; G37-W56 VanDerWaalsContact O-N 3.08Å; G37-H57 WeakPolarHBondContact CA-O 3.33Å; G37-H57 PolarHBondContact O-N 2.79Å; G37-K58 PolarHBondContact N-O 3.26Å; G37-I60 WeakPolarHBondContact O-CD1 3.45Å
38	R	93.6	Very high	92.8	Very high	78 Å²	78	31.5 Å²	31.5	29%	0.294	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	141.5	171.1	-65.3	176.1	173.6	158.8	-5.9	109.8	D14 T34 N36 K54 R55 I60	D14-R38 IonicContact OD2-CZ 3.8Å; D14-R38 IonicContact OD2-NH1 2.82Å; D14-R38 PolarHBondContact OD2-NH1 3.33Å; T34-R38 HydrophobicContact CG2-CB 4.41Å; T34-R38 PolarHBondContact N-O 3.46Å; T34-R38 WeakPolarHBondContact OG1-CB 3.44Å; T34-R38 PolarHBondContact OG1-N 3.47Å; T34-R38 PolarHBondContact OG1-O 2.87Å; N36-R38 VanDerWaalsContact C-N 3.29Å; N36-R38 PolarHBondContact O-N 3.27Å; R38-K54 WeakPolarHBondContact CA-O 3.49Å; R38-R55 HydrophobicContact CG-CB 4.4Å; R38-R55 HydrophobicContact CG-CG 4.46Å; R38-I60 WeakPolarHBondContact O-CD1 2.8Å
39	I	94.7	Very high	92.4	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.7	167.3	-64	-172.6	0	0	0	108.7	V32 I41 Q53 K54 W56 I60 L63 L73	V32-I39 VanDerWaalsContact O-CA 3.32Å; V32-I39 WeakPolarHBondContact O-CA 3.33Å; I39-I41 HydrophobicContact CG2-CD1 3.64Å; I39-I41 HydrophobicContact CG2-CG1 4.25Å; I39-Q53 WeakPolarHBondContact O-CA 3.35Å; I39-K54 PolarHBondContact N-O 2.89Å; I39-K54 PolarHBondContact O-N 3.42Å; I39-K54 VanDerWaalsContact O-N 3.08Å; I39-W56 HydrophobicContact CB-CD2 4.44Å; I39-W56 HydrophobicContact CD1-CB 4.3Å; I39-W56 HydrophobicContact CD1-CD2 3.39Å; I39-W56 HydrophobicContact CD1-CE3 3Å; I39-W56 HydrophobicContact CD1-CG 4.01Å; I39-W56 HydrophobicContact CD1-CH2 3.87Å; I39-W56 HydrophobicContact CD1-CZ2 4.26Å; I39-W56 HydrophobicContact CD1-CZ3 3.26Å; I39-W56 HydrophobicContact CG1-CD2 4.19Å; I39-W56 HydrophobicContact CG1-CE3 4.22Å; I39-W56 HydrophobicContact CG1-CG 4.42Å; I39-W56 HydrophobicContact CG2-CH2 4.43Å; I39-W56 HydrophobicContact CG2-CZ2 4.47Å; I39-I60 HydrophobicContact CD1-CD1 4.09Å; I39-I60 HydrophobicContact CG1-CD1 3.33Å; I39-I60 HydrophobicContact CG1-CG1 4.45Å; I39-L63 HydrophobicContact CD1-CD1 4.49Å; I39-L63 HydrophobicContact CD1-CD2 3.53Å; I39-L63 HydrophobicContact CG1-CD2 4.33Å; I39-L73 HydrophobicContact CD1-CD2 4.37Å; I39-L73 HydrophobicContact CG2-CD2 4.12Å
40	R	93.8	Very high	92.2	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.6	169.6	-63.7	179	174.5	112.2	-8.9	108.7	D14 V32 Y42 A50 L52 Q53	D14-R40 IonicContact OD2-NH1 2.72Å; D14-R40 IonicContact OD2-NH2 3.75Å; V32-R40 HydrophobicContact CB-CB 4.4Å; V32-R40 PolarHBondContact N-O 3.05Å; V32-R40 PolarHBondContact O-N 2.92Å; R40-Y42 HydrophobicContact CB-CD2 4.23Å; R40-Y42 HydrophobicContact CB-CE2 3.53Å; R40-Y42 WeakPolarHBondContact CD-OH 3.31Å; R40-Y42 HydrophobicContact CG-CE2 4.49Å; R40-A50 HydrophobicContact CB-CB 4.39Å; R40-L52 CarbonylContact C-O 3.57Å; R40-L52 VanDerWaalsContact CA-O 3.29Å; R40-L52 WeakPolarHBondContact CA-O 3.42Å; R40-Q53 HydrophobicContact CG-CB 4.38Å; R40-Q53 HydrophobicContact CG-CG 4Å
41	I	95.4	Very high	92	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.3	173.1	-48.8	-60.7	0	0	0	107.2	L29 L30 A31 I39 A50 L51 L52 F65 L73 V87	L29-I41 HydrophobicContact CB-CG2 4.11Å; L29-I41 HydrophobicContact CD1-CG2 4.03Å; L29-I41 HydrophobicContact CD2-CG2 4.43Å; L29-I41 HydrophobicContact CG-CG2 4.43Å; L30-I41 WeakPolarHBondContact O-CA 3.27Å; A31-I41 HydrophobicContact CB-CD1 3.57Å; I39-I41 HydrophobicContact CG2-CD1 3.64Å; I39-I41 HydrophobicContact CG2-CG1 4.25Å; I41-A50 CarbonylContact O-C 3.48Å; I41-A50 WeakPolarHBondContact O-CA 3.28Å; I41-L51 PolarHBondContact O-N 2.84Å; I41-L52 HydrophobicContact CB-CB 4.03Å; I41-L52 HydrophobicContact CG1-CB 3.91Å; I41-L52 HydrophobicContact CG1-CD2 3.98Å; I41-L52 HydrophobicContact CG1-CG 4.33Å; I41-L52 PolarHBondContact N-O 3.12Å; I41-L52 PolarHBondContact O-N 2.95Å; I41-F65 HydrophobicContact CD1-CZ 4.5Å; I41-L73 HydrophobicContact CD1-CD2 3.65Å; I41-V87 HydrophobicContact CD1-CG1 4.14Å; I41-V87 HydrophobicContact CG1-CG1 4.18Å
42	Y	94.4	Very high	91.8	Very high	15 Å²	15	41.8 Å²	41.8	6%	0.059	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.9	176.5	-68.3	-90.4	0	0	0	110.1	L7 L9 L29 L30 V32 R40 A50	L7-Y42 HydrophobicContact CD1-CE1 4.26Å; L7-Y42 HydrophobicContact CD2-CD1 4.04Å; L7-Y42 HydrophobicContact CD2-CD2 3.86Å; L7-Y42 HydrophobicContact CD2-CE1 4.2Å; L7-Y42 HydrophobicContact CD2-CE2 4.03Å; L7-Y42 HydrophobicContact CD2-CG 3.86Å; L9-Y42 HydrophobicContact CD2-CE2 3.96Å; L9-Y42 WeakPolarHBondContact CD2-OH 2.89Å; L29-Y42 WeakPolarHBondContact CA-O 3.48Å; L30-Y42 PolarHBondContact N-O 3.32Å; L30-Y42 PolarHBondContact O-N 3.43Å; V32-Y42 HydrophobicContact CG2-CD2 4.04Å; V32-Y42 HydrophobicContact CG2-CE2 4.18Å; R40-Y42 HydrophobicContact CB-CD2 4.23Å; R40-Y42 HydrophobicContact CB-CE2 3.53Å; R40-Y42 WeakPolarHBondContact CD-OH 3.31Å; R40-Y42 HydrophobicContact CG-CE2 4.49Å; Y42-A50 HydrophobicContact CD1-CB 4.32Å; Y42-A50 HydrophobicContact CE1-CB 3.88Å; Y42-A50 HydrophobicContact CE2-CB 4.41Å
43	D	93.7	Very high	91.7	Very high	14 Å²	14	46.3 Å²	46.3	8%	0.075	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	121.9	156.2	-165.1	-37	0	0	0	106.8	K27 M45 D46 R47 L51	K27-D43 WeakPolarHBondContact CD-OD2 3.48Å; K27-D43 WeakPolarHBondContact CE-OD2 3.28Å; K27-D43 IonicContact NZ-OD2 3.91Å; K27-D43 PolarHBondContact NZ-OD2 3.05Å; D43-M45 PolarHBondContact O-N 3.42Å; D43-M45 PolarHBondContact OD1-N 3.23Å; D43-M45 VanDerWaalsContact OD1-N 3.07Å; D43-D46 HydrophobicContact CB-CB 4.17Å; D43-D46 CarbonylContact O-C 3.06Å; D43-D46 PolarHBondContact O-N 2.86Å; D43-D46 VanDerWaalsContact O-O 3.07Å; D43-R47 PolarHBondContact O-N 2.99Å; D43-L51 HydrophobicContact CB-CD1 4.08Å; D43-L51 HydrophobicContact CB-CG 4.39Å
44	Y	92.1	Very high	91.7	Very high	19 Å²	19	50.1 Å²	50.1	8%	0.075	25%	0.25	C	C	.	.	S	Bend	trans	-62.4	-31.9	-179.5	173.9	-107.5	0	0	0	111.3	F21 I28 R47 H313 I318 F331	F21-Y44 AromaticContact CE1-CD2 3.72Å; F21-Y44 HydrophobicContact CE1-CD2 3.72Å; F21-Y44 HydrophobicContact CE1-CE2 4.34Å; F21-Y44 HydrophobicContact CE1-CG 4.05Å; F21-Y44 HydrophobicContact CZ-CD2 4.12Å; F21-Y44 HydrophobicContact CZ-CE2 4.33Å; I28-Y44 HydrophobicContact CG2-CD1 4.47Å; I28-Y44 HydrophobicContact CG2-CG 4.4Å; I28-Y44 WeakPolarHBondContact O-CB 3.15Å; I28-Y44 PolarHBondContact O-N 3.48Å; Y44-R47 WeakPolarHBondContact O-CG 3.25Å; Y44-R47 PolarHBondContact O-NH1 3.35Å; Y44-H313 AromaticContact CD1-CD2 3.83Å; Y44-H313 AromaticContact CD1-NE2 3.46Å; Y44-H313 WeakPolarHBondContact CD1-NE2 3.44Å; Y44-H313 AromaticContact CE1-CD2 3.71Å; Y44-H313 AromaticContact CE1-NE2 3.46Å; Y44-H313 WeakPolarHBondContact CE1-NE2 3.46Å; Y44-I318 VanDerWaalsContact OH-CD1 3.26Å; Y44-I318 WeakPolarHBondContact OH-CD1 3.45Å; Y44-F331 HydrophobicContact CD2-CE1 4.1Å; Y44-F331 HydrophobicContact CD2-CZ 4.33Å; Y44-F331 AromaticContact CE2-CD1 3.78Å; Y44-F331 HydrophobicContact CE2-CD1 3.78Å; Y44-F331 AromaticContact CE2-CE1 3.78Å; Y44-F331 HydrophobicContact CE2-CE1 3.78Å; Y44-F331 HydrophobicContact CE2-CG 4.17Å; Y44-F331 HydrophobicContact CE2-CZ 4.16Å
45	M	89.8	Confident	91.7	Very high	139 Å²	139	57 Å²	57	69%	0.685	28%	0.276	S	S	*	.	S	Bend	trans	-76.7	-38	177.8	-60.5	-60.8	-86.4	0	0	111.3	D43	D43-M45 PolarHBondContact O-N 3.42Å; D43-M45 PolarHBondContact OD1-N 3.23Å; D43-M45 VanDerWaalsContact OD1-N 3.07Å
46	D	88.8	Confident	91.9	Very high	67 Å²	67	55.4 Å²	55.4	36%	0.358	26%	0.263	S	S	.	.			trans	-111.2	79	176.3	-177.8	15.2	0	0	0	111.7	D43 T48	D43-D46 HydrophobicContact CB-CB 4.17Å; D43-D46 CarbonylContact O-C 3.06Å; D43-D46 PolarHBondContact O-N 2.86Å; D43-D46 VanDerWaalsContact O-O 3.07Å; D46-T48 PolarHBondContact O-N 3.34Å; D46-T48 WeakPolarHBondContact OD1-CB 3.26Å; D46-T48 VanDerWaalsContact OD1-CG2 3.25Å; D46-T48 WeakPolarHBondContact OD1-CG2 3.41Å; D46-T48 PolarHBondContact OD1-N 3Å; D46-T48 PolarHBondContact OD1-OG1 3.44Å
47	R	85.9	Confident	92	Very high	58 Å²	58	52.8 Å²	52.8	22%	0.219	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	9.6	-179.3	-57.7	-177.7	-67	-77.5	1.5	113.8	S4 L7 D43 Y44	S4-R47 PolarHBondContact O-NH2 3.47Å; L7-R47 HydrophobicContact CD1-CB 4.07Å; L7-R47 WeakPolarHBondContact CD1-O 3.12Å; L7-R47 HydrophobicContact CD2-CB 4.49Å; D43-R47 PolarHBondContact O-N 2.99Å; Y44-R47 WeakPolarHBondContact O-CG 3.25Å; Y44-R47 PolarHBondContact O-NH1 3.35Å
48	T	83.7	Confident	92	Very high	113 Å²	113	58.9 Å²	58.9	69%	0.693	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-34.9	-173.1	62.6	0	0	0	0	113	D46	D46-T48 PolarHBondContact O-N 3.34Å; D46-T48 WeakPolarHBondContact OD1-CB 3.26Å; D46-T48 VanDerWaalsContact OD1-CG2 3.25Å; D46-T48 WeakPolarHBondContact OD1-CG2 3.41Å; D46-T48 PolarHBondContact OD1-N 3Å; D46-T48 PolarHBondContact OD1-OG1 3.44Å
49	K	88	Confident	92	Very high	138 Å²	138	57.2 Å²	57.2	60%	0.6	27%	0.274	S	S	*	.	S	Bend	trans	-142.1	148.6	-179.8	65	-178.7	179.5	-178.7	0	111	L51	K49-L51 PolarHBondContact O-N 2.79Å
50	A	90.7	Very high	92	Very high	29 Å²	29	57.4 Å²	57.4	24%	0.24	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.5	169.3	0	0	0	0	0	109.2	R40 I41 Y42 L52 Q53	R40-A50 HydrophobicContact CB-CB 4.39Å; I41-A50 CarbonylContact O-C 3.48Å; I41-A50 WeakPolarHBondContact O-CA 3.28Å; Y42-A50 HydrophobicContact CD1-CB 4.32Å; Y42-A50 HydrophobicContact CE1-CB 3.88Å; Y42-A50 HydrophobicContact CE2-CB 4.41Å; A50-L52 VanDerWaalsContact C-N 3.32Å; A50-Q53 HydrophobicContact CB-CB 4.44Å
51	L	92.7	Very high	92	Very high	73 Å²	73	62.3 Å²	62.3	38%	0.382	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-39.6	170.1	-62	179.4	0	0	0	110.6	L29 I41 D43 K49	L29-L51 HydrophobicContact CD2-CD1 3.71Å; I41-L51 PolarHBondContact O-N 2.84Å; D43-L51 HydrophobicContact CB-CD1 4.08Å; D43-L51 HydrophobicContact CB-CG 4.39Å; K49-L51 PolarHBondContact O-N 2.79Å
52	L	92.8	Very high	92.1	Very high	10 Å²	10	62.6 Å²	62.6	5%	0.052	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.3	178.7	176.1	63.5	0	0	0	109.2	R40 I41 A50 K54 W56 E90	R40-L52 CarbonylContact C-O 3.57Å; R40-L52 VanDerWaalsContact CA-O 3.29Å; R40-L52 WeakPolarHBondContact CA-O 3.42Å; I41-L52 HydrophobicContact CB-CB 4.03Å; I41-L52 HydrophobicContact CG1-CB 3.91Å; I41-L52 HydrophobicContact CG1-CD2 3.98Å; I41-L52 HydrophobicContact CG1-CG 4.33Å; I41-L52 PolarHBondContact N-O 3.12Å; I41-L52 PolarHBondContact O-N 2.95Å; A50-L52 VanDerWaalsContact C-N 3.32Å; L52-K54 HydrophobicContact CD1-CD 3.82Å; L52-K54 HydrophobicContact CD1-CG 3.81Å; L52-W56 HydrophobicContact CD2-CZ2 4.14Å; L52-E90 HydrophobicContact CD1-CB 4.34Å; L52-E90 HydrophobicContact CD1-CG 3.93Å
53	Q	92.6	Very high	92.2	Very high	94 Å²	94	62.6 Å²	62.6	44%	0.439	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	109.8	170.6	179.9	171	-55.2	0	0	109.8	I39 R40 A50	I39-Q53 WeakPolarHBondContact O-CA 3.35Å; R40-Q53 HydrophobicContact CG-CB 4.38Å; R40-Q53 HydrophobicContact CG-CG 4Å; A50-Q53 HydrophobicContact CB-CB 4.44Å
54	K	94.3	Very high	92.4	Very high	80 Å²	80	63 Å²	63	35%	0.348	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156	179.4	-72.2	-173.5	-175.1	170.4	0	111	R38 I39 L52 E90	R38-K54 WeakPolarHBondContact CA-O 3.49Å; I39-K54 PolarHBondContact N-O 2.89Å; I39-K54 PolarHBondContact O-N 3.42Å; I39-K54 VanDerWaalsContact O-N 3.08Å; L52-K54 HydrophobicContact CD1-CD 3.82Å; L52-K54 HydrophobicContact CD1-CG 3.81Å; K54-E90 VanDerWaalsContact CE-OE2 3.28Å; K54-E90 WeakPolarHBondContact CE-OE2 3.25Å; K54-E90 PolarHBondContact NZ-O 2.82Å; K54-E90 IonicContact NZ-OE2 3.46Å; K54-E90 PolarHBondContact NZ-OE2 2.98Å
55	R	93.9	Very high	92.6	Very high	144 Å²	144	62.5 Å²	62.5	54%	0.543	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	108.4	170.2	-169.7	175.1	-169.9	143.5	4.6	109.1	N36 G37 R38 H57 K58	N36-R55 PolarHBondContact O-NE 3.33Å; N36-R55 PolarHBondContact O-NH2 2.91Å; G37-R55 WeakPolarHBondContact O-CG 3.14Å; R38-R55 HydrophobicContact CG-CB 4.4Å; R38-R55 HydrophobicContact CG-CG 4.46Å; R55-H57 VanDerWaalsContact CG-O 3.26Å; R55-H57 WeakPolarHBondContact CG-O 3.34Å; R55-H57 PolarHBondContact NE-O 3.23Å; R55-H57 VanDerWaalsContact NE-O 3.08Å; R55-K58 PolarHBondContact NH2-O 3.12Å
56	W	94.3	Very high	92.9	Very high	13 Å²	13	56.2 Å²	56.2	5%	0.049	27%	0.268	C	S	.	.			trans	-93.4	-30.9	-179.3	-69.3	3.6	0	0	0	112.2	G37 I39 L52 L73 K83 H85	G37-W56 PolarHBondContact O-N 2.91Å; G37-W56 VanDerWaalsContact O-N 3.08Å; I39-W56 HydrophobicContact CB-CD2 4.44Å; I39-W56 HydrophobicContact CD1-CB 4.3Å; I39-W56 HydrophobicContact CD1-CD2 3.39Å; I39-W56 HydrophobicContact CD1-CE3 3Å; I39-W56 HydrophobicContact CD1-CG 4.01Å; I39-W56 HydrophobicContact CD1-CH2 3.87Å; I39-W56 HydrophobicContact CD1-CZ2 4.26Å; I39-W56 HydrophobicContact CD1-CZ3 3.26Å; I39-W56 HydrophobicContact CG1-CD2 4.19Å; I39-W56 HydrophobicContact CG1-CE3 4.22Å; I39-W56 HydrophobicContact CG1-CG 4.42Å; I39-W56 HydrophobicContact CG2-CH2 4.43Å; I39-W56 HydrophobicContact CG2-CZ2 4.47Å; L52-W56 HydrophobicContact CD2-CZ2 4.14Å; W56-L73 HydrophobicContact CH2-CB 4.25Å; W56-L73 HydrophobicContact CH2-CD2 3.77Å; W56-L73 HydrophobicContact CH2-CG 4.24Å; W56-L73 HydrophobicContact CZ3-CB 4.36Å; W56-L73 HydrophobicContact CZ3-CD2 3.93Å; W56-L73 HydrophobicContact CZ3-CG 4.09Å; W56-K83 WeakPolarHBondContact O-CE 2.98Å; W56-K83 PolarHBondContact O-NZ 3.27Å; W56-H85 AromaticContact CD1-NE2 3.95Å; W56-H85 AromaticContact CD2-CE1 3.29Å; W56-H85 AromaticContact CD2-CG 3.9Å; W56-H85 AromaticContact CD2-ND1 3.39Å; W56-H85 AromaticContact CD2-NE2 3.76Å; W56-H85 AromaticContact CE2-CD2 3.73Å; W56-H85 AromaticContact CE2-CE1 3.75Å; W56-H85 AromaticContact CE2-CG 3.67Å; W56-H85 AromaticContact CE2-ND1 3.69Å; W56-H85 AromaticContact CE2-NE2 3.8Å; W56-H85 HydrophobicContact CE3-CB 4.46Å; W56-H85 AromaticContact CE3-CE1 3.38Å; W56-H85 AromaticContact CE3-CG 3.83Å; W56-H85 AromaticContact CE3-ND1 3.07Å; W56-H85 AromaticContact CG-CE1 3.69Å; W56-H85 AromaticContact CG-NE2 3.98Å; W56-H85 HydrophobicContact CH2-CB 3.39Å; W56-H85 AromaticContact CH2-CG 3.59Å; W56-H85 AromaticContact CH2-ND1 3.68Å; W56-H85 HydrophobicContact CZ2-CB 3.61Å; W56-H85 AromaticContact CZ2-CD2 3.92Å; W56-H85 AromaticContact CZ2-CG 3.54Å; W56-H85 AromaticContact CZ2-ND1 3.85Å; W56-H85 HydrophobicContact CZ3-CB 3.83Å; W56-H85 AromaticContact CZ3-CG 3.7Å; W56-H85 AromaticContact CZ3-ND1 3.26Å; W56-H85 VanDerWaalsContact CZ3-ND1 3.26Å; W56-H85 WeakPolarHBondContact CZ3-ND1 3.2Å; W56-H85 AromaticContact NE1-CD2 3.94Å; W56-H85 AromaticContact NE1-NE2 3.82Å
57	H	94.4	Very high	93	Very high	18 Å²	18	57 Å²	57	8%	0.083	28%	0.277	C	S	.	.	S	Bend	trans	-137	176.2	-178.4	-64.5	-77.9	0	0	0	111.3	G37 R55 T59 I60 S75 G81	G37-H57 WeakPolarHBondContact CA-O 3.33Å; G37-H57 PolarHBondContact O-N 2.79Å; R55-H57 VanDerWaalsContact CG-O 3.26Å; R55-H57 WeakPolarHBondContact CG-O 3.34Å; R55-H57 PolarHBondContact NE-O 3.23Å; R55-H57 VanDerWaalsContact NE-O 3.08Å; H57-T59 WeakPolarHBondContact CB-O 3.29Å; H57-I60 HydrophobicContact CB-CG1 4.26Å; H57-S75 PolarHBondContact NE2-O 2.87Å; H57-S75 PolarHBondContact NE2-OG 2.83Å; H57-G81 PolarHBondContact CE1-O 3.34Å
58	K	92.5	Very high	93.1	Very high	128 Å²	128	61.8 Å²	61.8	56%	0.557	30%	0.299	S	S	*	.	S	Bend	trans	-71.3	-38.1	166.3	-66	-166.4	-164.9	149.7	0	111.2	N36 G37 R55 Q79	N36-K58 CarbonylContact C-O 3.6Å; N36-K58 VanDerWaalsContact O-O 3.11Å; G37-K58 PolarHBondContact N-O 3.26Å; R55-K58 PolarHBondContact NH2-O 3.12Å; K58-Q79 VanDerWaalsContact CD-OE1 3.26Å; K58-Q79 VanDerWaalsContact NZ-OE1 3.15Å
59	T	92.7	Very high	93.5	Very high	43 Å²	43	59.6 Å²	59.6	26%	0.264	29%	0.286	S	S	.	.	S	Bend	trans	-141.7	146.8	178.6	53.7	0	0	0	0	108.4	C35 H57 S77 S78	C35-T59 WeakPolarHBondContact O-CA 3.39Å; C35-T59 WeakPolarHBondContact O-CG2 3.43Å; H57-T59 WeakPolarHBondContact CB-O 3.29Å; T59-S77 WeakPolarHBondContact O-CA 3.47Å; T59-S77 VanDerWaalsContact O-CB 3.24Å; T59-S77 WeakPolarHBondContact O-CB 2.8Å; T59-S77 PolarHBondContact O-OG 2.89Å; T59-S77 VanDerWaalsContact O-OG 3.13Å; T59-S77 PolarHBondContact OG1-OG 3.18Å; T59-S78 PolarHBondContact OG1-OG 3.01Å
60	I	95.2	Very high	93.6	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	27%	0.274	C	S	.	.			trans	-114.3	137.5	170.2	-68.6	149.2	0	0	0	107.5	S17 C18 T34 G37 R38 I39 H57 L63 A76	S17-I60 VanDerWaalsContact CB-O 3.3Å; S17-I60 WeakPolarHBondContact CB-O 3.32Å; S17-I60 PolarHBondContact OG-O 2.8Å; C18-I60 VanDerWaalsContact SG-CG2 3.58Å; T34-I60 PolarHBondContact O-N 2.98Å; G37-I60 WeakPolarHBondContact O-CD1 3.45Å; R38-I60 WeakPolarHBondContact O-CD1 2.8Å; I39-I60 HydrophobicContact CD1-CD1 4.09Å; I39-I60 HydrophobicContact CG1-CD1 3.33Å; I39-I60 HydrophobicContact CG1-CG1 4.45Å; H57-I60 HydrophobicContact CB-CG1 4.26Å; I60-L63 HydrophobicContact CG2-CD1 4.28Å; I60-L63 HydrophobicContact CG2-CD2 4.11Å; I60-L63 HydrophobicContact CG2-CG 3.81Å; I60-A76 WeakPolarHBondContact CA-O 3.3Å
61	R	94.6	Very high	93.8	Very high	104 Å²	104	57 Å²	57	39%	0.392	27%	0.272	S	S	.	.			trans	-117.9	-35.7	177	-172.3	152.6	-179	162.7	-5.3	112.2	A76 I105 E121	R61-A76 PolarHBondContact N-O 2.98Å; R61-I105 WeakPolarHBondContact CD-O 2.9Å; R61-E121 IonicContact CZ-OE1 3.47Å; R61-E121 IonicContact NH1-OE1 3.9Å; R61-E121 PolarHBondContact NH1-OE1 2.88Å; R61-E121 IonicContact NH2-OE1 2.93Å
62	C	96.3	Very high	94	Very high	10 Å²	10	55.2 Å²	55.2	7%	0.068	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.3	178.9	-38.1	0	0	0	0	110.7	S75 A76 S106 I108	C62-S75 WeakPolarHBondContact O-CA 3.43Å; C62-A76 HydrophobicContact CB-CB 4.02Å; C62-A76 PolarHBondContact N-O 2.64Å; C62-A76 PolarHBondContact O-N 2.81Å; C62-S106 VanDerWaalsContact SG-C 3.56Å; C62-S106 PolarHBondContact SG-O 3.07Å; C62-I108 HydrophobicContact CB-CB 4.02Å; C62-I108 HydrophobicContact CB-CG2 3.47Å; C62-I108 VanDerWaalsContact CB-CG2 3.47Å
63	L	96.7	Very high	94.2	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.073	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.2	169.8	-74.3	176.6	0	0	0	109	C18 I39 I60 L73 I74 S75	C18-L63 VanDerWaalsContact SG-CG 3.56Å; I39-L63 HydrophobicContact CD1-CD1 4.49Å; I39-L63 HydrophobicContact CD1-CD2 3.53Å; I39-L63 HydrophobicContact CG1-CD2 4.33Å; I60-L63 HydrophobicContact CG2-CD1 4.28Å; I60-L63 HydrophobicContact CG2-CD2 4.11Å; I60-L63 HydrophobicContact CG2-CG 3.81Å; L63-L73 HydrophobicContact CB-CD1 4.4Å; L63-L73 HydrophobicContact CD2-CD1 4.31Å; L63-L73 HydrophobicContact CD2-CD2 4.29Å; L63-L73 HydrophobicContact CD2-CG 4.29Å; L63-I74 WeakPolarHBondContact CA-O 3.31Å; L63-S75 VanDerWaalsContact CD2-CB 3.44Å
64	S	97.3	Very high	94.4	Very high	24 Å²	24	50.2 Å²	50.2	17%	0.168	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	131.5	173	-177.6	0	0	0	0	110.8	D20 I74 V110	D20-S64 VanDerWaalsContact OD2-CA 3.29Å; D20-S64 WeakPolarHBondContact OD2-CA 3.32Å; S64-I74 PolarHBondContact N-O 2.84Å; S64-I74 VanDerWaalsContact N-O 3.1Å; S64-I74 WeakPolarHBondContact O-CG2 3.38Å; S64-I74 PolarHBondContact O-N 3.33Å; S64-V110 WeakPolarHBondContact OG-CG2 3.2Å
65	F	97.3	Very high	94.6	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	153.2	169.1	-78.3	-78.6	0	0	0	111	D20 A22 L29 A31 I41 P67 Q70 L72 L73 V87	D20-F65 HydrophobicContact CB-CD2 4.07Å; D20-F65 PolarHBondContact OD2-N 2.98Å; A22-F65 HydrophobicContact CB-CB 3.73Å; A22-F65 HydrophobicContact CB-CD1 3.74Å; A22-F65 HydrophobicContact CB-CD2 3.47Å; A22-F65 VanDerWaalsContact CB-CD2 3.47Å; A22-F65 HydrophobicContact CB-CE1 4.13Å; A22-F65 HydrophobicContact CB-CE2 3.87Å; A22-F65 HydrophobicContact CB-CG 3.38Å; A22-F65 HydrophobicContact CB-CZ 4.18Å; L29-F65 HydrophobicContact CB-CZ 4.36Å; A31-F65 HydrophobicContact CB-CD2 4.37Å; A31-F65 HydrophobicContact CB-CE2 3.4Å; A31-F65 VanDerWaalsContact CB-CE2 3.4Å; A31-F65 HydrophobicContact CB-CZ 3.7Å; I41-F65 HydrophobicContact CD1-CZ 4.5Å; F65-P67 WeakPolarHBondContact O-CD 3.42Å; F65-Q70 WeakPolarHBondContact CD1-O 3.27Å; F65-L72 WeakPolarHBondContact CA-O 3.07Å; F65-L72 WeakPolarHBondContact CD1-O 3.44Å; F65-L73 HydrophobicContact CD1-CB 4.03Å; F65-L73 HydrophobicContact CD1-CD1 4.03Å; F65-L73 HydrophobicContact CD2-CD1 4.03Å; F65-L73 HydrophobicContact CE1-CB 3.94Å; F65-L73 HydrophobicContact CE1-CD1 4.15Å; F65-L73 HydrophobicContact CE1-CG 4.44Å; F65-L73 HydrophobicContact CE2-CD1 4.16Å; F65-L73 HydrophobicContact CG-CD1 3.98Å; F65-L73 HydrophobicContact CZ-CD1 4.21Å; F65-L73 HydrophobicContact CZ-CD2 4.44Å; F65-V87 HydrophobicContact CE1-CG1 4.17Å; F65-V87 HydrophobicContact CE1-CG2 4.18Å
66	F	95.6	Very high	94.7	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.9	173.6	-74	-109.8	0	0	0	110.1	K68 T69 Q70 L72 I74 V84 V110 W116	F66-K68 VanDerWaalsContact C-N 3.29Å; F66-K68 PolarHBondContact O-N 2.85Å; F66-K68 VanDerWaalsContact O-N 3.13Å; F66-T69 WeakPolarHBondContact CB-O 3.46Å; F66-T69 CarbonylContact O-C 3.51Å; F66-T69 PolarHBondContact O-N 2.84Å; F66-T69 VanDerWaalsContact O-N 3.13Å; F66-Q70 VanDerWaalsContact O-CA 3.29Å; F66-Q70 WeakPolarHBondContact O-CA 3.34Å; F66-Q70 PolarHBondContact O-N 3.46Å; F66-L72 HydrophobicContact CB-CB 4.17Å; F66-L72 HydrophobicContact CD2-CB 3.46Å; F66-L72 VanDerWaalsContact CD2-CB 3.46Å; F66-L72 WeakPolarHBondContact CD2-O 3.47Å; F66-L72 HydrophobicContact CE2-CB 4.01Å; F66-L72 HydrophobicContact CG-CB 3.94Å; F66-L72 PolarHBondContact N-O 2.8Å; F66-I74 HydrophobicContact CE2-CB 3.82Å; F66-I74 HydrophobicContact CE2-CG2 4.13Å; F66-I74 HydrophobicContact CZ-CB 4.34Å; F66-I74 HydrophobicContact CZ-CD1 4.48Å; F66-V84 HydrophobicContact CE2-CG1 3.74Å; F66-V84 HydrophobicContact CE2-CG2 4.32Å; F66-V84 HydrophobicContact CZ-CG1 4.15Å; F66-V84 HydrophobicContact CZ-CG2 4.19Å; F66-V110 HydrophobicContact CB-CG1 4.21Å; F66-V110 HydrophobicContact CD1-CG1 3.36Å; F66-V110 HydrophobicContact CD2-CG1 4.39Å; F66-V110 HydrophobicContact CE1-CG1 3.73Å; F66-V110 HydrophobicContact CG-CG1 3.74Å; F66-V110 HydrophobicContact CZ-CG1 4.4Å; F66-W116 AromaticContact CE1-CE3 3.67Å; F66-W116 HydrophobicContact CE1-CE3 3.67Å; F66-W116 HydrophobicContact CE1-CZ3 4Å; F66-W116 HydrophobicContact CZ-CD2 4.38Å; F66-W116 AromaticContact CZ-CE3 3.58Å; F66-W116 HydrophobicContact CZ-CE3 3.58Å; F66-W116 AromaticContact CZ-CZ3 3.78Å; F66-W116 HydrophobicContact CZ-CZ3 3.78Å
67	P	90.6	Very high	94.7	Very high	84 Å²	84	39 Å²	39	55%	0.545	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-34.4	-171.7	-28	35.7	0	0	0	115	F65 Q70	F65-P67 WeakPolarHBondContact O-CD 3.42Å; P67-Q70 VanDerWaalsContact O-CG 3.3Å; P67-Q70 WeakPolarHBondContact O-CG 2.96Å
68	K	89.2	Confident	94.6	Very high	158 Å²	158	40.3 Å²	40.3	69%	0.687	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-21.1	179.6	-62.5	-67.4	-174.6	-179.3	0	113.9	F66 E112	F66-K68 VanDerWaalsContact C-N 3.29Å; F66-K68 PolarHBondContact O-N 2.85Å; F66-K68 VanDerWaalsContact O-N 3.13Å; K68-E112 WeakPolarHBondContact CE-OE1 3.46Å; K68-E112 IonicContact NZ-OE1 3.28Å
69	T	91.4	Very high	94.7	Very high	68 Å²	68	39.1 Å²	39.1	42%	0.417	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	68.8	-177.6	-49.9	0	0	0	0	107.4	F66 N71 L72	F66-T69 WeakPolarHBondContact CB-O 3.46Å; F66-T69 CarbonylContact O-C 3.51Å; F66-T69 PolarHBondContact O-N 2.84Å; F66-T69 VanDerWaalsContact O-N 3.13Å; T69-N71 VanDerWaalsContact CG2-OD1 3.25Å; T69-N71 WeakPolarHBondContact CG2-OD1 3.42Å; T69-N71 PolarHBondContact O-N 2.84Å; T69-L72 HydrophobicContact CG2-CD1 3.75Å; T69-L72 HydrophobicContact CG2-CG 3.85Å; T69-L72 WeakPolarHBondContact O-CB 3.41Å; T69-L72 PolarHBondContact O-N 3.37Å
70	Q	90.8	Very high	94.7	Very high	74 Å²	74	37.2 Å²	37.2	35%	0.346	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-11.8	-161.9	-67.1	173.7	-58.3	0	0	114.3	A22 N23 V24 F65 F66 P67 L72	A22-Q70 HydrophobicContact CB-CB 4.23Å; N23-Q70 WeakPolarHBondContact O-CB 3.33Å; N23-Q70 PolarHBondContact O-OE1 2.76Å; V24-Q70 HydrophobicContact CG2-CB 4.04Å; V24-Q70 WeakPolarHBondContact CG2-O 3.2Å; F65-Q70 WeakPolarHBondContact CD1-O 3.27Å; F66-Q70 VanDerWaalsContact O-CA 3.29Å; F66-Q70 WeakPolarHBondContact O-CA 3.34Å; F66-Q70 PolarHBondContact O-N 3.46Å; P67-Q70 VanDerWaalsContact O-CG 3.3Å; P67-Q70 WeakPolarHBondContact O-CG 2.96Å; Q70-L72 VanDerWaalsContact C-N 3.33Å
71	N	94	Very high	94.7	Very high	39 Å²	39	37.1 Å²	37.1	21%	0.209	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-12.4	170.6	66.5	-57	0	0	0	113.7	V24 T69 D86 V87 I88	V24-N71 HydrophobicContact CG1-CB 4.06Å; T69-N71 VanDerWaalsContact CG2-OD1 3.25Å; T69-N71 WeakPolarHBondContact CG2-OD1 3.42Å; T69-N71 PolarHBondContact O-N 2.84Å; N71-D86 PolarHBondContact ND2-OD1 3.47Å; N71-D86 CarbonylContact O-C 3.53Å; N71-D86 WeakPolarHBondContact O-CA 3.32Å; N71-V87 HydrophobicContact CB-CG2 4.47Å; N71-V87 VanDerWaalsContact O-CG2 3.24Å; N71-V87 WeakPolarHBondContact O-CG2 3.36Å; N71-V87 PolarHBondContact O-N 3.16Å; N71-I88 HydrophobicContact CB-CD1 3.53Å; N71-I88 HydrophobicContact CB-CG1 3.81Å
72	L	96.5	Very high	94.8	Very high	34 Å²	34	32.2 Å²	32.2	18%	0.178	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.5	174.5	-63	179.6	0	0	0	110.2	F65 F66 T69 Q70 V84 H85 D86 T93	F65-L72 WeakPolarHBondContact CA-O 3.07Å; F65-L72 WeakPolarHBondContact CD1-O 3.44Å; F66-L72 HydrophobicContact CB-CB 4.17Å; F66-L72 HydrophobicContact CD2-CB 3.46Å; F66-L72 VanDerWaalsContact CD2-CB 3.46Å; F66-L72 WeakPolarHBondContact CD2-O 3.47Å; F66-L72 HydrophobicContact CE2-CB 4.01Å; F66-L72 HydrophobicContact CG-CB 3.94Å; F66-L72 PolarHBondContact N-O 2.8Å; T69-L72 HydrophobicContact CG2-CD1 3.75Å; T69-L72 HydrophobicContact CG2-CG 3.85Å; T69-L72 WeakPolarHBondContact O-CB 3.41Å; T69-L72 PolarHBondContact O-N 3.37Å; Q70-L72 VanDerWaalsContact C-N 3.33Å; L72-V84 HydrophobicContact CB-CG1 4.24Å; L72-V84 HydrophobicContact CD2-CG1 4.38Å; L72-H85 WeakPolarHBondContact CA-O 2.89Å; L72-D86 HydrophobicContact CD2-CB 3.85Å; L72-T93 HydrophobicContact CD2-CG2 4.16Å
73	L	97.4	Very high	94.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125	175.7	179.6	62.9	0	0	0	109.2	A31 I39 I41 W56 L63 F65 V84 H85 V87	A31-L73 HydrophobicContact CB-CD1 4.13Å; A31-L73 HydrophobicContact CB-CD2 3.78Å; I39-L73 HydrophobicContact CD1-CD2 4.37Å; I39-L73 HydrophobicContact CG2-CD2 4.12Å; I41-L73 HydrophobicContact CD1-CD2 3.65Å; W56-L73 HydrophobicContact CH2-CB 4.25Å; W56-L73 HydrophobicContact CH2-CD2 3.77Å; W56-L73 HydrophobicContact CH2-CG 4.24Å; W56-L73 HydrophobicContact CZ3-CB 4.36Å; W56-L73 HydrophobicContact CZ3-CD2 3.93Å; W56-L73 HydrophobicContact CZ3-CG 4.09Å; L63-L73 HydrophobicContact CB-CD1 4.4Å; L63-L73 HydrophobicContact CD2-CD1 4.31Å; L63-L73 HydrophobicContact CD2-CD2 4.29Å; L63-L73 HydrophobicContact CD2-CG 4.29Å; F65-L73 HydrophobicContact CD1-CB 4.03Å; F65-L73 HydrophobicContact CD1-CD1 4.03Å; F65-L73 HydrophobicContact CD2-CD1 4.03Å; F65-L73 HydrophobicContact CE1-CB 3.94Å; F65-L73 HydrophobicContact CE1-CD1 4.15Å; F65-L73 HydrophobicContact CE1-CG 4.44Å; F65-L73 HydrophobicContact CE2-CD1 4.16Å; F65-L73 HydrophobicContact CG-CD1 3.98Å; F65-L73 HydrophobicContact CZ-CD1 4.21Å; F65-L73 HydrophobicContact CZ-CD2 4.44Å; L73-V84 WeakPolarHBondContact O-CA 3.11Å; L73-H85 PolarHBondContact N-O 2.68Å; L73-H85 PolarHBondContact O-N 3.04Å; L73-V87 HydrophobicContact CB-CG1 3.85Å; L73-V87 HydrophobicContact CD2-CG1 4.21Å
74	I	97.8	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	143.5	171	-167.9	158.2	0	0	0	110.7	L63 S64 F66 L82 K83 V84 I108 V110 W116	L63-I74 WeakPolarHBondContact CA-O 3.31Å; S64-I74 PolarHBondContact N-O 2.84Å; S64-I74 VanDerWaalsContact N-O 3.1Å; S64-I74 WeakPolarHBondContact O-CG2 3.38Å; S64-I74 PolarHBondContact O-N 3.33Å; F66-I74 HydrophobicContact CE2-CB 3.82Å; F66-I74 HydrophobicContact CE2-CG2 4.13Å; F66-I74 HydrophobicContact CZ-CB 4.34Å; F66-I74 HydrophobicContact CZ-CD1 4.48Å; I74-L82 HydrophobicContact CD1-CD1 3.9Å; I74-L82 HydrophobicContact CD1-CD2 4.22Å; I74-L82 HydrophobicContact CD1-CG 4.04Å; I74-L82 HydrophobicContact CG1-CD1 3.86Å; I74-L82 HydrophobicContact CG1-CG 4.28Å; I74-K83 CarbonylContact C-O 3.54Å; I74-K83 WeakPolarHBondContact CA-O 3.46Å; I74-V84 HydrophobicContact CB-CG2 4.17Å; I74-V84 HydrophobicContact CD1-CG2 3.77Å; I74-V84 HydrophobicContact CG1-CG2 3.9Å; I74-I108 HydrophobicContact CB-CD1 4.09Å; I74-I108 HydrophobicContact CD1-CD1 3.58Å; I74-I108 HydrophobicContact CG1-CD1 3.47Å; I74-I108 VanDerWaalsContact CG1-CD1 3.47Å; I74-I108 HydrophobicContact CG2-CD1 3.53Å; I74-I108 HydrophobicContact CG2-CG1 4.31Å; I74-V110 HydrophobicContact CG2-CG2 3.57Å; I74-W116 HydrophobicContact CD1-CD2 3.55Å; I74-W116 VanDerWaalsContact CD1-CE2 3.41Å; I74-W116 HydrophobicContact CD1-CE3 4.27Å; I74-W116 HydrophobicContact CD1-CG 3.64Å; I74-W116 HydrophobicContact CD1-CZ2 4.04Å
75	S	97.7	Very high	94.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.1	-178.6	61.5	0	0	0	0	111.2	H57 C62 L63 L82 K83	H57-S75 PolarHBondContact NE2-O 2.87Å; H57-S75 PolarHBondContact NE2-OG 2.83Å; C62-S75 WeakPolarHBondContact O-CA 3.43Å; L63-S75 VanDerWaalsContact CD2-CB 3.44Å; S75-L82 WeakPolarHBondContact O-CA 3.32Å; S75-K83 PolarHBondContact N-O 2.94Å; S75-K83 PolarHBondContact O-N 3.21Å; S75-K83 PolarHBondContact OG-O 3.46Å; S75-K83 VanDerWaalsContact OG-O 3.13Å
76	A	97.2	Very high	94.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150	177.8	0	0	0	0	0	111.8	I60 R61 C62 G81 L82 I105	I60-A76 WeakPolarHBondContact CA-O 3.3Å; R61-A76 PolarHBondContact N-O 2.98Å; C62-A76 HydrophobicContact CB-CB 4.02Å; C62-A76 PolarHBondContact N-O 2.64Å; C62-A76 PolarHBondContact O-N 2.81Å; A76-G81 WeakPolarHBondContact CA-O 3.41Å; A76-L82 HydrophobicContact CB-CD1 3.94Å; A76-I105 HydrophobicContact CB-CB 4.03Å; A76-I105 HydrophobicContact CB-CD1 4.13Å; A76-I105 HydrophobicContact CB-CG2 3.63Å
77	S	94.5	Very high	94.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	18%	0.176	C	C	.	.			trans	-122.6	154.9	-177.1	172.3	0	0	0	0	111.1	T59 Q79 S80 G81	T59-S77 WeakPolarHBondContact O-CA 3.47Å; T59-S77 VanDerWaalsContact O-CB 3.24Å; T59-S77 WeakPolarHBondContact O-CB 2.8Å; T59-S77 PolarHBondContact O-OG 2.89Å; T59-S77 VanDerWaalsContact O-OG 3.13Å; T59-S77 PolarHBondContact OG1-OG 3.18Å; S77-Q79 PolarHBondContact O-N 3.01Å; S77-Q79 PolarHBondContact OG-N 3.2Å; S77-Q79 VanDerWaalsContact OG-N 3.12Å; S77-S80 PolarHBondContact O-N 3.23Å; S77-S80 VanDerWaalsContact O-N 3.17Å; S77-G81 PolarHBondContact N-O 3.18Å
78	S	91.9	Very high	94.9	Very high	45 Å²	45	35 Å²	35	32%	0.315	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.7	169.6	64.6	0	0	0	0	113.3	T59 S80 P104	T59-S78 PolarHBondContact OG1-OG 3.01Å; S78-S80 PolarHBondContact O-N 3.31Å; S78-P104 WeakPolarHBondContact O-CA 3.13Å; S78-P104 VanDerWaalsContact O-CB 3.25Å; S78-P104 WeakPolarHBondContact O-CB 3.49Å; S78-P104 WeakPolarHBondContact O-CG 3.5Å
79	Q	93.2	Very high	95.1	Very high	103 Å²	103	30 Å²	30	48%	0.481	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	27.2	173.2	-54.2	-158.6	-41.4	0	0	112.9	K58 S77 G81	K58-Q79 VanDerWaalsContact CD-OE1 3.26Å; K58-Q79 VanDerWaalsContact NZ-OE1 3.15Å; S77-Q79 PolarHBondContact O-N 3.01Å; S77-Q79 PolarHBondContact OG-N 3.2Å; S77-Q79 VanDerWaalsContact OG-N 3.12Å; Q79-G81 PolarHBondContact O-N 2.99Å
80	S	93.4	Very high	95.2	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	16%	0.163	C	C	.	.	S	Bend	trans	59.1	15.4	-179.8	-38	0	0	0	0	115	S77 S78 A99 S103	S77-S80 PolarHBondContact O-N 3.23Å; S77-S80 VanDerWaalsContact O-N 3.17Å; S78-S80 PolarHBondContact O-N 3.31Å; S80-A99 WeakPolarHBondContact O-CB 3.5Å; S80-A99 PolarHBondContact O-N 3.28Å; S80-S103 WeakPolarHBondContact CB-O 3.49Å; S80-S103 VanDerWaalsContact OG-C 3.29Å; S80-S103 PolarHBondContact OG-N 3.2Å; S80-S103 PolarHBondContact OG-O 2.89Å
81	G	95.1	Very high	95.4	Very high	5 Å²	5	34.2 Å²	34.2	5%	0.052	18%	0.177	C	C	.	.			trans	-84.3	131.3	179.5	0	0	0	0	0	111.2	H57 A76 S77 Q79	H57-G81 PolarHBondContact CE1-O 3.34Å; A76-G81 WeakPolarHBondContact CA-O 3.41Å; S77-G81 PolarHBondContact N-O 3.18Å; Q79-G81 PolarHBondContact O-N 2.99Å
82	L	96.8	Very high	95.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.1	178.9	-166.6	68	0	0	0	109.9	I74 S75 A76 W94 A95 C96 A99 I105 I108 W116 T118 W128	I74-L82 HydrophobicContact CD1-CD1 3.9Å; I74-L82 HydrophobicContact CD1-CD2 4.22Å; I74-L82 HydrophobicContact CD1-CG 4.04Å; I74-L82 HydrophobicContact CG1-CD1 3.86Å; I74-L82 HydrophobicContact CG1-CG 4.28Å; S75-L82 WeakPolarHBondContact O-CA 3.32Å; A76-L82 HydrophobicContact CB-CD1 3.94Å; L82-W94 HydrophobicContact CB-CZ3 3.95Å; L82-W94 HydrophobicContact CD2-CH2 3.99Å; L82-W94 HydrophobicContact CD2-CZ3 3.75Å; L82-W94 HydrophobicContact CG-CZ3 3.85Å; L82-A95 CarbonylContact O-C 3.56Å; L82-A95 WeakPolarHBondContact O-CA 3.49Å; L82-C96 PolarHBondContact N-O 3.43Å; L82-C96 PolarHBondContact O-N 3.39Å; L82-A99 HydrophobicContact CB-CB 4.14Å; L82-I105 HydrophobicContact CB-CD1 4.38Å; L82-I105 HydrophobicContact CD1-CD1 4.38Å; L82-I108 HydrophobicContact CD1-CD1 3.71Å; L82-W116 HydrophobicContact CD2-CZ2 4.46Å; L82-T118 HydrophobicContact CD1-CG2 4.12Å; L82-T118 HydrophobicContact CD2-CG2 3.9Å; L82-W128 HydrophobicContact CD2-CD2 4.32Å; L82-W128 HydrophobicContact CD2-CG 4.42Å
83	K	96.6	Very high	95.4	Very high	32 Å²	32	38.9 Å²	38.9	14%	0.139	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.5	-179.6	-62.8	-179.7	179.6	-171	0	111.5	W56 I74 S75 A95	W56-K83 WeakPolarHBondContact O-CE 2.98Å; W56-K83 PolarHBondContact O-NZ 3.27Å; I74-K83 CarbonylContact C-O 3.54Å; I74-K83 WeakPolarHBondContact CA-O 3.46Å; S75-K83 PolarHBondContact N-O 2.94Å; S75-K83 PolarHBondContact O-N 3.21Å; S75-K83 PolarHBondContact OG-O 3.46Å; S75-K83 VanDerWaalsContact OG-O 3.13Å; K83-A95 HydrophobicContact CG-CB 4Å
84	V	97.2	Very high	95.3	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.024	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.3	170.1	-172.3	0	0	0	0	108.7	F66 L72 L73 I74 T93 W94 W116	F66-V84 HydrophobicContact CE2-CG1 3.74Å; F66-V84 HydrophobicContact CE2-CG2 4.32Å; F66-V84 HydrophobicContact CZ-CG1 4.15Å; F66-V84 HydrophobicContact CZ-CG2 4.19Å; L72-V84 HydrophobicContact CB-CG1 4.24Å; L72-V84 HydrophobicContact CD2-CG1 4.38Å; L73-V84 WeakPolarHBondContact O-CA 3.11Å; I74-V84 HydrophobicContact CB-CG2 4.17Å; I74-V84 HydrophobicContact CD1-CG2 3.77Å; I74-V84 HydrophobicContact CG1-CG2 3.9Å; V84-T93 WeakPolarHBondContact CG1-OG1 3.18Å; V84-T93 PolarHBondContact O-N 3.41Å; V84-T93 PolarHBondContact O-OG1 2.69Å; V84-W94 HydrophobicContact CB-CB 3.99Å; V84-W94 HydrophobicContact CG2-CB 4.11Å; V84-W94 HydrophobicContact CG2-CE3 4.2Å; V84-W94 PolarHBondContact N-O 3.08Å; V84-W94 PolarHBondContact O-N 2.92Å; V84-W116 HydrophobicContact CG2-CH2 3.91Å; V84-W116 HydrophobicContact CG2-CZ2 4.19Å; V84-W116 HydrophobicContact CG2-CZ3 4.3Å
85	H	97	Very high	95.3	Very high	13 Å²	13	41.4 Å²	41.4	6%	0.06	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.9	173.4	-61.7	71.1	0	0	0	110.2	W56 L72 L73 K91 Q92	W56-H85 AromaticContact CD1-NE2 3.95Å; W56-H85 AromaticContact CD2-CE1 3.29Å; W56-H85 AromaticContact CD2-CG 3.9Å; W56-H85 AromaticContact CD2-ND1 3.39Å; W56-H85 AromaticContact CD2-NE2 3.76Å; W56-H85 AromaticContact CE2-CD2 3.73Å; W56-H85 AromaticContact CE2-CE1 3.75Å; W56-H85 AromaticContact CE2-CG 3.67Å; W56-H85 AromaticContact CE2-ND1 3.69Å; W56-H85 AromaticContact CE2-NE2 3.8Å; W56-H85 HydrophobicContact CE3-CB 4.46Å; W56-H85 AromaticContact CE3-CE1 3.38Å; W56-H85 AromaticContact CE3-CG 3.83Å; W56-H85 AromaticContact CE3-ND1 3.07Å; W56-H85 AromaticContact CG-CE1 3.69Å; W56-H85 AromaticContact CG-NE2 3.98Å; W56-H85 HydrophobicContact CH2-CB 3.39Å; W56-H85 AromaticContact CH2-CG 3.59Å; W56-H85 AromaticContact CH2-ND1 3.68Å; W56-H85 HydrophobicContact CZ2-CB 3.61Å; W56-H85 AromaticContact CZ2-CD2 3.92Å; W56-H85 AromaticContact CZ2-CG 3.54Å; W56-H85 AromaticContact CZ2-ND1 3.85Å; W56-H85 HydrophobicContact CZ3-CB 3.83Å; W56-H85 AromaticContact CZ3-CG 3.7Å; W56-H85 AromaticContact CZ3-ND1 3.26Å; W56-H85 VanDerWaalsContact CZ3-ND1 3.26Å; W56-H85 WeakPolarHBondContact CZ3-ND1 3.2Å; W56-H85 AromaticContact NE1-CD2 3.94Å; W56-H85 AromaticContact NE1-NE2 3.82Å; L72-H85 WeakPolarHBondContact CA-O 2.89Å; L73-H85 PolarHBondContact N-O 2.68Å; L73-H85 PolarHBondContact O-N 3.04Å; H85-K91 CarbonylContact C-O 3.51Å; H85-K91 VanDerWaalsContact CA-O 3.26Å; H85-K91 WeakPolarHBondContact CA-O 3.4Å; H85-Q92 VanDerWaalsContact CD2-CA 3.43Å; H85-Q92 WeakPolarHBondContact CD2-CA 3.42Å
86	D	95.9	Very high	95.2	Very high	26 Å²	26	42.6 Å²	42.6	14%	0.139	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.9	162.1	175.7	3.4	0	0	0	108.4	N71 L72 I88 S89 E90 K91 T93	N71-D86 PolarHBondContact ND2-OD1 3.47Å; N71-D86 CarbonylContact O-C 3.53Å; N71-D86 WeakPolarHBondContact O-CA 3.32Å; L72-D86 HydrophobicContact CD2-CB 3.85Å; D86-I88 VanDerWaalsContact C-N 3.29Å; D86-I88 PolarHBondContact O-N 2.91Å; D86-I88 PolarHBondContact OD1-N 2.54Å; D86-S89 VanDerWaalsContact CB-OG 3.32Å; D86-S89 WeakPolarHBondContact CB-OG 3.19Å; D86-S89 PolarHBondContact OD1-N 3.17Å; D86-S89 VanDerWaalsContact OD2-CB 3.31Å; D86-S89 WeakPolarHBondContact OD2-CB 3.36Å; D86-S89 PolarHBondContact OD2-OG 3.3Å; D86-E90 CarbonylContact O-C 3.58Å; D86-E90 WeakPolarHBondContact O-CA 3.47Å; D86-E90 PolarHBondContact O-N 3.15Å; D86-K91 PolarHBondContact N-O 2.9Å; D86-K91 PolarHBondContact O-N 2.66Å; D86-T93 HydrophobicContact CB-CG2 4.04Å
87	V	95.3	Very high	95	Very high	14 Å²	14	49.1 Å²	49.1	9%	0.085	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-21.2	-177.4	-63.4	0	0	0	0	112.9	L29 I41 F65 N71 L73	L29-V87 HydrophobicContact CD1-CG2 3.91Å; I41-V87 HydrophobicContact CD1-CG1 4.14Å; I41-V87 HydrophobicContact CG1-CG1 4.18Å; F65-V87 HydrophobicContact CE1-CG1 4.17Å; F65-V87 HydrophobicContact CE1-CG2 4.18Å; N71-V87 HydrophobicContact CB-CG2 4.47Å; N71-V87 VanDerWaalsContact O-CG2 3.24Å; N71-V87 WeakPolarHBondContact O-CG2 3.36Å; N71-V87 PolarHBondContact O-N 3.16Å; L73-V87 HydrophobicContact CB-CG1 3.85Å; L73-V87 HydrophobicContact CD2-CG1 4.21Å
88	I	93.5	Very high	94.9	Very high	116 Å²	116	55.9 Å²	55.9	60%	0.595	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-51.5	178.4	-60.2	173.3	0	0	0	109.9	V24 N71 D86 E90	V24-I88 HydrophobicContact CG1-CD1 3.61Å; V24-I88 HydrophobicContact CG1-CG1 3.94Å; N71-I88 HydrophobicContact CB-CD1 3.53Å; N71-I88 HydrophobicContact CB-CG1 3.81Å; D86-I88 VanDerWaalsContact C-N 3.29Å; D86-I88 PolarHBondContact O-N 2.91Å; D86-I88 PolarHBondContact OD1-N 2.54Å; I88-E90 PolarHBondContact O-N 2.98Å
89	S	94.1	Very high	95	Very high	53 Å²	53	53.8 Å²	53.8	37%	0.371	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.4	178.3	68.6	0	0	0	0	113.3	D86 K91	D86-S89 VanDerWaalsContact CB-OG 3.32Å; D86-S89 WeakPolarHBondContact CB-OG 3.19Å; D86-S89 PolarHBondContact OD1-N 3.17Å; D86-S89 VanDerWaalsContact OD2-CB 3.31Å; D86-S89 WeakPolarHBondContact OD2-CB 3.36Å; D86-S89 PolarHBondContact OD2-OG 3.3Å; S89-K91 PolarHBondContact O-N 2.86Å
90	E	93.2	Very high	95.1	Very high	85 Å²	85	49 Å²	49	40%	0.397	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	25	-175.1	-49.2	-173.6	-179.2	0	0	115.2	L52 K54 D86 I88	L52-E90 HydrophobicContact CD1-CB 4.34Å; L52-E90 HydrophobicContact CD1-CG 3.93Å; K54-E90 VanDerWaalsContact CE-OE2 3.28Å; K54-E90 WeakPolarHBondContact CE-OE2 3.25Å; K54-E90 PolarHBondContact NZ-O 2.82Å; K54-E90 IonicContact NZ-OE2 3.46Å; K54-E90 PolarHBondContact NZ-OE2 2.98Å; D86-E90 CarbonylContact O-C 3.58Å; D86-E90 WeakPolarHBondContact O-CA 3.47Å; D86-E90 PolarHBondContact O-N 3.15Å; I88-E90 PolarHBondContact O-N 2.98Å
91	K	95.4	Very high	95	Very high	146 Å²	146	54.4 Å²	54.4	64%	0.635	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	141.7	-177.5	-72.1	177.1	-176	179.8	0	111.1	H85 D86 S89 T93	H85-K91 CarbonylContact C-O 3.51Å; H85-K91 VanDerWaalsContact CA-O 3.26Å; H85-K91 WeakPolarHBondContact CA-O 3.4Å; D86-K91 PolarHBondContact N-O 2.9Å; D86-K91 PolarHBondContact O-N 2.66Å; S89-K91 PolarHBondContact O-N 2.86Å; K91-T93 PolarHBondContact O-N 2.77Å
92	Q	95.6	Very high	94.8	Very high	93 Å²	93	63.6 Å²	63.6	44%	0.435	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	117.4	166.9	-169	-173	-85.7	0	0	108.6	H85 A95	H85-Q92 VanDerWaalsContact CD2-CA 3.43Å; H85-Q92 WeakPolarHBondContact CD2-CA 3.42Å; Q92-A95 HydrophobicContact CG-CB 4.44Å; Q92-A95 VanDerWaalsContact NE2-CB 3.31Å
93	T	94.8	Very high	94.6	Very high	77 Å²	77	63.9 Å²	63.9	47%	0.472	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-29.2	-179.9	54.1	0	0	0	0	111.8	L72 V84 D86 K91	L72-T93 HydrophobicContact CD2-CG2 4.16Å; V84-T93 WeakPolarHBondContact CG1-OG1 3.18Å; V84-T93 PolarHBondContact O-N 3.41Å; V84-T93 PolarHBondContact O-OG1 2.69Å; D86-T93 HydrophobicContact CB-CG2 4.04Å; K91-T93 PolarHBondContact O-N 2.77Å
94	W	96.1	Very high	94.5	Very high	22 Å²	22	63.8 Å²	63.8	8%	0.083	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	148.3	-179.7	-172.3	99.5	0	0	0	111.3	L82 V84 C96 W116 W128 K132	L82-W94 HydrophobicContact CB-CZ3 3.95Å; L82-W94 HydrophobicContact CD2-CH2 3.99Å; L82-W94 HydrophobicContact CD2-CZ3 3.75Å; L82-W94 HydrophobicContact CG-CZ3 3.85Å; V84-W94 HydrophobicContact CB-CB 3.99Å; V84-W94 HydrophobicContact CG2-CB 4.11Å; V84-W94 HydrophobicContact CG2-CE3 4.2Å; V84-W94 PolarHBondContact N-O 3.08Å; V84-W94 PolarHBondContact O-N 2.92Å; W94-C96 HydrophobicContact CH2-CB 3.22Å; W94-C96 HydrophobicContact CZ2-CB 3.93Å; W94-C96 HydrophobicContact CZ3-CB 3.68Å; W94-W116 AromaticContact CD2-CH2 3.98Å; W94-W116 HydrophobicContact CD2-CH2 3.98Å; W94-W116 AromaticContact CD2-CZ2 3.88Å; W94-W116 HydrophobicContact CD2-CZ2 3.88Å; W94-W116 AromaticContact CE2-CZ2 4Å; W94-W116 HydrophobicContact CE3-CH2 4.24Å; W94-W116 AromaticContact CE3-CZ2 3.79Å; W94-W116 HydrophobicContact CE3-CZ2 3.79Å; W94-W116 HydrophobicContact CG-CH2 4.23Å; W94-W116 AromaticContact CH2-CZ2 3.95Å; W94-W116 HydrophobicContact CH2-CZ2 3.95Å; W94-W116 HydrophobicContact CZ2-CZ2 4.05Å; W94-W116 AromaticContact CZ3-CZ2 3.84Å; W94-W116 HydrophobicContact CZ3-CZ2 3.84Å; W94-W128 HydrophobicContact CH2-CD2 4.43Å; W94-W128 AromaticContact CH2-CE3 3.78Å; W94-W128 HydrophobicContact CH2-CE3 3.78Å; W94-W128 HydrophobicContact CH2-CZ3 4.13Å; W94-W128 AromaticContact CZ2-CE3 3.91Å; W94-W128 HydrophobicContact CZ2-CE3 3.91Å; W94-W128 HydrophobicContact CZ2-CZ3 4.37Å; W94-K132 PolarHBondContact NE1-O 3.37Å
95	A	95.8	Very high	94.5	Very high	31 Å²	31	63.6 Å²	63.6	26%	0.256	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	146.4	171.6	0	0	0	0	0	113.1	L82 K83 Q92 F97	L82-A95 CarbonylContact O-C 3.56Å; L82-A95 WeakPolarHBondContact O-CA 3.49Å; K83-A95 HydrophobicContact CG-CB 4Å; Q92-A95 HydrophobicContact CG-CB 4.44Å; Q92-A95 VanDerWaalsContact NE2-CB 3.31Å; A95-F97 HydrophobicContact CB-CZ 4.39Å
96	C	96	Very high	94.4	Very high	25 Å²	25	63.5 Å²	63.5	17%	0.169	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	118.1	165.9	-177.2	0	0	0	0	108.6	L82 W94 A99 W128	L82-C96 PolarHBondContact N-O 3.43Å; L82-C96 PolarHBondContact O-N 3.39Å; W94-C96 HydrophobicContact CH2-CB 3.22Å; W94-C96 HydrophobicContact CZ2-CB 3.93Å; W94-C96 HydrophobicContact CZ3-CB 3.68Å; C96-A99 HydrophobicContact CB-CB 4.5Å; C96-W128 HydrophobicContact CB-CZ3 4.46Å
97	F	93.6	Very high	94.5	Very high	138 Å²	138	62.6 Å²	62.6	61%	0.605	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-15.9	-172.3	-61.5	-76.1	0	0	0	114.3	A95	A95-F97 HydrophobicContact CB-CZ 4.39Å
98	Q	92.7	Very high	94.6	Very high	143 Å²	143	63.1 Å²	63.1	67%	0.668	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	58.4	-179.5	-70.3	-175.7	-39.7	0	0	109.8	H100 E101	Q98-H100 VanDerWaalsContact C-N 3.26Å; Q98-H100 PolarHBondContact O-N 3.31Å; Q98-E101 PolarHBondContact O-N 2.78Å
99	A	94.1	Very high	94.7	Very high	2 Å²	2	58.9 Å²	58.9	2%	0.017	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-36.2	-174.6	0	0	0	0	0	112.5	S80 L82 C96 I105 K126 W128	S80-A99 WeakPolarHBondContact O-CB 3.5Å; S80-A99 PolarHBondContact O-N 3.28Å; L82-A99 HydrophobicContact CB-CB 4.14Å; C96-A99 HydrophobicContact CB-CB 4.5Å; A99-I105 HydrophobicContact CB-CD1 4.12Å; A99-K126 VanDerWaalsContact O-CD 3.27Å; A99-K126 WeakPolarHBondContact O-CD 3.29Å; A99-K126 PolarHBondContact O-NZ 2.95Å; A99-W128 HydrophobicContact CB-CH2 3.61Å; A99-W128 HydrophobicContact CB-CZ2 3.56Å; A99-W128 WeakPolarHBondContact O-CH2 3.44Å; A99-W128 WeakPolarHBondContact O-CZ2 3.34Å
100	H	94	Very high	94.8	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	39.4	176.2	-70	-95	0	0	0	112.3	Q98 K102 S103 T118 D120 I124 K126	Q98-H100 VanDerWaalsContact C-N 3.26Å; Q98-H100 PolarHBondContact O-N 3.31Å; H100-K102 PolarHBondContact O-N 2.93Å; H100-S103 WeakPolarHBondContact O-CB 3.22Å; H100-S103 PolarHBondContact O-N 3.49Å; H100-T118 PolarHBondContact NE2-OG1 2.77Å; H100-D120 HydrophobicContact CB-CB 4.22Å; H100-D120 IonicContact CG-OD2 3.75Å; H100-D120 IonicContact ND1-OD2 3.53Å; H100-D120 PolarHBondContact ND1-OD2 2.75Å; H100-I124 PolarHBondContact CE1-O 3.4Å; H100-K126 VanDerWaalsContact CE1-CG 3.44Å; H100-K126 WeakPolarHBondContact CE1-CG 3.1Å
101	E	91.8	Very high	94.8	Very high	117 Å²	117	53.1 Å²	53.1	55%	0.547	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	-93.8	-177.3	-53.6	98.2	-137.9	0	0	113.7	Q98 K126	Q98-E101 PolarHBondContact O-N 2.78Å; E101-K126 IonicContact OE1-NZ 2.7Å; E101-K126 PolarHBondContact OE1-NZ 2.86Å
102	K	91.2	Very high	94.6	Very high	198 Å²	198	49.2 Å²	49.2	86%	0.861	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-8.6	179.9	-64.2	-177.4	-179.6	177.5	0	113.7	H100	H100-K102 PolarHBondContact O-N 2.93Å
103	S	93.3	Very high	94.2	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.042	26%	0.255	C	S	.	.	S	Bend	trans	-84.2	125	-174.1	-173.4	0	0	0	0	111.2	S80 H100 D120 N122	S80-S103 WeakPolarHBondContact CB-O 3.49Å; S80-S103 VanDerWaalsContact OG-C 3.29Å; S80-S103 PolarHBondContact OG-N 3.2Å; S80-S103 PolarHBondContact OG-O 2.89Å; H100-S103 WeakPolarHBondContact O-CB 3.22Å; H100-S103 PolarHBondContact O-N 3.49Å; S103-D120 WeakPolarHBondContact CB-OD2 3.37Å; S103-D120 WeakPolarHBondContact OG-CB 3.22Å; S103-D120 PolarHBondContact OG-OD2 2.92Å; S103-N122 VanDerWaalsContact CB-ND2 3.33Å; S103-N122 WeakPolarHBondContact CB-ND2 3.39Å; S103-N122 PolarHBondContact OG-ND2 2.69Å
104	P	94.9	Very high	94.1	Very high	30 Å²	30	49 Å²	49	20%	0.195	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-60.9	139.1	178.5	-26.1	38	0	0	0	112.4	S78 S106 D120 E121	S78-P104 WeakPolarHBondContact O-CA 3.13Å; S78-P104 VanDerWaalsContact O-CB 3.25Å; S78-P104 WeakPolarHBondContact O-CB 3.49Å; S78-P104 WeakPolarHBondContact O-CG 3.5Å; P104-S106 PolarHBondContact O-N 3.41Å; P104-D120 VanDerWaalsContact O-CA 3.27Å; P104-D120 WeakPolarHBondContact O-CA 3.38Å; P104-D120 WeakPolarHBondContact O-CB 3.44Å; P104-E121 HydrophobicContact CB-CG 4.07Å; P104-E121 VanDerWaalsContact CG-OE2 3.22Å; P104-E121 WeakPolarHBondContact CG-OE2 3.46Å; P104-E121 PolarHBondContact O-N 2.87Å; P104-E121 VanDerWaalsContact O-N 3.07Å
105	I	96.6	Very high	94	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.6	173.1	-62.2	165.8	0	0	0	108.1	R61 A76 L82 A99 T118	R61-I105 WeakPolarHBondContact CD-O 2.9Å; A76-I105 HydrophobicContact CB-CB 4.03Å; A76-I105 HydrophobicContact CB-CD1 4.13Å; A76-I105 HydrophobicContact CB-CG2 3.63Å; L82-I105 HydrophobicContact CB-CD1 4.38Å; L82-I105 HydrophobicContact CD1-CD1 4.38Å; A99-I105 HydrophobicContact CB-CD1 4.12Å; I105-T118 HydrophobicContact CG2-CG2 4.48Å
106	S	95.5	Very high	94	Very high	11 Å²	11	47.7 Å²	47.7	8%	0.077	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-30.3	-178.8	52.3	0	0	0	0	112.6	C62 P104 G119 D120 I154	C62-S106 VanDerWaalsContact SG-C 3.56Å; C62-S106 PolarHBondContact SG-O 3.07Å; P104-S106 PolarHBondContact O-N 3.41Å; S106-G119 PolarHBondContact N-O 3.05Å; S106-G119 PolarHBondContact OG-O 3.3Å; S106-D120 PolarHBondContact OG-O 3.22Å; S106-I154 WeakPolarHBondContact CB-O 3.42Å; S106-I154 PolarHBondContact OG-O 3.38Å
107	S	96.6	Very high	94	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.3	-176.1	56.5	0	0	0	0	113.3	T118 G119 I154	S107-T118 WeakPolarHBondContact O-CA 3.46Å; S107-G119 PolarHBondContact N-O 3.38Å; S107-G119 PolarHBondContact O-N 3.42Å; S107-I154 WeakPolarHBondContact CB-O 3.42Å; S107-I154 WeakPolarHBondContact OG-CG2 3.45Å; S107-I154 PolarHBondContact OG-O 3.37Å
108	I	97.4	Very high	94.2	Very high	25 Å²	25	40 Å²	40	13%	0.128	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.4	176.6	-161.7	162.3	0	0	0	110.6	C62 I74 L82 V117 T118	C62-I108 HydrophobicContact CB-CB 4.02Å; C62-I108 HydrophobicContact CB-CG2 3.47Å; C62-I108 VanDerWaalsContact CB-CG2 3.47Å; I74-I108 HydrophobicContact CB-CD1 4.09Å; I74-I108 HydrophobicContact CD1-CD1 3.58Å; I74-I108 HydrophobicContact CG1-CD1 3.47Å; I74-I108 VanDerWaalsContact CG1-CD1 3.47Å; I74-I108 HydrophobicContact CG2-CD1 3.53Å; I74-I108 HydrophobicContact CG2-CG1 4.31Å; L82-I108 HydrophobicContact CD1-CD1 3.71Å; I108-V117 WeakPolarHBondContact CA-O 3.33Å; I108-T118 HydrophobicContact CD1-CG2 4.33Å; I108-T118 HydrophobicContact CG1-CG2 4.19Å
109	L	96.6	Very high	94.4	Very high	27 Å²	27	33.1 Å²	33.1	14%	0.141	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	117.7	174.8	-178.6	65.9	0	0	0	109.4	L111 W116 V117 M157 I159 L168	L109-L111 HydrophobicContact CD2-CD2 4.39Å; L109-L111 HydrophobicContact CG-CD2 4.42Å; L109-W116 CarbonylContact O-C 3.09Å; L109-W116 WeakPolarHBondContact O-CA 3.36Å; L109-W116 WeakPolarHBondContact O-CB 3.32Å; L109-V117 PolarHBondContact N-O 2.65Å; L109-V117 PolarHBondContact O-N 3.25Å; L109-M157 HydrophobicContact CB-CB 4.14Å; L109-M157 HydrophobicContact CB-CE 4.03Å; L109-M157 HydrophobicContact CD2-CB 4.07Å; L109-I159 HydrophobicContact CD1-CG1 4.49Å; L109-I159 HydrophobicContact CD2-CB 4.32Å; L109-I159 HydrophobicContact CD2-CG1 4.11Å; L109-I159 HydrophobicContact CD2-CG2 3.62Å; L109-L168 HydrophobicContact CD2-CD1 3.48Å; L109-L168 VanDerWaalsContact CD2-CD1 3.48Å
110	V	95.9	Very high	94.5	Very high	10 Å²	10	33.1 Å²	33.1	6%	0.061	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.4	176.3	-177.9	0	0	0	0	109.5	S64 F66 I74 W116	S64-V110 WeakPolarHBondContact OG-CG2 3.2Å; F66-V110 HydrophobicContact CB-CG1 4.21Å; F66-V110 HydrophobicContact CD1-CG1 3.36Å; F66-V110 HydrophobicContact CD2-CG1 4.39Å; F66-V110 HydrophobicContact CE1-CG1 3.73Å; F66-V110 HydrophobicContact CG-CG1 3.74Å; F66-V110 HydrophobicContact CZ-CG1 4.4Å; I74-V110 HydrophobicContact CG2-CG2 3.57Å; V110-W116 HydrophobicContact CG2-CB 4.46Å
111	L	93.9	Very high	94.5	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.031	18%	0.178	C	C	.	.			trans	-97.4	-167.9	174.2	-51.8	-178.6	0	0	0	109.6	L109 Q115 V117 M127 I159 I182	L109-L111 HydrophobicContact CD2-CD2 4.39Å; L109-L111 HydrophobicContact CG-CD2 4.42Å; L111-Q115 CarbonylContact C-O 3.58Å; L111-Q115 WeakPolarHBondContact CA-O 3.46Å; L111-Q115 HydrophobicContact CB-CB 4.17Å; L111-Q115 WeakPolarHBondContact CB-O 3.15Å; L111-Q115 HydrophobicContact CD1-CB 4.32Å; L111-Q115 PolarHBondContact N-O 2.82Å; L111-V117 HydrophobicContact CD1-CG2 3.72Å; L111-V117 HydrophobicContact CD2-CG2 4.35Å; L111-V117 HydrophobicContact CG-CG2 4.11Å; L111-M127 HydrophobicContact CD1-CE 4.21Å; L111-I159 HydrophobicContact CD2-CD1 4.04Å; L111-I159 HydrophobicContact CD2-CG2 4.24Å; L111-I182 HydrophobicContact CD1-CD1 4.18Å; L111-I182 HydrophobicContact CD1-CG2 4.04Å; L111-I182 HydrophobicContact CD2-CD1 3.91Å
112	E	89.5	Confident	94.5	Very high	64 Å²	64	34.6 Å²	34.6	30%	0.299	18%	0.175	S	C	.	.	S	Bend	trans	-84	171.8	173.3	-67.7	-172.4	133.2	0	0	112.8	K68 G114 Q115 S164	K68-E112 WeakPolarHBondContact CE-OE1 3.46Å; K68-E112 IonicContact NZ-OE1 3.28Å; E112-G114 PolarHBondContact O-N 2.85Å; E112-G114 VanDerWaalsContact O-N 3.09Å; E112-Q115 WeakPolarHBondContact O-CB 3.36Å; E112-Q115 PolarHBondContact O-N 2.84Å; E112-S164 PolarHBondContact OE2-OG 2.88Å
113	H	89	Confident	94.6	Very high	142 Å²	142	25.2 Å²	25.2	66%	0.657	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	31.4	172	-53.2	-62.3	0	0	0	115.5	Q115 H165	H113-Q115 VanDerWaalsContact C-N 3.31Å; H113-H165 AromaticContact CD2-NE2 3.96Å
114	G	91	Very high	94.6	Very high	24 Å²	24	26.9 Å²	26.9	25%	0.247	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	24.6	179.4	0	0	0	0	0	113.4	E112 W116 A130	E112-G114 PolarHBondContact O-N 2.85Å; E112-G114 VanDerWaalsContact O-N 3.09Å; G114-W116 WeakPolarHBondContact O-CZ3 2.86Å; G114-A130 WeakPolarHBondContact O-CB 3.08Å; G114-A130 PolarHBondContact O-N 3.31Å
115	Q	94.4	Very high	94.6	Very high	25 Å²	25	25.5 Å²	25.5	12%	0.117	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	154.4	173.2	-62.5	-174.1	-24.4	0	0	110.7	L111 E112 H113 M127 W128 D129 H165	L111-Q115 CarbonylContact C-O 3.58Å; L111-Q115 WeakPolarHBondContact CA-O 3.46Å; L111-Q115 HydrophobicContact CB-CB 4.17Å; L111-Q115 WeakPolarHBondContact CB-O 3.15Å; L111-Q115 HydrophobicContact CD1-CB 4.32Å; L111-Q115 PolarHBondContact N-O 2.82Å; E112-Q115 WeakPolarHBondContact O-CB 3.36Å; E112-Q115 PolarHBondContact O-N 2.84Å; H113-Q115 VanDerWaalsContact C-N 3.31Å; Q115-M127 HydrophobicContact CB-CE 4.33Å; Q115-M127 HydrophobicContact CG-CE 4.43Å; Q115-W128 VanDerWaalsContact CA-O 3.25Å; Q115-W128 WeakPolarHBondContact CA-O 3.39Å; Q115-W128 WeakPolarHBondContact CB-O 3.44Å; Q115-D129 HydrophobicContact CG-CB 4.07Å; Q115-D129 PolarHBondContact NE2-OD2 2.9Å; Q115-H165 PolarHBondContact OE1-CE1 3.39Å
116	W	96	Very high	94.6	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164.5	175.3	59.4	89.9	0	0	0	110.1	F66 I74 L82 V84 W94 L109 V110 G114 W128 A130	F66-W116 AromaticContact CE1-CE3 3.67Å; F66-W116 HydrophobicContact CE1-CE3 3.67Å; F66-W116 HydrophobicContact CE1-CZ3 4Å; F66-W116 HydrophobicContact CZ-CD2 4.38Å; F66-W116 AromaticContact CZ-CE3 3.58Å; F66-W116 HydrophobicContact CZ-CE3 3.58Å; F66-W116 AromaticContact CZ-CZ3 3.78Å; F66-W116 HydrophobicContact CZ-CZ3 3.78Å; I74-W116 HydrophobicContact CD1-CD2 3.55Å; I74-W116 VanDerWaalsContact CD1-CE2 3.41Å; I74-W116 HydrophobicContact CD1-CE3 4.27Å; I74-W116 HydrophobicContact CD1-CG 3.64Å; I74-W116 HydrophobicContact CD1-CZ2 4.04Å; L82-W116 HydrophobicContact CD2-CZ2 4.46Å; V84-W116 HydrophobicContact CG2-CH2 3.91Å; V84-W116 HydrophobicContact CG2-CZ2 4.19Å; V84-W116 HydrophobicContact CG2-CZ3 4.3Å; W94-W116 AromaticContact CD2-CH2 3.98Å; W94-W116 HydrophobicContact CD2-CH2 3.98Å; W94-W116 AromaticContact CD2-CZ2 3.88Å; W94-W116 HydrophobicContact CD2-CZ2 3.88Å; W94-W116 AromaticContact CE2-CZ2 4Å; W94-W116 HydrophobicContact CE3-CH2 4.24Å; W94-W116 AromaticContact CE3-CZ2 3.79Å; W94-W116 HydrophobicContact CE3-CZ2 3.79Å; W94-W116 HydrophobicContact CG-CH2 4.23Å; W94-W116 AromaticContact CH2-CZ2 3.95Å; W94-W116 HydrophobicContact CH2-CZ2 3.95Å; W94-W116 HydrophobicContact CZ2-CZ2 4.05Å; W94-W116 AromaticContact CZ3-CZ2 3.84Å; W94-W116 HydrophobicContact CZ3-CZ2 3.84Å; L109-W116 CarbonylContact O-C 3.09Å; L109-W116 WeakPolarHBondContact O-CA 3.36Å; L109-W116 WeakPolarHBondContact O-CB 3.32Å; V110-W116 HydrophobicContact CG2-CB 4.46Å; G114-W116 WeakPolarHBondContact O-CZ3 2.86Å; W116-W128 AromaticContact CD1-CD1 3.44Å; W116-W128 VanDerWaalsContact CD1-CD1 3.44Å; W116-W128 AromaticContact CD1-CG 3.73Å; W116-W128 HydrophobicContact CD2-CB 3.86Å; W116-W128 AromaticContact CE2-CG 3.91Å; W116-W128 HydrophobicContact CG-CB 4.06Å; W116-W128 HydrophobicContact CZ2-CB 3.75Å; W116-W128 HydrophobicContact CZ2-CG 4.46Å; W116-W128 PolarHBondContact N-O 2.85Å; W116-W128 VanDerWaalsContact N-O 3.17Å; W116-W128 AromaticContact NE1-CD1 3.36Å; W116-W128 AromaticContact NE1-CG 3.23Å; W116-W128 PolarHBondContact O-N 3.37Å; W116-A130 HydrophobicContact CH2-CB 4.15Å; W116-A130 HydrophobicContact CZ3-CB 3.86Å
117	V	96.9	Very high	94.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.4	179.7	-179.3	0	0	0	0	108.4	I108 L109 L111 I125 K126 M127 M157 L168	I108-V117 WeakPolarHBondContact CA-O 3.33Å; L109-V117 PolarHBondContact N-O 2.65Å; L109-V117 PolarHBondContact O-N 3.25Å; L111-V117 HydrophobicContact CD1-CG2 3.72Å; L111-V117 HydrophobicContact CD2-CG2 4.35Å; L111-V117 HydrophobicContact CG-CG2 4.11Å; V117-I125 HydrophobicContact CG1-CG2 3.07Å; V117-K126 WeakPolarHBondContact CA-O 3.41Å; V117-M127 HydrophobicContact CG2-CB 4.47Å; V117-M127 HydrophobicContact CG2-CG 4.3Å; V117-M157 HydrophobicContact CB-CE 4.5Å; V117-M157 HydrophobicContact CG1-CE 4.14Å; V117-M157 HydrophobicContact CG1-SD 3.85Å; V117-L168 HydrophobicContact CG1-CD2 4.02Å
118	T	97.7	Very high	94.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	134	177.5	53.5	0	0	0	0	109	L82 H100 I105 S107 I108 I125 K126 W128	L82-T118 HydrophobicContact CD1-CG2 4.12Å; L82-T118 HydrophobicContact CD2-CG2 3.9Å; H100-T118 PolarHBondContact NE2-OG1 2.77Å; I105-T118 HydrophobicContact CG2-CG2 4.48Å; S107-T118 WeakPolarHBondContact O-CA 3.46Å; I108-T118 HydrophobicContact CD1-CG2 4.33Å; I108-T118 HydrophobicContact CG1-CG2 4.19Å; T118-I125 CarbonylContact O-C 3.21Å; T118-I125 WeakPolarHBondContact O-CA 3.01Å; T118-K126 PolarHBondContact N-O 2.88Å; T118-K126 PolarHBondContact O-N 2.9Å; T118-K126 PolarHBondContact OG1-O 2.89Å; T118-W128 PolarHBondContact OG1-NE1 2.83Å
119	G	96.7	Very high	94.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.4	167.9	0	0	0	0	0	110.3	S106 S107	S106-G119 PolarHBondContact N-O 3.05Å; S106-G119 PolarHBondContact OG-O 3.3Å; S107-G119 PolarHBondContact N-O 3.38Å; S107-G119 PolarHBondContact O-N 3.42Å
120	D	95.6	Very high	94.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	177.8	178.4	80	-3.5	0	0	0	112.2	H100 S103 P104 S106 N122 G123 I124 I154	H100-D120 HydrophobicContact CB-CB 4.22Å; H100-D120 IonicContact CG-OD2 3.75Å; H100-D120 IonicContact ND1-OD2 3.53Å; H100-D120 PolarHBondContact ND1-OD2 2.75Å; S103-D120 WeakPolarHBondContact CB-OD2 3.37Å; S103-D120 WeakPolarHBondContact OG-CB 3.22Å; S103-D120 PolarHBondContact OG-OD2 2.92Å; P104-D120 VanDerWaalsContact O-CA 3.27Å; P104-D120 WeakPolarHBondContact O-CA 3.38Å; P104-D120 WeakPolarHBondContact O-CB 3.44Å; S106-D120 PolarHBondContact OG-O 3.22Å; D120-N122 PolarHBondContact O-N 3.5Å; D120-N122 WeakPolarHBondContact OD1-CA 3.39Å; D120-N122 PolarHBondContact OD1-N 2.97Å; D120-G123 PolarHBondContact O-N 2.87Å; D120-G123 PolarHBondContact OD1-N 3.49Å; D120-I124 PolarHBondContact N-O 2.95Å; D120-I124 WeakPolarHBondContact OD1-CA 3.19Å; D120-I124 WeakPolarHBondContact OD1-CB 3.37Å; D120-I124 PolarHBondContact OD1-N 3.06Å; D120-I154 PolarHBondContact O-N 3.02Å
121	E	93.9	Very high	94.1	Very high	58 Å²	58	34.4 Å²	34.4	27%	0.271	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-10.3	-179.9	-68.9	-178.4	173.7	0	0	113.7	R61 P104 S153	R61-E121 IonicContact CZ-OE1 3.47Å; R61-E121 IonicContact NH1-OE1 3.9Å; R61-E121 PolarHBondContact NH1-OE1 2.88Å; R61-E121 IonicContact NH2-OE1 2.93Å; P104-E121 HydrophobicContact CB-CG 4.07Å; P104-E121 VanDerWaalsContact CG-OE2 3.22Å; P104-E121 WeakPolarHBondContact CG-OE2 3.46Å; P104-E121 PolarHBondContact O-N 2.87Å; P104-E121 VanDerWaalsContact O-N 3.07Å; E121-S153 WeakPolarHBondContact CA-OG 3.45Å; E121-S153 WeakPolarHBondContact CB-OG 3.14Å; E121-S153 WeakPolarHBondContact O-CA 3.2Å; E121-S153 PolarHBondContact O-N 2.86Å; E121-S153 PolarHBondContact O-OG 2.8Å; E121-S153 VanDerWaalsContact O-OG 3.09Å
122	N	92.4	Very high	94.1	Very high	91 Å²	91	39.2 Å²	39.2	49%	0.487	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7.4	178.4	-69.7	-35.9	0	0	0	113.1	S103 D120 I124	S103-N122 VanDerWaalsContact CB-ND2 3.33Å; S103-N122 WeakPolarHBondContact CB-ND2 3.39Å; S103-N122 PolarHBondContact OG-ND2 2.69Å; D120-N122 PolarHBondContact O-N 3.5Å; D120-N122 WeakPolarHBondContact OD1-CA 3.39Å; D120-N122 PolarHBondContact OD1-N 2.97Å; N122-I124 VanDerWaalsContact C-N 3.31Å; N122-I124 HydrophobicContact CB-CD1 4.47Å; N122-I124 HydrophobicContact CB-CG1 4.39Å; N122-I124 PolarHBondContact O-N 2.94Å
123	G	92.2	Very high	93.9	Very high	2 Å²	2	41.6 Å²	41.6	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	82.6	5.3	179.9	0	0	0	0	0	114.6	D120 P141 N152	D120-G123 PolarHBondContact O-N 2.87Å; D120-G123 PolarHBondContact OD1-N 3.49Å; G123-P141 VanDerWaalsContact O-CD 3.29Å; G123-P141 WeakPolarHBondContact O-CD 3.44Å; G123-N152 WeakPolarHBondContact CA-O 3.26Å; G123-N152 PolarHBondContact N-O 2.77Å
124	I	93.5	Very high	93.8	Very high	41 Å²	41	36.2 Å²	36.2	21%	0.21	20%	0.199	C	C	.	.			trans	-85	124.8	-176.8	-56.4	177.1	0	0	0	109.4	H100 D120 N122 K126 V138	H100-I124 PolarHBondContact CE1-O 3.4Å; D120-I124 PolarHBondContact N-O 2.95Å; D120-I124 WeakPolarHBondContact OD1-CA 3.19Å; D120-I124 WeakPolarHBondContact OD1-CB 3.37Å; D120-I124 PolarHBondContact OD1-N 3.06Å; N122-I124 VanDerWaalsContact C-N 3.31Å; N122-I124 HydrophobicContact CB-CD1 4.47Å; N122-I124 HydrophobicContact CB-CG1 4.39Å; N122-I124 PolarHBondContact O-N 2.94Å; I124-K126 HydrophobicContact CG2-CG 4.15Å; I124-V138 HydrophobicContact CG2-CG1 3.56Å
125	I	96.1	Very high	93.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.2	174.3	-61.1	-174.1	0	0	0	109.4	V117 T118 M139 I154 M157 L168 A170 Y180	V117-I125 HydrophobicContact CG1-CG2 3.07Å; T118-I125 CarbonylContact O-C 3.21Å; T118-I125 WeakPolarHBondContact O-CA 3.01Å; I125-M139 HydrophobicContact CB-CB 4.3Å; I125-M139 HydrophobicContact CB-CE 4.28Å; I125-M139 HydrophobicContact CG2-CE 3.52Å; I125-M139 PolarHBondContact N-O 2.9Å; I125-M139 PolarHBondContact O-N 3.46Å; I125-I154 HydrophobicContact CD1-CD1 4.36Å; I125-I154 HydrophobicContact CG1-CD1 4.3Å; I125-I154 HydrophobicContact CG1-CG1 4.07Å; I125-M157 HydrophobicContact CD1-SD 4.11Å; I125-M157 HydrophobicContact CG1-SD 4.46Å; I125-M157 HydrophobicContact CG2-SD 4.3Å; I125-L168 HydrophobicContact CD1-CD2 4.14Å; I125-L168 HydrophobicContact CG2-CD2 4.05Å; I125-A170 HydrophobicContact CD1-CB 4.03Å; I125-Y180 HydrophobicContact CD1-CD2 3.78Å; I125-Y180 HydrophobicContact CD1-CE1 4.25Å; I125-Y180 HydrophobicContact CD1-CE2 3.39Å; I125-Y180 HydrophobicContact CD1-CG 4.37Å
126	K	96.4	Very high	93.6	Very high	12 Å²	12	37.5 Å²	37.5	5%	0.052	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.4	175	-67.7	-173.1	-173.7	-173.9	0	111.2	A99 H100 E101 V117 T118 I124 W128 S137 V138	A99-K126 VanDerWaalsContact O-CD 3.27Å; A99-K126 WeakPolarHBondContact O-CD 3.29Å; A99-K126 PolarHBondContact O-NZ 2.95Å; H100-K126 VanDerWaalsContact CE1-CG 3.44Å; H100-K126 WeakPolarHBondContact CE1-CG 3.1Å; E101-K126 IonicContact OE1-NZ 2.7Å; E101-K126 PolarHBondContact OE1-NZ 2.86Å; V117-K126 WeakPolarHBondContact CA-O 3.41Å; T118-K126 PolarHBondContact N-O 2.88Å; T118-K126 PolarHBondContact O-N 2.9Å; T118-K126 PolarHBondContact OG1-O 2.89Å; I124-K126 HydrophobicContact CG2-CG 4.15Å; K126-W128 HydrophobicContact CB-CZ2 3.76Å; K126-W128 HydrophobicContact CD-CH2 4.36Å; K126-W128 HydrophobicContact CD-CZ2 3.83Å; K126-W128 HydrophobicContact CG-CZ2 4.44Å; K126-W128 VanDerWaalsContact O-CD1 3.31Å; K126-W128 PolarHBondContact O-NE1 2.88Å; K126-S137 WeakPolarHBondContact CA-O 3.27Å; K126-V138 HydrophobicContact CD-CG2 4.37Å; K126-V138 HydrophobicContact CG-CG1 4.25Å; K126-V138 HydrophobicContact CG-CG2 4.13Å
127	M	96	Very high	93.5	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.03	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.5	174.7	-173.5	-173	-179.5	0	0	110.2	L111 Q115 V117 S135 V136 S137 I182	L111-M127 HydrophobicContact CD1-CE 4.21Å; Q115-M127 HydrophobicContact CB-CE 4.33Å; Q115-M127 HydrophobicContact CG-CE 4.43Å; V117-M127 HydrophobicContact CG2-CB 4.47Å; V117-M127 HydrophobicContact CG2-CG 4.3Å; M127-S135 CarbonylContact O-C 3.52Å; M127-S135 WeakPolarHBondContact O-CA 3.41Å; M127-V136 PolarHBondContact O-N 3.33Å; M127-S137 PolarHBondContact N-O 2.83Å; M127-S137 PolarHBondContact O-N 3.42Å; M127-I182 HydrophobicContact CE-CG2 4.1Å; M127-I182 HydrophobicContact SD-CG2 4.27Å
128	W	96.6	Very high	93.3	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.4	-174.1	-53	88.7	0	0	0	111.2	L82 W94 C96 A99 Q115 W116 T118 K126 S135	L82-W128 HydrophobicContact CD2-CD2 4.32Å; L82-W128 HydrophobicContact CD2-CG 4.42Å; W94-W128 HydrophobicContact CH2-CD2 4.43Å; W94-W128 AromaticContact CH2-CE3 3.78Å; W94-W128 HydrophobicContact CH2-CE3 3.78Å; W94-W128 HydrophobicContact CH2-CZ3 4.13Å; W94-W128 AromaticContact CZ2-CE3 3.91Å; W94-W128 HydrophobicContact CZ2-CE3 3.91Å; W94-W128 HydrophobicContact CZ2-CZ3 4.37Å; C96-W128 HydrophobicContact CB-CZ3 4.46Å; A99-W128 HydrophobicContact CB-CH2 3.61Å; A99-W128 HydrophobicContact CB-CZ2 3.56Å; A99-W128 WeakPolarHBondContact O-CH2 3.44Å; A99-W128 WeakPolarHBondContact O-CZ2 3.34Å; Q115-W128 VanDerWaalsContact CA-O 3.25Å; Q115-W128 WeakPolarHBondContact CA-O 3.39Å; Q115-W128 WeakPolarHBondContact CB-O 3.44Å; W116-W128 AromaticContact CD1-CD1 3.44Å; W116-W128 VanDerWaalsContact CD1-CD1 3.44Å; W116-W128 AromaticContact CD1-CG 3.73Å; W116-W128 HydrophobicContact CD2-CB 3.86Å; W116-W128 AromaticContact CE2-CG 3.91Å; W116-W128 HydrophobicContact CG-CB 4.06Å; W116-W128 HydrophobicContact CZ2-CB 3.75Å; W116-W128 HydrophobicContact CZ2-CG 4.46Å; W116-W128 PolarHBondContact N-O 2.85Å; W116-W128 VanDerWaalsContact N-O 3.17Å; W116-W128 AromaticContact NE1-CD1 3.36Å; W116-W128 AromaticContact NE1-CG 3.23Å; W116-W128 PolarHBondContact O-N 3.37Å; T118-W128 PolarHBondContact OG1-NE1 2.83Å; K126-W128 HydrophobicContact CB-CZ2 3.76Å; K126-W128 HydrophobicContact CD-CH2 4.36Å; K126-W128 HydrophobicContact CD-CZ2 3.83Å; K126-W128 HydrophobicContact CG-CZ2 4.44Å; K126-W128 VanDerWaalsContact O-CD1 3.31Å; K126-W128 PolarHBondContact O-NE1 2.88Å; W128-S135 VanDerWaalsContact CZ3-N 3.26Å
129	D	93.9	Very high	93	Very high	5 Å²	5	42 Å²	42	3%	0.027	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	128.3	176.7	-173.4	-47.1	0	0	0	108.2	Q115 R131 K132 V136	Q115-D129 HydrophobicContact CG-CB 4.07Å; Q115-D129 PolarHBondContact NE2-OD2 2.9Å; D129-R131 PolarHBondContact O-N 2.69Å; D129-R131 VanDerWaalsContact OD1-CB 3.31Å; D129-R131 WeakPolarHBondContact OD1-CB 3.48Å; D129-R131 WeakPolarHBondContact OD1-CG 3.43Å; D129-R131 IonicContact OD1-CZ 3.93Å; D129-R131 PolarHBondContact OD1-N 3.04Å; D129-R131 IonicContact OD1-NE 3.59Å; D129-R131 PolarHBondContact OD1-NE 3.09Å; D129-R131 IonicContact OD1-NH2 3.44Å; D129-R131 IonicContact OD2-CZ 3.14Å; D129-R131 IonicContact OD2-NE 3.63Å; D129-R131 PolarHBondContact OD2-NE 3.35Å; D129-R131 IonicContact OD2-NH2 3.52Å; D129-R131 PolarHBondContact OD2-NH2 3.34Å; D129-K132 HydrophobicContact CB-CD 4.43Å; D129-K132 PolarHBondContact O-N 3.03Å; D129-K132 VanDerWaalsContact O-O 3.14Å; D129-V136 HydrophobicContact CB-CG2 3.66Å
130	A	92.9	Very high	92.6	Very high	48 Å²	48	45.6 Å²	45.6	40%	0.397	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.2	-178.5	0	0	0	0	0	113.7	G114 W116 K132	G114-A130 WeakPolarHBondContact O-CB 3.08Å; G114-A130 PolarHBondContact O-N 3.31Å; W116-A130 HydrophobicContact CH2-CB 4.15Å; W116-A130 HydrophobicContact CZ3-CB 3.86Å; A130-K132 VanDerWaalsContact C-N 3.27Å; A130-K132 PolarHBondContact O-N 3.22Å
131	R	92.7	Very high	91.7	Very high	193 Å²	193	46.9 Å²	46.9	73%	0.728	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.5	-177.8	-58.3	170.6	-68.7	-175.7	-1.8	112.8	D129	D129-R131 PolarHBondContact O-N 2.69Å; D129-R131 VanDerWaalsContact OD1-CB 3.31Å; D129-R131 WeakPolarHBondContact OD1-CB 3.48Å; D129-R131 WeakPolarHBondContact OD1-CG 3.43Å; D129-R131 IonicContact OD1-CZ 3.93Å; D129-R131 PolarHBondContact OD1-N 3.04Å; D129-R131 IonicContact OD1-NE 3.59Å; D129-R131 PolarHBondContact OD1-NE 3.09Å; D129-R131 IonicContact OD1-NH2 3.44Å; D129-R131 IonicContact OD2-CZ 3.14Å; D129-R131 IonicContact OD2-NE 3.63Å; D129-R131 PolarHBondContact OD2-NE 3.35Å; D129-R131 IonicContact OD2-NH2 3.52Å; D129-R131 PolarHBondContact OD2-NH2 3.34Å
132	K	92.1	Very high	90.8	Very high	106 Å²	106	47.5 Å²	47.5	46%	0.461	27%	0.269	S	S	.	.	S	Bend	trans	-116.1	148.2	-177.7	-68.4	177.4	173.2	-175	0	110	W94 D129 A130 G134 V136	W94-K132 PolarHBondContact NE1-O 3.37Å; D129-K132 HydrophobicContact CB-CD 4.43Å; D129-K132 PolarHBondContact O-N 3.03Å; D129-K132 VanDerWaalsContact O-O 3.14Å; A130-K132 VanDerWaalsContact C-N 3.27Å; A130-K132 PolarHBondContact O-N 3.22Å; K132-G134 VanDerWaalsContact C-N 3.34Å; K132-V136 HydrophobicContact CD-CG2 3.64Å
133	S	85	Confident	89.5	Confident	115 Å²	115	49.3 Å²	49.3	80%	0.804	28%	0.278	S	S	*	.	S	Bend	trans	-81	-11.7	179.7	50.5	0	0	0	0	114
134	G	88.8	Confident	88	Confident	29 Å²	29	57.5 Å²	57.5	30%	0.299	32%	0.315	S	S	.	.	S	Bend	trans	-139.1	-178.6	-176.6	0	0	0	0	0	113	K132	K132-G134 VanDerWaalsContact C-N 3.34Å
135	S	89.5	Confident	86.1	Confident	51 Å²	51	59.2 Å²	59.2	36%	0.357	33%	0.325	S	S	.	.			trans	-65.5	140.4	177.8	56.4	0	0	0	0	110.7	M127 W128	M127-S135 CarbonylContact O-C 3.52Å; M127-S135 WeakPolarHBondContact O-CA 3.41Å; W128-S135 VanDerWaalsContact CZ3-N 3.26Å
136	V	91.7	Very high	84.1	Confident	24 Å²	24	63.4 Å²	63.4	15%	0.145	34%	0.343	C	S	.	.	S	Bend	trans	-86.7	-28.3	177.7	-174.6	0	0	0	0	111.1	M127 D129 K132 R185	M127-V136 PolarHBondContact O-N 3.33Å; D129-V136 HydrophobicContact CB-CG2 3.66Å; K132-V136 HydrophobicContact CD-CG2 3.64Å; V136-R185 PolarHBondContact O-NH1 3.34Å
137	S	92.6	Very high	82.2	Confident	19 Å²	19	70 Å²	70	13%	0.133	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	152.3	178.3	-155.5	0	0	0	0	111	K126 M127 R185	K126-S137 WeakPolarHBondContact CA-O 3.27Å; M127-S137 PolarHBondContact N-O 2.83Å; M127-S137 PolarHBondContact O-N 3.42Å; S137-R185 WeakPolarHBondContact OG-CB 3.39Å
138	V	93.2	Very high	80.6	Confident	72 Å²	72	72.9 Å²	72.9	44%	0.436	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.1	165.9	-172.7	0	0	0	0	106.3	I124 K126 T140	I124-V138 HydrophobicContact CG2-CG1 3.56Å; K126-V138 HydrophobicContact CD-CG2 4.37Å; K126-V138 HydrophobicContact CG-CG1 4.25Å; K126-V138 HydrophobicContact CG-CG2 4.13Å; V138-T140 HydrophobicContact CG1-CG2 4.33Å
139	M	91.9	Very high	79.2	Confident	4 Å²	4	77.8 Å²	77.8	2%	0.02	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.5	175.7	-63.9	179.6	-63.5	0	0	106.5	I125 L168 Y180	I125-M139 HydrophobicContact CB-CB 4.3Å; I125-M139 HydrophobicContact CB-CE 4.28Å; I125-M139 HydrophobicContact CG2-CE 3.52Å; I125-M139 PolarHBondContact N-O 2.9Å; I125-M139 PolarHBondContact O-N 3.46Å; M139-L168 HydrophobicContact CE-CD2 4.15Å; M139-Y180 HydrophobicContact CB-CD1 3.95Å; M139-Y180 HydrophobicContact CB-CE1 4.14Å; M139-Y180 HydrophobicContact SD-CD1 4.43Å
140	T	86.8	Confident	78.1	Confident	77 Å²	77	85.5 Å²	85.5	47%	0.472	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-100	146.5	175.8	53	0	0	0	0	109	V138	V138-T140 HydrophobicContact CG1-CG2 4.33Å
141	P	77.9	Confident	77.5	Confident	28 Å²	28	88.4 Å²	88.4	18%	0.182	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-62.4	162.6	169.4	26.9	-32.6	0	0	0	109.8	G123 I143	G123-P141 VanDerWaalsContact O-CD 3.29Å; G123-P141 WeakPolarHBondContact O-CD 3.44Å; P141-I143 PolarHBondContact O-N 3.42Å
142	D	74.3	Confident	77.3	Confident	70 Å²	70	79.6 Å²	79.6	37%	0.374	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-64.4	129.6	173.4	-160.9	-15.6	0	0	0	110.3	E144 N145 F187	D142-E144 PolarHBondContact O-N 2.58Å; D142-E144 PolarHBondContact OD1-N 3.44Å; D142-N145 PolarHBondContact O-N 2.92Å; D142-F187 HydrophobicContact CB-CD1 3.74Å; D142-F187 HydrophobicContact CB-CE1 3.47Å; D142-F187 VanDerWaalsContact CB-CE1 3.47Å; D142-F187 HydrophobicContact CB-CZ 4.2Å
143	I	64.4	Low	77.4	Confident	130 Å²	130	75.4 Å²	75.4	67%	0.667	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-70.6	-27.9	-175.6	-59.2	166.2	0	0	0	109.9	P141 N145 K146	P141-I143 PolarHBondContact O-N 3.42Å; I143-N145 VanDerWaalsContact C-N 3.25Å; I143-N145 PolarHBondContact O-N 3.41Å; I143-K146 PolarHBondContact O-N 3.06Å
144	E	61.1	Low	78	Confident	173 Å²	173	70 Å²	70	81%	0.808	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-67.7	-24.9	-178	-63.8	-171.7	176.2	0	0	113	D142	D142-E144 PolarHBondContact O-N 2.58Å; D142-E144 PolarHBondContact OD1-N 3.44Å
145	N	55.1	Low	78.3	Confident	77 Å²	77	70.6 Å²	70.6	41%	0.412	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-101.3	13.2	-177.9	-74.9	-10.9	0	0	0	114	D142 I143 F147 S190	D142-N145 PolarHBondContact O-N 2.92Å; I143-N145 VanDerWaalsContact C-N 3.25Å; I143-N145 PolarHBondContact O-N 3.41Å; N145-F147 WeakPolarHBondContact O-CD2 3.34Å; N145-F147 PolarHBondContact O-N 3.09Å; N145-S190 PolarHBondContact ND2-OG 3.27Å
146	K	53.1	Low	78.7	Confident	88 Å²	88	69.8 Å²	69.8	38%	0.383	35%	0.352	S	S	.	.			trans	-68	96	173.1	-78.1	-176.7	153.4	-149.4	0	110.1	I143 D148 D149	I143-K146 PolarHBondContact O-N 3.06Å; K146-D148 VanDerWaalsContact C-N 3.31Å; K146-D149 IonicContact NZ-OD1 3.63Å; K146-D149 PolarHBondContact NZ-OD1 3.19Å
147	F	55.9	Low	79	Confident	152 Å²	152	69.1 Å²	69.1	67%	0.667	35%	0.347	S	S	*	.	S	Bend	trans	-63.8	-40.1	173.6	-76.8	-84.7	0	0	0	111.4	N145	N145-F147 WeakPolarHBondContact O-CD2 3.34Å; N145-F147 PolarHBondContact O-N 3.09Å
148	D	63.1	Low	79.2	Confident	65 Å²	65	68.9 Å²	68.9	35%	0.348	35%	0.346	S	S	.	.			trans	-153.4	141.4	176.7	-163.4	-14.7	0	0	0	109.9	K146 F150 F151 N152	K146-D148 VanDerWaalsContact C-N 3.31Å; D148-F150 PolarHBondContact O-N 3.4Å; D148-F150 VanDerWaalsContact OD1-CD2 3.27Å; D148-F150 WeakPolarHBondContact OD1-CD2 3.36Å; D148-F150 PolarHBondContact OD1-N 2.73Å; D148-F151 HydrophobicContact CB-CD2 4.02Å; D148-N152 PolarHBondContact O-ND2 3.47Å
149	D	66.7	Low	79.3	Confident	107 Å²	107	67 Å²	67	57%	0.572	33%	0.334	S	S	*	.	S	Bend	trans	-68.2	-19.7	174.7	-84.2	-36.1	0	0	0	111.8	K146 N152	K146-D149 IonicContact NZ-OD1 3.63Å; K146-D149 PolarHBondContact NZ-OD1 3.19Å; D149-N152 VanDerWaalsContact C-ND2 3.29Å; D149-N152 WeakPolarHBondContact CA-ND2 3.36Å; D149-N152 PolarHBondContact O-ND2 3.31Å
150	F	71.6	Confident	79.3	Confident	168 Å²	168	67.3 Å²	67.3	74%	0.737	34%	0.336	S	S	*	.	S	Bend	trans	-80.4	-28.5	-176.6	-71.4	-76	0	0	0	115.3	D148	D148-F150 PolarHBondContact O-N 3.4Å; D148-F150 VanDerWaalsContact OD1-CD2 3.27Å; D148-F150 WeakPolarHBondContact OD1-CD2 3.36Å; D148-F150 PolarHBondContact OD1-N 2.73Å
151	F	80.3	Confident	79.1	Confident	109 Å²	109	67.5 Å²	67.5	48%	0.478	34%	0.34	S	S	.	.	S	Bend	trans	-110	50.4	-170.7	-62.9	-76.1	0	0	0	112.5	D148 D173 D174	D148-F151 HydrophobicContact CB-CD2 4.02Å; F151-D173 WeakPolarHBondContact CD1-OD2 3.37Å; F151-D173 CarbonylContact O-C 3.55Å; F151-D174 HydrophobicContact CB-CB 4.5Å; F151-D174 WeakPolarHBondContact O-CA 3.37Å; F151-D174 VanDerWaalsContact O-CB 3.31Å; F151-D174 WeakPolarHBondContact O-CB 3.45Å; F151-D174 PolarHBondContact O-N 3.22Å
152	N	88.8	Confident	79.4	Confident	8 Å²	8	72.7 Å²	72.7	4%	0.043	37%	0.367	C	S	.	.			trans	-106.4	6.5	-176.6	-67.7	-61.2	0	0	0	114	G123 D148 D149 I154	G123-N152 WeakPolarHBondContact CA-O 3.26Å; G123-N152 PolarHBondContact N-O 2.77Å; D148-N152 PolarHBondContact O-ND2 3.47Å; D149-N152 VanDerWaalsContact C-ND2 3.29Å; D149-N152 WeakPolarHBondContact CA-ND2 3.36Å; D149-N152 PolarHBondContact O-ND2 3.31Å; N152-I154 PolarHBondContact O-N 3.25Å
153	S	93.9	Very high	79.9	Confident	18 Å²	18	73.2 Å²	73.2	13%	0.126	37%	0.37	C	S	.	.			trans	-61.6	131.3	-173.2	-71.4	0	0	0	0	112.3	E121 N155 V172 D173	E121-S153 WeakPolarHBondContact CA-OG 3.45Å; E121-S153 WeakPolarHBondContact CB-OG 3.14Å; E121-S153 WeakPolarHBondContact O-CA 3.2Å; E121-S153 PolarHBondContact O-N 2.86Å; E121-S153 PolarHBondContact O-OG 2.8Å; E121-S153 VanDerWaalsContact O-OG 3.09Å; S153-N155 PolarHBondContact O-N 3.01Å; S153-V172 WeakPolarHBondContact O-CA 3.26Å; S153-D173 PolarHBondContact O-N 2.89Å
154	I	96.4	Very high	80.6	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	96.4	173.6	-53.1	-58.1	0	0	0	108.8	S106 S107 D120 I125 N152 M157 A170 V172	S106-I154 WeakPolarHBondContact CB-O 3.42Å; S106-I154 PolarHBondContact OG-O 3.38Å; S107-I154 WeakPolarHBondContact CB-O 3.42Å; S107-I154 WeakPolarHBondContact OG-CG2 3.45Å; S107-I154 PolarHBondContact OG-O 3.37Å; D120-I154 PolarHBondContact O-N 3.02Å; I125-I154 HydrophobicContact CD1-CD1 4.36Å; I125-I154 HydrophobicContact CG1-CD1 4.3Å; I125-I154 HydrophobicContact CG1-CG1 4.07Å; N152-I154 PolarHBondContact O-N 3.25Å; I154-M157 HydrophobicContact CG2-CG 3.6Å; I154-M157 HydrophobicContact CG2-SD 4.08Å; I154-A170 HydrophobicContact CD1-CB 4.41Å; I154-A170 HydrophobicContact CG2-CB 4.02Å; I154-V172 HydrophobicContact CD1-CG2 3.86Å
155	N	96.8	Very high	81.5	Confident	42 Å²	42	61.4 Å²	61.4	23%	0.225	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-46.1	-173	-71.1	-32.7	0	0	0	112.3	S153 A171 D173 S197 A198 R199	S153-N155 PolarHBondContact O-N 3.01Å; N155-A171 PolarHBondContact N-O 3.3Å; N155-D173 PolarHBondContact ND2-OD1 3.08Å; N155-S197 PolarHBondContact ND2-OG 3.43Å; N155-A198 WeakPolarHBondContact CB-O 3.39Å; N155-A198 PolarHBondContact ND2-O 3.25Å; N155-R199 WeakPolarHBondContact CB-O 3.06Å
156	E	97.6	Very high	83.2	Confident	33 Å²	33	58.2 Å²	58.2	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	154.2	176.8	-176.3	156.1	-154.2	0	0	111	A170 A171 T200 L201 K259	E156-A170 CarbonylContact O-C 3.2Å; E156-A170 WeakPolarHBondContact O-CA 3.34Å; E156-A171 PolarHBondContact O-N 3.28Å; E156-T200 WeakPolarHBondContact OE2-CA 3.33Å; E156-T200 VanDerWaalsContact OE2-CB 3.25Å; E156-T200 WeakPolarHBondContact OE2-CB 3.4Å; E156-T200 PolarHBondContact OE2-OG1 3.26Å; E156-L201 HydrophobicContact CB-CD2 4.2Å; E156-L201 HydrophobicContact CB-CG 4.49Å; E156-L201 HydrophobicContact CG-CD2 4.35Å; E156-L201 HydrophobicContact CG-CG 4.23Å; E156-L201 WeakPolarHBondContact O-CD2 3.42Å; E156-L201 PolarHBondContact OE2-N 2.96Å; E156-K259 IonicContact OE1-NZ 3.69Å; E156-K259 PolarHBondContact OE1-NZ 3.14Å; E156-K259 IonicContact OE2-NZ 2.74Å; E156-K259 PolarHBondContact OE2-NZ 3.35Å
157	M	97.7	Very high	85.2	Confident	10 Å²	10	55 Å²	55	5%	0.049	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.4	175.2	-66.3	-177.9	-67.2	0	0	110.5	L109 V117 I125 I154 L168 L169 A170	L109-M157 HydrophobicContact CB-CB 4.14Å; L109-M157 HydrophobicContact CB-CE 4.03Å; L109-M157 HydrophobicContact CD2-CB 4.07Å; V117-M157 HydrophobicContact CB-CE 4.5Å; V117-M157 HydrophobicContact CG1-CE 4.14Å; V117-M157 HydrophobicContact CG1-SD 3.85Å; I125-M157 HydrophobicContact CD1-SD 4.11Å; I125-M157 HydrophobicContact CG1-SD 4.46Å; I125-M157 HydrophobicContact CG2-SD 4.3Å; I154-M157 HydrophobicContact CG2-CG 3.6Å; I154-M157 HydrophobicContact CG2-SD 4.08Å; M157-L168 HydrophobicContact CB-CD1 4.01Å; M157-L168 HydrophobicContact CG-CD1 4.46Å; M157-L168 HydrophobicContact SD-CD1 4.38Å; M157-L168 HydrophobicContact SD-CD2 4.4Å; M157-L169 CarbonylContact C-O 3.55Å; M157-L169 WeakPolarHBondContact CA-O 3.19Å; M157-A170 HydrophobicContact CG-CB 4.18Å
158	A	96.8	Very high	87.1	Confident	14 Å²	14	47.8 Å²	47.8	12%	0.116	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161.5	170.4	0	0	0	0	0	112	L169 L201 V203	A158-L169 PolarHBondContact N-O 3.28Å; A158-L169 PolarHBondContact O-N 2.96Å; A158-L201 HydrophobicContact CB-CD1 3.31Å; A158-L201 HydrophobicContact CB-CG 4.27Å; A158-V203 HydrophobicContact CB-CG2 4.07Å
159	I	95.4	Very high	88.7	Confident	33 Å²	33	44.7 Å²	44.7	17%	0.169	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	166.2	176.6	49.7	164.7	0	0	0	109.6	L109 L111 L168 I182	L109-I159 HydrophobicContact CD1-CG1 4.49Å; L109-I159 HydrophobicContact CD2-CB 4.32Å; L109-I159 HydrophobicContact CD2-CG1 4.11Å; L109-I159 HydrophobicContact CD2-CG2 3.62Å; L111-I159 HydrophobicContact CD2-CD1 4.04Å; L111-I159 HydrophobicContact CD2-CG2 4.24Å; I159-L168 HydrophobicContact CG2-CB 4.39Å; I159-L168 HydrophobicContact CG2-CD1 3.93Å; I159-I182 HydrophobicContact CG2-CD1 3.76Å
160	S	91.2	Very high	90.2	Very high	10 Å²	10	39.6 Å²	39.6	7%	0.07	21%	0.21	C	C	.	.			trans	-64.3	139.8	166.4	-176.8	0	0	0	0	110.5	N162 N207	S160-N162 PolarHBondContact O-N 3.2Å; S160-N162 PolarHBondContact OG-N 3.31Å; S160-N207 PolarHBondContact OG-ND2 2.87Å; S160-N207 PolarHBondContact OG-OD1 3.44Å
161	S	83.9	Confident	91.4	Very high	81 Å²	81	31.6 Å²	31.6	57%	0.566	18%	0.175	S	C	*	.	S	Bend	trans	-66	-21.6	171.9	59.8	0	0	0	0	113.3	N207	S161-N207 PolarHBondContact N-OD1 3.28Å; S161-N207 VanDerWaalsContact N-OD1 3.14Å; S161-N207 PolarHBondContact OG-ND2 2.83Å; S161-N207 PolarHBondContact OG-OD1 2.92Å
162	N	83.2	Confident	92.1	Very high	137 Å²	137	26.8 Å²	26.8	73%	0.733	16%	0.155	S	C	*	.	S	Bend	trans	-93.1	-22.2	-175.1	-65.6	-15.7	0	0	0	113.1	S160 N207	S160-N162 PolarHBondContact O-N 3.2Å; S160-N162 PolarHBondContact OG-N 3.31Å; N162-N207 PolarHBondContact ND2-ND2 3.49Å
163	D	85.4	Confident	92.3	Very high	82 Å²	82	28.3 Å²	28.3	44%	0.439	16%	0.163	S	C	.	.			trans	-140.6	96.7	-178.6	-174.4	3.7	0	0	0	110.7	H165 G166	D163-H165 PolarHBondContact O-N 2.88Å; D163-H165 PolarHBondContact OD1-N 2.75Å; D163-G166 VanDerWaalsContact CG-CA 3.49Å; D163-G166 PolarHBondContact O-N 3.42Å; D163-G166 PolarHBondContact OD1-N 3.22Å; D163-G166 WeakPolarHBondContact OD2-CA 3.27Å; D163-G166 PolarHBondContact OD2-N 3.29Å
164	S	79	Confident	92.2	Very high	13 Å²	13	29 Å²	29	9%	0.091	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.5	178.9	61.4	0	0	0	0	113.8	E112 I182	E112-S164 PolarHBondContact OE2-OG 2.88Å; S164-I182 WeakPolarHBondContact O-CD1 3.36Å
165	H	80.5	Confident	92	Very high	42 Å²	42	28.9 Å²	28.9	19%	0.194	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	9.9	-178.6	-66.7	-67.5	0	0	0	113.3	H113 Q115 D163 R183	H113-H165 AromaticContact CD2-NE2 3.96Å; Q115-H165 PolarHBondContact OE1-CE1 3.39Å; D163-H165 PolarHBondContact O-N 2.88Å; D163-H165 PolarHBondContact OD1-N 2.75Å; H165-R183 WeakPolarHBondContact O-CB 3.26Å; H165-R183 PolarHBondContact O-N 2.72Å; H165-R183 VanDerWaalsContact O-N 3.08Å
166	G	89.5	Confident	91.8	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	16%	0.156	C	C	.	.	S	Bend	trans	-85.9	-113.7	178.9	0	0	0	0	0	111.8	D163 I182	D163-G166 VanDerWaalsContact CG-CA 3.49Å; D163-G166 PolarHBondContact O-N 3.42Å; D163-G166 PolarHBondContact OD1-N 3.22Å; D163-G166 WeakPolarHBondContact OD2-CA 3.27Å; D163-G166 PolarHBondContact OD2-N 3.29Å; G166-I182 PolarHBondContact O-N 2.98Å
167	T	94.8	Very high	91.7	Very high	21 Å²	21	25.6 Å²	25.6	13%	0.129	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.4	-175.8	-52.2	0	0	0	0	111.2	L169 V179 Y180 F227	T167-L169 HydrophobicContact CG2-CD2 4.05Å; T167-V179 HydrophobicContact CG2-CG1 3.48Å; T167-V179 VanDerWaalsContact CG2-CG1 3.48Å; T167-Y180 WeakPolarHBondContact CA-O 3.25Å; T167-F227 HydrophobicContact CG2-CE2 4.02Å; T167-F227 HydrophobicContact CG2-CZ 4.3Å
168	L	96.3	Very high	91.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.7	169.3	171.7	69.9	0	0	0	108.8	L109 V117 I125 M139 M157 I159 Y180 I182	L109-L168 HydrophobicContact CD2-CD1 3.48Å; L109-L168 VanDerWaalsContact CD2-CD1 3.48Å; V117-L168 HydrophobicContact CG1-CD2 4.02Å; I125-L168 HydrophobicContact CD1-CD2 4.14Å; I125-L168 HydrophobicContact CG2-CD2 4.05Å; M139-L168 HydrophobicContact CE-CD2 4.15Å; M157-L168 HydrophobicContact CB-CD1 4.01Å; M157-L168 HydrophobicContact CG-CD1 4.46Å; M157-L168 HydrophobicContact SD-CD1 4.38Å; M157-L168 HydrophobicContact SD-CD2 4.4Å; I159-L168 HydrophobicContact CG2-CB 4.39Å; I159-L168 HydrophobicContact CG2-CD1 3.93Å; L168-Y180 PolarHBondContact N-O 3.28Å; L168-Y180 PolarHBondContact O-N 2.82Å; L168-I182 HydrophobicContact CB-CD1 3.96Å; L168-I182 HydrophobicContact CB-CG1 3.78Å
169	L	97.3	Very high	91.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.2	173.3	-58.8	179.4	0	0	0	109.2	M157 A158 T167 L177 A178 V179 L201 V203 V210 W224 F227	M157-L169 CarbonylContact C-O 3.55Å; M157-L169 WeakPolarHBondContact CA-O 3.19Å; A158-L169 PolarHBondContact N-O 3.28Å; A158-L169 PolarHBondContact O-N 2.96Å; T167-L169 HydrophobicContact CG2-CD2 4.05Å; L169-L177 HydrophobicContact CB-CD1 4.1Å; L169-A178 CarbonylContact C-O 3.6Å; L169-A178 WeakPolarHBondContact CA-O 3.25Å; L169-V179 HydrophobicContact CD2-CB 4.36Å; L169-V179 HydrophobicContact CD2-CG1 4.11Å; L169-V179 HydrophobicContact CD2-CG2 3.84Å; L169-L201 HydrophobicContact CB-CD1 4.02Å; L169-V203 HydrophobicContact CD1-CG2 4.47Å; L169-V210 HydrophobicContact CD1-CB 4.35Å; L169-V210 HydrophobicContact CD1-CG1 3.86Å; L169-V210 HydrophobicContact CD1-CG2 3.58Å; L169-W224 HydrophobicContact CD1-CE3 4.23Å; L169-W224 HydrophobicContact CD1-CH2 4.18Å; L169-W224 HydrophobicContact CD1-CZ3 3.57Å; L169-W224 HydrophobicContact CG-CZ3 4.35Å; L169-F227 HydrophobicContact CD1-CD1 4.48Å; L169-F227 HydrophobicContact CD1-CE1 3.83Å; L169-F227 HydrophobicContact CD1-CZ 4.35Å; L169-F227 HydrophobicContact CD2-CD1 3.95Å; L169-F227 HydrophobicContact CD2-CD2 4.44Å; L169-F227 HydrophobicContact CD2-CE1 3.73Å; L169-F227 HydrophobicContact CD2-CE2 4.24Å; L169-F227 HydrophobicContact CD2-CG 4.3Å; L169-F227 HydrophobicContact CD2-CZ 3.87Å; L169-F227 HydrophobicContact CG-CE1 4.41Å
170	A	97.3	Very high	91.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.1	177.8	0	0	0	0	0	109.9	I125 I154 E156 M157 V172 A178 Y180	I125-A170 HydrophobicContact CD1-CB 4.03Å; I154-A170 HydrophobicContact CD1-CB 4.41Å; I154-A170 HydrophobicContact CG2-CB 4.02Å; E156-A170 CarbonylContact O-C 3.2Å; E156-A170 WeakPolarHBondContact O-CA 3.34Å; M157-A170 HydrophobicContact CG-CB 4.18Å; A170-V172 HydrophobicContact CB-CG2 4.46Å; A170-A178 HydrophobicContact CB-CB 4.28Å; A170-A178 PolarHBondContact N-O 2.75Å; A170-A178 PolarHBondContact O-N 3.13Å; A170-Y180 HydrophobicContact CB-CE2 4.14Å
171	A	97	Very high	91.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	120.2	169.3	0	0	0	0	0	107.8	N155 E156 A198 L201	N155-A171 PolarHBondContact N-O 3.3Å; E156-A171 PolarHBondContact O-N 3.28Å; A171-A198 HydrophobicContact CB-CB 3.79Å; A171-A198 WeakPolarHBondContact CB-O 3.46Å; A171-L201 HydrophobicContact CB-CB 4.3Å; A171-L201 HydrophobicContact CB-CD2 3.44Å; A171-L201 VanDerWaalsContact CB-CD2 3.44Å; A171-L201 HydrophobicContact CB-CG 4.44Å
172	V	95.5	Very high	92.1	Very high	8 Å²	8	20 Å²	20	5%	0.048	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145.7	-173.4	-171.4	0	0	0	0	110	S153 I154 A170 D174 G175 T176 A178 A198	S153-V172 WeakPolarHBondContact O-CA 3.26Å; I154-V172 HydrophobicContact CD1-CG2 3.86Å; A170-V172 HydrophobicContact CB-CG2 4.46Å; V172-D174 VanDerWaalsContact CB-OD1 3.27Å; V172-D174 WeakPolarHBondContact CB-OD1 3.47Å; V172-D174 WeakPolarHBondContact CG1-OD1 3.44Å; V172-D174 PolarHBondContact O-N 2.95Å; V172-G175 PolarHBondContact O-N 3.23Å; V172-T176 PolarHBondContact N-O 3.05Å; V172-A178 HydrophobicContact CG2-CB 3.74Å; V172-A198 WeakPolarHBondContact O-CB 3.46Å; V172-A198 PolarHBondContact O-N 2.92Å
173	D	93.7	Very high	92.6	Very high	40 Å²	40	23.3 Å²	23.3	21%	0.214	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.9	-176	-156.8	49.9	0	0	0	114.3	F151 S153 N155 G175 S197	F151-D173 WeakPolarHBondContact CD1-OD2 3.37Å; F151-D173 CarbonylContact O-C 3.55Å; S153-D173 PolarHBondContact O-N 2.89Å; N155-D173 PolarHBondContact ND2-OD1 3.08Å; D173-G175 PolarHBondContact O-N 3.39Å; D173-S197 WeakPolarHBondContact O-CA 3.42Å; D173-S197 WeakPolarHBondContact O-CB 3.32Å; D173-S197 WeakPolarHBondContact OD1-CB 3.33Å; D173-S197 PolarHBondContact OD1-OG 3.07Å
174	D	91.5	Very high	92.9	Very high	32 Å²	32	27 Å²	27	17%	0.171	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-0.2	171.4	68.4	-5.3	0	0	0	113.5	F151 V172 T176 T193	F151-D174 HydrophobicContact CB-CB 4.5Å; F151-D174 WeakPolarHBondContact O-CA 3.37Å; F151-D174 VanDerWaalsContact O-CB 3.31Å; F151-D174 WeakPolarHBondContact O-CB 3.45Å; F151-D174 PolarHBondContact O-N 3.22Å; V172-D174 VanDerWaalsContact CB-OD1 3.27Å; V172-D174 WeakPolarHBondContact CB-OD1 3.47Å; V172-D174 WeakPolarHBondContact CG1-OD1 3.44Å; V172-D174 PolarHBondContact O-N 2.95Å; D174-T176 WeakPolarHBondContact OD1-CB 3.22Å; D174-T176 WeakPolarHBondContact OD1-CG2 3.37Å; D174-T176 PolarHBondContact OD1-N 3.38Å; D174-T176 PolarHBondContact OD1-OG1 3.45Å; D174-T176 PolarHBondContact OD2-OG1 3.16Å; D174-T193 PolarHBondContact O-OG1 2.6Å
175	G	91.7	Very high	93.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	79.4	24	-178	0	0	0	0	0	113.5	V172 D173 L194 F196	V172-G175 PolarHBondContact O-N 3.23Å; D173-G175 PolarHBondContact O-N 3.39Å; G175-L194 VanDerWaalsContact O-CB 3.27Å; G175-L194 WeakPolarHBondContact O-CB 3.38Å; G175-L194 WeakPolarHBondContact O-CG 3.4Å; G175-L194 PolarHBondContact O-N 2.85Å; G175-F196 WeakPolarHBondContact CA-O 3.33Å
176	T	93.1	Very high	94.1	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.031	15%	0.151	C	C	.	.			trans	-107.7	153.8	174.1	68.4	0	0	0	0	112.4	V172 D174	V172-T176 PolarHBondContact N-O 3.05Å; D174-T176 WeakPolarHBondContact OD1-CB 3.22Å; D174-T176 WeakPolarHBondContact OD1-CG2 3.37Å; D174-T176 PolarHBondContact OD1-N 3.38Å; D174-T176 PolarHBondContact OD1-OG1 3.45Å; D174-T176 PolarHBondContact OD2-OG1 3.16Å
177	L	95.6	Very high	94.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	104.5	163.1	-177.5	66.8	0	0	0	108.1	L169 S191 L201 V210 V212 F222 F227	L169-L177 HydrophobicContact CB-CD1 4.1Å; L177-S191 PolarHBondContact N-OG 3.19Å; L177-S191 PolarHBondContact O-N 2.89Å; L177-L201 HydrophobicContact CD1-CD2 4.46Å; L177-V210 HydrophobicContact CD2-CG1 4.46Å; L177-V212 HydrophobicContact CD1-CG2 4.02Å; L177-V212 HydrophobicContact CD2-CG2 4.34Å; L177-F222 HydrophobicContact CB-CE2 4.48Å; L177-F222 HydrophobicContact CB-CZ 4.37Å; L177-F222 HydrophobicContact CD2-CB 4.42Å; L177-F222 HydrophobicContact CD2-CD1 4.29Å; L177-F222 HydrophobicContact CD2-CD2 3.85Å; L177-F222 HydrophobicContact CD2-CE2 4.13Å; L177-F222 HydrophobicContact CD2-CG 3.93Å; L177-F222 HydrophobicContact CD2-CZ 4.45Å; L177-F227 HydrophobicContact CD2-CD1 4.13Å
178	A	95.1	Very high	94.2	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.025	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.2	177.8	0	0	0	0	0	111.1	L169 A170 V172 Y180 F187	L169-A178 CarbonylContact C-O 3.6Å; L169-A178 WeakPolarHBondContact CA-O 3.25Å; A170-A178 HydrophobicContact CB-CB 4.28Å; A170-A178 PolarHBondContact N-O 2.75Å; A170-A178 PolarHBondContact O-N 3.13Å; V172-A178 HydrophobicContact CG2-CB 3.74Å; A178-Y180 HydrophobicContact CB-CD2 4.41Å; A178-Y180 HydrophobicContact CB-CE2 3.57Å; A178-F187 HydrophobicContact CB-CE2 4.16Å
179	V	95.6	Very high	94.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.9	-175.1	-172.2	0	0	0	0	109.3	T167 L169 E188 M189 F227	T167-V179 HydrophobicContact CG2-CG1 3.48Å; T167-V179 VanDerWaalsContact CG2-CG1 3.48Å; L169-V179 HydrophobicContact CD2-CB 4.36Å; L169-V179 HydrophobicContact CD2-CG1 4.11Å; L169-V179 HydrophobicContact CD2-CG2 3.84Å; V179-E188 HydrophobicContact CG1-CB 4.46Å; V179-E188 PolarHBondContact O-N 3.27Å; V179-M189 WeakPolarHBondContact CA-O 3.44Å; V179-M189 HydrophobicContact CB-CG 3.79Å; V179-M189 WeakPolarHBondContact CB-O 3.42Å; V179-M189 HydrophobicContact CG1-CG 4.44Å; V179-M189 HydrophobicContact CG2-CG 3.85Å; V179-M189 PolarHBondContact N-O 3.04Å; V179-M189 PolarHBondContact O-N 3.04Å; V179-F227 HydrophobicContact CG1-CD2 3.94Å; V179-F227 HydrophobicContact CG1-CE2 4.17Å; V179-F227 HydrophobicContact CG2-CB 3.6Å; V179-F227 HydrophobicContact CG2-CD2 3.77Å; V179-F227 HydrophobicContact CG2-CG 3.73Å
180	Y	95.5	Very high	93.9	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.4	-179.7	-60.8	-99.3	0	0	0	110.4	I125 M139 T167 L168 A170 A178 F187	I125-Y180 HydrophobicContact CD1-CD2 3.78Å; I125-Y180 HydrophobicContact CD1-CE1 4.25Å; I125-Y180 HydrophobicContact CD1-CE2 3.39Å; I125-Y180 HydrophobicContact CD1-CG 4.37Å; M139-Y180 HydrophobicContact CB-CD1 3.95Å; M139-Y180 HydrophobicContact CB-CE1 4.14Å; M139-Y180 HydrophobicContact SD-CD1 4.43Å; T167-Y180 WeakPolarHBondContact CA-O 3.25Å; L168-Y180 PolarHBondContact N-O 3.28Å; L168-Y180 PolarHBondContact O-N 2.82Å; A170-Y180 HydrophobicContact CB-CE2 4.14Å; A178-Y180 HydrophobicContact CB-CD2 4.41Å; A178-Y180 HydrophobicContact CB-CE2 3.57Å; Y180-F187 HydrophobicContact CD1-CB 3.92Å; Y180-F187 HydrophobicContact CD1-CD2 4.09Å; Y180-F187 HydrophobicContact CE1-CB 3.83Å; Y180-F187 AromaticContact CE1-CD2 3.63Å; Y180-F187 HydrophobicContact CE1-CD2 3.63Å; Y180-F187 HydrophobicContact CE1-CG 4.23Å; Y180-F187 HydrophobicContact CE2-CD2 4.23Å; Y180-F187 AromaticContact CZ-CD2 3.7Å
181	N	93.8	Very high	93.7	Very high	23 Å²	23	45.1 Å²	45.1	12%	0.123	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	112.3	172.7	-168.8	-58	0	0	0	109.7	R183 R184 R185 R186 E188	N181-R183 PolarHBondContact O-N 3.49Å; N181-R183 PolarHBondContact OD1-N 3.33Å; N181-R184 HydrophobicContact CB-CB 4.05Å; N181-R184 WeakPolarHBondContact OD1-CB 3.44Å; N181-R184 PolarHBondContact OD1-N 2.87Å; N181-R185 VanDerWaalsContact O-CA 3.32Å; N181-R185 WeakPolarHBondContact O-CA 3.42Å; N181-R185 PolarHBondContact O-N 3.34Å; N181-R186 PolarHBondContact N-O 2.83Å; N181-R186 PolarHBondContact O-N 3.46Å; N181-E188 HydrophobicContact CB-CG 3.8Å; N181-E188 VanDerWaalsContact CB-OE1 3.25Å; N181-E188 WeakPolarHBondContact CB-OE1 3.43Å; N181-E188 PolarHBondContact ND2-OE1 3.28Å
182	I	93.6	Very high	93.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-42.9	-176.5	-63.1	170.9	0	0	0	110.2	L111 M127 I159 S164 G166 L168 R185	L111-I182 HydrophobicContact CD1-CD1 4.18Å; L111-I182 HydrophobicContact CD1-CG2 4.04Å; L111-I182 HydrophobicContact CD2-CD1 3.91Å; M127-I182 HydrophobicContact CE-CG2 4.1Å; M127-I182 HydrophobicContact SD-CG2 4.27Å; I159-I182 HydrophobicContact CG2-CD1 3.76Å; S164-I182 WeakPolarHBondContact O-CD1 3.36Å; G166-I182 PolarHBondContact O-N 2.98Å; L168-I182 HydrophobicContact CB-CD1 3.96Å; L168-I182 HydrophobicContact CB-CG1 3.78Å; I182-R185 VanDerWaalsContact O-CG 3.29Å; I182-R185 WeakPolarHBondContact O-CG 3.44Å; I182-R185 PolarHBondContact O-N 3.21Å
183	R	92.1	Very high	93.2	Very high	207 Å²	207	52.3 Å²	52.3	78%	0.781	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-44.8	-179.5	-170.6	178.9	-171.8	102.1	0.3	112.5	H165 N181 R185	H165-R183 WeakPolarHBondContact O-CB 3.26Å; H165-R183 PolarHBondContact O-N 2.72Å; H165-R183 VanDerWaalsContact O-N 3.08Å; N181-R183 PolarHBondContact O-N 3.49Å; N181-R183 PolarHBondContact OD1-N 3.33Å; R183-R185 VanDerWaalsContact C-N 3.31Å
184	R	92.8	Very high	93	Very high	159 Å²	159	51.3 Å²	51.3	60%	0.6	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.9	178.1	-66.4	179	170.3	171.6	-5.1	113	N181 R186	N181-R184 HydrophobicContact CB-CB 4.05Å; N181-R184 WeakPolarHBondContact OD1-CB 3.44Å; N181-R184 PolarHBondContact OD1-N 2.87Å; R184-R186 VanDerWaalsContact C-N 3.33Å; R184-R186 HydrophobicContact CB-CG 3.99Å; R184-R186 PolarHBondContact O-N 2.68Å
185	R	92.4	Very high	92.8	Very high	115 Å²	115	52.3 Å²	52.3	43%	0.434	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	44.8	177.9	-58.3	175.9	-178.8	-176.9	7	113.1	V136 S137 N181 I182 R183	V136-R185 PolarHBondContact O-NH1 3.34Å; S137-R185 WeakPolarHBondContact OG-CB 3.39Å; N181-R185 VanDerWaalsContact O-CA 3.32Å; N181-R185 WeakPolarHBondContact O-CA 3.42Å; N181-R185 PolarHBondContact O-N 3.34Å; I182-R185 VanDerWaalsContact O-CG 3.29Å; I182-R185 WeakPolarHBondContact O-CG 3.44Å; I182-R185 PolarHBondContact O-N 3.21Å; R183-R185 VanDerWaalsContact C-N 3.31Å
186	R	92	Very high	92.8	Very high	133 Å²	133	56.3 Å²	56.3	50%	0.502	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154.8	-177.7	68.4	179.8	-169.9	-179.9	6.5	111.7	N181 R184	N181-R186 PolarHBondContact N-O 2.83Å; N181-R186 PolarHBondContact O-N 3.46Å; R184-R186 VanDerWaalsContact C-N 3.33Å; R184-R186 HydrophobicContact CB-CG 3.99Å; R184-R186 PolarHBondContact O-N 2.68Å
187	F	93.3	Very high	92.8	Very high	37 Å²	37	56.6 Å²	56.6	16%	0.162	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	140.6	162.6	-179.9	-101	0	0	0	110.2	D142 A178 Y180 M189	D142-F187 HydrophobicContact CB-CD1 3.74Å; D142-F187 HydrophobicContact CB-CE1 3.47Å; D142-F187 VanDerWaalsContact CB-CE1 3.47Å; D142-F187 HydrophobicContact CB-CZ 4.2Å; A178-F187 HydrophobicContact CB-CE2 4.16Å; Y180-F187 HydrophobicContact CD1-CB 3.92Å; Y180-F187 HydrophobicContact CD1-CD2 4.09Å; Y180-F187 HydrophobicContact CE1-CB 3.83Å; Y180-F187 AromaticContact CE1-CD2 3.63Å; Y180-F187 HydrophobicContact CE1-CD2 3.63Å; Y180-F187 HydrophobicContact CE1-CG 4.23Å; Y180-F187 HydrophobicContact CE2-CD2 4.23Å; Y180-F187 AromaticContact CZ-CD2 3.7Å; F187-M189 VanDerWaalsContact CE2-O 3.25Å; F187-M189 WeakPolarHBondContact CE2-O 3.4Å; F187-M189 WeakPolarHBondContact CZ-O 3Å
188	E	92.8	Very high	92.8	Very high	76 Å²	76	56.6 Å²	56.6	36%	0.355	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-48.7	176.2	-69.3	-163.6	148.3	0	0	112	V179 N181	V179-E188 HydrophobicContact CG1-CB 4.46Å; V179-E188 PolarHBondContact O-N 3.27Å; N181-E188 HydrophobicContact CB-CG 3.8Å; N181-E188 VanDerWaalsContact CB-OE1 3.25Å; N181-E188 WeakPolarHBondContact CB-OE1 3.43Å; N181-E188 PolarHBondContact ND2-OE1 3.28Å
189	M	93.8	Very high	92.8	Very high	70 Å²	70	59.9 Å²	59.9	35%	0.345	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	168.2	-180	62.2	179.8	-62.2	0	0	112.1	V179 F187 F227 G228	V179-M189 WeakPolarHBondContact CA-O 3.44Å; V179-M189 HydrophobicContact CB-CG 3.79Å; V179-M189 WeakPolarHBondContact CB-O 3.42Å; V179-M189 HydrophobicContact CG1-CG 4.44Å; V179-M189 HydrophobicContact CG2-CG 3.85Å; V179-M189 PolarHBondContact N-O 3.04Å; V179-M189 PolarHBondContact O-N 3.04Å; F187-M189 VanDerWaalsContact CE2-O 3.25Å; F187-M189 WeakPolarHBondContact CE2-O 3.4Å; F187-M189 WeakPolarHBondContact CZ-O 3Å; M189-F227 HydrophobicContact SD-CB 4.38Å; M189-G228 VanDerWaalsContact CE-CA 3.43Å
190	S	93.1	Very high	92.9	Very high	27 Å²	27	59.8 Å²	59.8	19%	0.189	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	152.1	165.2	54.3	0	0	0	0	109.6	N145	N145-S190 PolarHBondContact ND2-OG 3.27Å
191	S	93.9	Very high	93	Very high	8 Å²	8	59.9 Å²	59.9	6%	0.056	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-67.8	171.4	166.4	69.7	0	0	0	0	111.6	L177 F227	L177-S191 PolarHBondContact N-OG 3.19Å; L177-S191 PolarHBondContact O-N 2.89Å; S191-F227 WeakPolarHBondContact CA-O 3.45Å; S191-F227 WeakPolarHBondContact CB-O 3.35Å
192	E	91.7	Very high	93.2	Very high	91 Å²	91	59.7 Å²	59.7	43%	0.425	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-54	153.6	155.4	67.1	-174.3	154.8	0	0	111.3	L194 G228 I230	E192-L194 PolarHBondContact O-N 2.57Å; E192-G228 PolarHBondContact N-O 3.43Å; E192-I230 HydrophobicContact CG-CD1 4.29Å; E192-I230 HydrophobicContact CG-CG1 4.24Å; E192-I230 WeakPolarHBondContact OE1-CG1 3.46Å; E192-I230 PolarHBondContact OE1-N 2.9Å
193	T	90.5	Very high	93.4	Very high	68 Å²	68	59.9 Å²	59.9	42%	0.417	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-68.8	132.5	174.7	-179.8	0	0	0	0	110.2	D174 G195	D174-T193 PolarHBondContact O-OG1 2.6Å; T193-G195 PolarHBondContact O-N 2.58Å; T193-G195 PolarHBondContact OG1-N 2.97Å; T193-G195 VanDerWaalsContact OG1-N 3.12Å
194	L	89.3	Confident	93.6	Very high	20 Å²	20	50 Å²	50	11%	0.105	24%	0.239	C	C	.	.			trans	-69.7	-11.9	171.4	-60.1	179.9	0	0	0	111.8	G175 E192 F196 A198 V212 T214 S220 F222 I230	G175-L194 VanDerWaalsContact O-CB 3.27Å; G175-L194 WeakPolarHBondContact O-CB 3.38Å; G175-L194 WeakPolarHBondContact O-CG 3.4Å; G175-L194 PolarHBondContact O-N 2.85Å; E192-L194 PolarHBondContact O-N 2.57Å; L194-F196 PolarHBondContact O-N 2.86Å; L194-A198 HydrophobicContact CD1-CB 4.11Å; L194-V212 HydrophobicContact CD1-CB 4.33Å; L194-V212 HydrophobicContact CD1-CG1 3.68Å; L194-T214 HydrophobicContact CB-CG2 4.18Å; L194-T214 HydrophobicContact CD1-CG2 3.69Å; L194-S220 WeakPolarHBondContact CD2-OG 3.25Å; L194-F222 HydrophobicContact CD2-CE2 4.3Å; L194-F222 HydrophobicContact CD2-CZ 3.9Å; L194-I230 HydrophobicContact CD2-CD1 3.44Å; L194-I230 VanDerWaalsContact CD2-CD1 3.44Å; L194-I230 HydrophobicContact CD2-CG1 3.79Å
195	G	86.6	Confident	93.7	Very high	53 Å²	53	44 Å²	44	55%	0.546	22%	0.217	S	C	.	.	S	Bend	trans	81.8	-7.1	-174.9	0	0	0	0	0	114.5	T193	T193-G195 PolarHBondContact O-N 2.58Å; T193-G195 PolarHBondContact OG1-N 2.97Å; T193-G195 VanDerWaalsContact OG1-N 3.12Å
196	F	91.3	Very high	93.7	Very high	84 Å²	84	44.2 Å²	44.2	37%	0.368	23%	0.227	S	C	.	.	S	Bend	trans	-149.1	150.1	-169.2	-69.7	-73.1	0	0	0	109.8	G175 L194 A198 T214 D215 E216	G175-F196 WeakPolarHBondContact CA-O 3.33Å; L194-F196 PolarHBondContact O-N 2.86Å; F196-A198 PolarHBondContact O-N 3.46Å; F196-T214 HydrophobicContact CB-CG2 4.4Å; F196-D215 VanDerWaalsContact CB-OD1 3.28Å; F196-D215 WeakPolarHBondContact CB-OD1 3.38Å; F196-E216 HydrophobicContact CB-CB 4.17Å; F196-E216 HydrophobicContact CD1-CB 3.77Å; F196-E216 HydrophobicContact CD1-CG 4.01Å; F196-E216 HydrophobicContact CD2-CB 3.87Å; F196-E216 HydrophobicContact CD2-CG 4.1Å; F196-E216 WeakPolarHBondContact CD2-OE2 3.36Å; F196-E216 HydrophobicContact CE1-CB 4.08Å; F196-E216 HydrophobicContact CE1-CG 3.77Å; F196-E216 HydrophobicContact CE2-CB 4.19Å; F196-E216 HydrophobicContact CE2-CG 3.88Å; F196-E216 WeakPolarHBondContact CE2-OE1 3.39Å; F196-E216 WeakPolarHBondContact CE2-OE2 3.48Å; F196-E216 HydrophobicContact CG-CB 3.65Å; F196-E216 HydrophobicContact CG-CG 4.16Å; F196-E216 HydrophobicContact CZ-CB 4.28Å; F196-E216 HydrophobicContact CZ-CG 3.7Å; F196-E216 VanDerWaalsContact CZ-OE1 3.26Å; F196-E216 WeakPolarHBondContact CZ-OE1 3.29Å
197	S	93.3	Very high	93.8	Very high	11 Å²	11	38.6 Å²	38.6	8%	0.077	21%	0.207	C	C	.	.			trans	-58.8	128	-173.3	168	0	0	0	0	111.3	N155 D173 R199 T214 D215	N155-S197 PolarHBondContact ND2-OG 3.43Å; D173-S197 WeakPolarHBondContact O-CA 3.42Å; D173-S197 WeakPolarHBondContact O-CB 3.32Å; D173-S197 WeakPolarHBondContact OD1-CB 3.33Å; D173-S197 PolarHBondContact OD1-OG 3.07Å; S197-R199 PolarHBondContact O-N 3.46Å; S197-T214 WeakPolarHBondContact O-CA 3.43Å; S197-D215 PolarHBondContact N-OD1 3.3Å; S197-D215 VanDerWaalsContact N-OD1 3.16Å; S197-D215 PolarHBondContact O-N 2.8Å
198	A	95.8	Very high	93.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	106.3	175.1	0	0	0	0	0	108.9	N155 A171 V172 L194 F196 V212	N155-A198 WeakPolarHBondContact CB-O 3.39Å; N155-A198 PolarHBondContact ND2-O 3.25Å; A171-A198 HydrophobicContact CB-CB 3.79Å; A171-A198 WeakPolarHBondContact CB-O 3.46Å; V172-A198 WeakPolarHBondContact O-CB 3.46Å; V172-A198 PolarHBondContact O-N 2.92Å; L194-A198 HydrophobicContact CD1-CB 4.11Å; F196-A198 PolarHBondContact O-N 3.46Å; A198-V212 HydrophobicContact CB-CG1 3.7Å
199	R	96.2	Very high	94	Very high	71 Å²	71	36.9 Å²	36.9	27%	0.268	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-34.8	-170.2	-76.2	-174.3	142.6	-105.3	16.7	114.2	N155 S197 G213 D215 S256 V257 E258 D306	N155-R199 WeakPolarHBondContact CB-O 3.06Å; S197-R199 PolarHBondContact O-N 3.46Å; R199-G213 PolarHBondContact N-O 3.47Å; R199-D215 HydrophobicContact CG-CB 4.41Å; R199-S256 WeakPolarHBondContact CD-OG 3.4Å; R199-S256 PolarHBondContact NE-OG 2.84Å; R199-V257 WeakPolarHBondContact CB-O 3.41Å; R199-E258 IonicContact CZ-OE1 3.69Å; R199-E258 IonicContact CZ-OE2 2.79Å; R199-E258 IonicContact NE-OE1 2.65Å; R199-E258 IonicContact NH1-OE1 2.82Å; R199-E258 PolarHBondContact NH1-OE1 3.09Å; R199-E258 IonicContact NH1-OE2 3.8Å; R199-E258 PolarHBondContact NH1-OE2 3.28Å; R199-E258 IonicContact NH2-OE1 2.8Å; R199-E258 IonicContact NH2-OE2 3.23Å; R199-D306 IonicContact NH2-OD1 2.64Å; R199-D306 PolarHBondContact NH2-OD1 2.64Å
200	T	97.8	Very high	94.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	150.8	-173.9	-177.3	0	0	0	0	110.3	E156 V212 G213 V257 I260	E156-T200 WeakPolarHBondContact OE2-CA 3.33Å; E156-T200 VanDerWaalsContact OE2-CB 3.25Å; E156-T200 WeakPolarHBondContact OE2-CB 3.4Å; E156-T200 PolarHBondContact OE2-OG1 3.26Å; T200-V212 CarbonylContact O-C 3.48Å; T200-V212 WeakPolarHBondContact O-CA 3.36Å; T200-G213 PolarHBondContact N-O 3.39Å; T200-G213 PolarHBondContact O-N 3.25Å; T200-V257 HydrophobicContact CG2-CG1 3.82Å; T200-I260 HydrophobicContact CG2-CB 4.13Å; T200-I260 HydrophobicContact CG2-CD1 3.93Å; T200-I260 HydrophobicContact CG2-CG1 3.64Å; T200-I260 PolarHBondContact OG1-N 2.91Å
201	L	97.6	Very high	94.4	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151.4	175.4	77.8	108.1	0	0	0	112.4	E156 A158 L169 A171 L177 V210 L211 V212	E156-L201 HydrophobicContact CB-CD2 4.2Å; E156-L201 HydrophobicContact CB-CG 4.49Å; E156-L201 HydrophobicContact CG-CD2 4.35Å; E156-L201 HydrophobicContact CG-CG 4.23Å; E156-L201 WeakPolarHBondContact O-CD2 3.42Å; E156-L201 PolarHBondContact OE2-N 2.96Å; A158-L201 HydrophobicContact CB-CD1 3.31Å; A158-L201 HydrophobicContact CB-CG 4.27Å; L169-L201 HydrophobicContact CB-CD1 4.02Å; A171-L201 HydrophobicContact CB-CB 4.3Å; A171-L201 HydrophobicContact CB-CD2 3.44Å; A171-L201 VanDerWaalsContact CB-CD2 3.44Å; A171-L201 HydrophobicContact CB-CG 4.44Å; L177-L201 HydrophobicContact CD1-CD2 4.46Å; L201-V210 HydrophobicContact CD1-CG1 4.37Å; L201-L211 CarbonylContact C-O 3.58Å; L201-L211 WeakPolarHBondContact CA-O 3.5Å; L201-L211 WeakPolarHBondContact CB-O 3.4Å; L201-V212 HydrophobicContact CB-CG2 4.21Å
202	T	97.4	Very high	94.6	Very high	19 Å²	19	31.9 Å²	31.9	12%	0.117	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	151.9	174.6	-163.6	0	0	0	0	111.7	V204 V210 L211 I260 V268	T202-V204 HydrophobicContact CG2-CG1 3.96Å; T202-V210 WeakPolarHBondContact O-CA 3.38Å; T202-L211 HydrophobicContact CG2-CB 4.06Å; T202-L211 HydrophobicContact CG2-CD1 4.06Å; T202-L211 HydrophobicContact CG2-CG 4.36Å; T202-L211 PolarHBondContact N-O 2.81Å; T202-L211 PolarHBondContact O-N 2.83Å; T202-I260 HydrophobicContact CG2-CB 4.25Å; T202-I260 HydrophobicContact CG2-CG2 3.51Å; T202-V268 HydrophobicContact CG2-CG1 4.3Å
203	V	97.1	Very high	94.9	Very high	7 Å²	7	27.6 Å²	27.6	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.7	-179.8	-174.6	0	0	0	0	109.3	A158 L169 N207 V210 W224 K262	A158-V203 HydrophobicContact CB-CG2 4.07Å; L169-V203 HydrophobicContact CD1-CG2 4.47Å; V203-N207 HydrophobicContact CG1-CB 4.19Å; V203-N207 WeakPolarHBondContact CG1-OD1 3.34Å; V203-V210 HydrophobicContact CG2-CG2 4.41Å; V203-W224 HydrophobicContact CG1-CE3 3.95Å; V203-W224 HydrophobicContact CG1-CZ3 3.85Å; V203-W224 HydrophobicContact CG2-CZ3 3.78Å; V203-K262 WeakPolarHBondContact O-CD 3.5Å; V203-K262 PolarHBondContact O-NZ 3.39Å
204	V	96.5	Very high	95.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	179	-172.1	-61.9	0	0	0	0	110.9	T202 N206 N207 S208 K209 L211 K262 V268 I282	T202-V204 HydrophobicContact CG2-CG1 3.96Å; V204-N206 VanDerWaalsContact C-N 3.27Å; V204-N206 PolarHBondContact O-N 2.91Å; V204-N207 PolarHBondContact O-N 2.71Å; V204-S208 PolarHBondContact O-N 3Å; V204-K209 HydrophobicContact CG2-CB 3.9Å; V204-K209 PolarHBondContact N-O 2.57Å; V204-K209 PolarHBondContact O-N 3.02Å; V204-L211 HydrophobicContact CG1-CD1 4.26Å; V204-L211 HydrophobicContact CG2-CD1 4.22Å; V204-L211 HydrophobicContact CG2-CD2 4.46Å; V204-L211 HydrophobicContact CG2-CG 4Å; V204-K262 HydrophobicContact CG1-CB 4.46Å; V204-K262 HydrophobicContact CG1-CD 4.02Å; V204-K262 HydrophobicContact CG1-CG 4.18Å; V204-V268 HydrophobicContact CG1-CG1 3.73Å; V204-I282 HydrophobicContact CG2-CG2 4.08Å
205	K	94.6	Very high	95.2	Very high	32 Å²	32	26.4 Å²	26.4	14%	0.139	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	45	178.7	-61.5	-72	-178.8	173.6	0	112.2	N207 S208 K209 E265 D266 I282 I283	K205-N207 PolarHBondContact O-N 2.67Å; K205-S208 WeakPolarHBondContact O-CB 3.42Å; K205-S208 PolarHBondContact O-N 2.93Å; K205-S208 VanDerWaalsContact O-N 3.07Å; K205-K209 HydrophobicContact CB-CB 4.26Å; K205-K209 HydrophobicContact CB-CG 4.18Å; K205-K209 HydrophobicContact CG-CB 4.35Å; K205-K209 HydrophobicContact CG-CG 4.22Å; K205-E265 WeakPolarHBondContact CA-O 3.43Å; K205-E265 PolarHBondContact N-O 3.25Å; K205-E265 PolarHBondContact N-OE2 3.12Å; K205-D266 WeakPolarHBondContact CD-OD1 3.05Å; K205-D266 WeakPolarHBondContact CE-OD1 3.43Å; K205-D266 IonicContact NZ-OD1 3.71Å; K205-D266 PolarHBondContact NZ-OD1 2.81Å; K205-I282 WeakPolarHBondContact CE-O 3.41Å; K205-I282 PolarHBondContact NZ-O 2.84Å; K205-I283 HydrophobicContact CG-CD1 4.29Å
206	N	93.9	Very high	95.4	Very high	119 Å²	119	28.3 Å²	28.3	64%	0.636	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	48	179.4	-59.7	-61.3	0	0	0	113.4	V204 S208 E265	V204-N206 VanDerWaalsContact C-N 3.27Å; V204-N206 PolarHBondContact O-N 2.91Å; N206-S208 VanDerWaalsContact C-N 3.27Å; N206-S208 PolarHBondContact O-N 3.14Å; N206-E265 WeakPolarHBondContact CA-OE2 3.41Å; N206-E265 PolarHBondContact N-OE2 2.89Å; N206-E265 WeakPolarHBondContact OD1-CG 3.42Å
207	N	93.1	Very high	95.3	Very high	16 Å²	16	24.5 Å²	24.5	9%	0.086	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	25.9	-175.3	-48.6	-60.9	0	0	0	114.2	S160 S161 N162 V203 V204 K205 W224	S160-N207 PolarHBondContact OG-ND2 2.87Å; S160-N207 PolarHBondContact OG-OD1 3.44Å; S161-N207 PolarHBondContact N-OD1 3.28Å; S161-N207 VanDerWaalsContact N-OD1 3.14Å; S161-N207 PolarHBondContact OG-ND2 2.83Å; S161-N207 PolarHBondContact OG-OD1 2.92Å; N162-N207 PolarHBondContact ND2-ND2 3.49Å; V203-N207 HydrophobicContact CG1-CB 4.19Å; V203-N207 WeakPolarHBondContact CG1-OD1 3.34Å; V204-N207 PolarHBondContact O-N 2.71Å; K205-N207 PolarHBondContact O-N 2.67Å; N207-W224 WeakPolarHBondContact O-CB 3.34Å
208	S	94.4	Very high	95.3	Very high	57 Å²	57	25.1 Å²	25.1	40%	0.399	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-26.6	171.8	-176.4	0	0	0	0	112.5	V204 K205 N206 W224	V204-S208 PolarHBondContact O-N 3Å; K205-S208 WeakPolarHBondContact O-CB 3.42Å; K205-S208 PolarHBondContact O-N 2.93Å; K205-S208 VanDerWaalsContact O-N 3.07Å; N206-S208 VanDerWaalsContact C-N 3.27Å; N206-S208 PolarHBondContact O-N 3.14Å; S208-W224 PolarHBondContact O-N 3.21Å
209	K	96.2	Very high	95.3	Very high	20 Å²	20	25.1 Å²	25.1	9%	0.087	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146	-172.1	-63.7	-72.6	169.5	-88.4	0	111.1	V204 K205 V221 F222 S223 I283	V204-K209 HydrophobicContact CG2-CB 3.9Å; V204-K209 PolarHBondContact N-O 2.57Å; V204-K209 PolarHBondContact O-N 3.02Å; K205-K209 HydrophobicContact CB-CB 4.26Å; K205-K209 HydrophobicContact CB-CG 4.18Å; K205-K209 HydrophobicContact CG-CB 4.35Å; K205-K209 HydrophobicContact CG-CG 4.22Å; K209-V221 HydrophobicContact CB-CG1 4.44Å; K209-V221 HydrophobicContact CD-CG1 3.9Å; K209-F222 CarbonylContact C-O 3.43Å; K209-F222 WeakPolarHBondContact CA-O 2.87Å; K209-S223 PolarHBondContact NZ-OG 2.97Å; K209-I283 HydrophobicContact CD-CD1 4.41Å; K209-I283 HydrophobicContact CG-CD1 4.06Å
210	V	97.6	Very high	95.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.3	174.4	-174.7	0	0	0	0	107.8	L169 L177 L201 T202 V203 V212 V221 F222 W224 F227	L169-V210 HydrophobicContact CD1-CB 4.35Å; L169-V210 HydrophobicContact CD1-CG1 3.86Å; L169-V210 HydrophobicContact CD1-CG2 3.58Å; L177-V210 HydrophobicContact CD2-CG1 4.46Å; L201-V210 HydrophobicContact CD1-CG1 4.37Å; T202-V210 WeakPolarHBondContact O-CA 3.38Å; V203-V210 HydrophobicContact CG2-CG2 4.41Å; V210-V212 HydrophobicContact CG1-CG2 4.37Å; V210-V221 CarbonylContact O-C 3.58Å; V210-V221 VanDerWaalsContact O-CA 3.32Å; V210-V221 WeakPolarHBondContact O-CA 3.2Å; V210-F222 HydrophobicContact CB-CB 4.26Å; V210-F222 PolarHBondContact N-O 3.09Å; V210-F222 PolarHBondContact O-N 2.93Å; V210-W224 HydrophobicContact CG2-CE3 3.67Å; V210-W224 HydrophobicContact CG2-CZ3 4.08Å; V210-F227 HydrophobicContact CG2-CE1 4.05Å
211	L	98	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.8	172.9	-54.2	178.7	0	0	0	108.7	L201 T202 V204 I219 S220 V221 I260 V268 I282	L201-L211 CarbonylContact C-O 3.58Å; L201-L211 WeakPolarHBondContact CA-O 3.5Å; L201-L211 WeakPolarHBondContact CB-O 3.4Å; T202-L211 HydrophobicContact CG2-CB 4.06Å; T202-L211 HydrophobicContact CG2-CD1 4.06Å; T202-L211 HydrophobicContact CG2-CG 4.36Å; T202-L211 PolarHBondContact N-O 2.81Å; T202-L211 PolarHBondContact O-N 2.83Å; V204-L211 HydrophobicContact CG1-CD1 4.26Å; V204-L211 HydrophobicContact CG2-CD1 4.22Å; V204-L211 HydrophobicContact CG2-CD2 4.46Å; V204-L211 HydrophobicContact CG2-CG 4Å; L211-I219 HydrophobicContact CB-CG2 4.06Å; L211-I219 HydrophobicContact CD2-CG2 4.24Å; L211-S220 CarbonylContact C-O 3.57Å; L211-S220 WeakPolarHBondContact CA-O 3.38Å; L211-V221 HydrophobicContact CD2-CB 4.35Å; L211-V221 HydrophobicContact CD2-CG1 4.16Å; L211-V221 HydrophobicContact CD2-CG2 3.72Å; L211-I260 HydrophobicContact CB-CD1 4.42Å; L211-I260 HydrophobicContact CD1-CG2 4.48Å; L211-V268 HydrophobicContact CD1-CG1 3.79Å; L211-V268 HydrophobicContact CD1-CG2 4.11Å; L211-I282 HydrophobicContact CD1-CD1 3.45Å; L211-I282 VanDerWaalsContact CD1-CD1 3.45Å; L211-I282 HydrophobicContact CD1-CG1 3.79Å; L211-I282 HydrophobicContact CD2-CD1 4.23Å; L211-I282 HydrophobicContact CD2-CG2 4.25Å; L211-I282 HydrophobicContact CG-CD1 4.48Å
212	V	98.1	Very high	95.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.1	174.4	-176.9	0	0	0	0	108	L177 L194 A198 T200 L201 V210 I219 S220 F222	L177-V212 HydrophobicContact CD1-CG2 4.02Å; L177-V212 HydrophobicContact CD2-CG2 4.34Å; L194-V212 HydrophobicContact CD1-CB 4.33Å; L194-V212 HydrophobicContact CD1-CG1 3.68Å; A198-V212 HydrophobicContact CB-CG1 3.7Å; T200-V212 CarbonylContact O-C 3.48Å; T200-V212 WeakPolarHBondContact O-CA 3.36Å; L201-V212 HydrophobicContact CB-CG2 4.21Å; V210-V212 HydrophobicContact CG1-CG2 4.37Å; V212-I219 CarbonylContact O-C 3.55Å; V212-I219 WeakPolarHBondContact O-CA 3.4Å; V212-S220 PolarHBondContact N-O 3.03Å; V212-S220 PolarHBondContact O-N 3.04Å; V212-F222 HydrophobicContact CB-CE2 4.24Å; V212-F222 HydrophobicContact CG2-CD2 3.94Å; V212-F222 HydrophobicContact CG2-CE2 3.76Å
213	G	97.1	Very high	95.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.4	175.2	0	0	0	0	0	111.3	R199 T200	R199-G213 PolarHBondContact N-O 3.47Å; T200-G213 PolarHBondContact N-O 3.39Å; T200-G213 PolarHBondContact O-N 3.25Å
214	T	95.4	Very high	95	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	163.7	179.9	68.4	0	0	0	0	113.2	L194 F196 S197 E216 G217 V218 V257	L194-T214 HydrophobicContact CB-CG2 4.18Å; L194-T214 HydrophobicContact CD1-CG2 3.69Å; F196-T214 HydrophobicContact CB-CG2 4.4Å; S197-T214 WeakPolarHBondContact O-CA 3.43Å; T214-E216 PolarHBondContact O-N 2.85Å; T214-E216 PolarHBondContact OG1-N 3.15Å; T214-G217 PolarHBondContact O-N 2.88Å; T214-G217 VanDerWaalsContact O-N 3.17Å; T214-V218 PolarHBondContact N-O 3.46Å; T214-V218 PolarHBondContact OG1-N 2.72Å; T214-V218 PolarHBondContact OG1-O 3.25Å; T214-V257 WeakPolarHBondContact O-CB 3.29Å; T214-V257 PolarHBondContact O-N 2.88Å
215	D	91.8	Very high	94.8	Very high	62 Å²	62	29.1 Å²	29.1	33%	0.332	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.1	172.3	67.6	-12.2	0	0	0	114.4	F196 S197 R199 G217 S256	F196-D215 VanDerWaalsContact CB-OD1 3.28Å; F196-D215 WeakPolarHBondContact CB-OD1 3.38Å; S197-D215 PolarHBondContact N-OD1 3.3Å; S197-D215 VanDerWaalsContact N-OD1 3.16Å; S197-D215 PolarHBondContact O-N 2.8Å; R199-D215 HydrophobicContact CG-CB 4.41Å; D215-G217 VanDerWaalsContact C-N 3.32Å; D215-S256 WeakPolarHBondContact CA-OG 3.43Å; D215-S256 VanDerWaalsContact O-CA 3.3Å; D215-S256 WeakPolarHBondContact O-CA 3.35Å
216	E	90.1	Very high	94.8	Very high	92 Å²	92	34.1 Å²	34.1	43%	0.43	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.4	171.8	-153.2	-162.7	-172.9	0	0	113.4	F196 T214 V218 I255	F196-E216 HydrophobicContact CB-CB 4.17Å; F196-E216 HydrophobicContact CD1-CB 3.77Å; F196-E216 HydrophobicContact CD1-CG 4.01Å; F196-E216 HydrophobicContact CD2-CB 3.87Å; F196-E216 HydrophobicContact CD2-CG 4.1Å; F196-E216 WeakPolarHBondContact CD2-OE2 3.36Å; F196-E216 HydrophobicContact CE1-CB 4.08Å; F196-E216 HydrophobicContact CE1-CG 3.77Å; F196-E216 HydrophobicContact CE2-CB 4.19Å; F196-E216 HydrophobicContact CE2-CG 3.88Å; F196-E216 WeakPolarHBondContact CE2-OE1 3.39Å; F196-E216 WeakPolarHBondContact CE2-OE2 3.48Å; F196-E216 HydrophobicContact CG-CB 3.65Å; F196-E216 HydrophobicContact CG-CG 4.16Å; F196-E216 HydrophobicContact CZ-CB 4.28Å; F196-E216 HydrophobicContact CZ-CG 3.7Å; F196-E216 VanDerWaalsContact CZ-OE1 3.26Å; F196-E216 WeakPolarHBondContact CZ-OE1 3.29Å; T214-E216 PolarHBondContact O-N 2.85Å; T214-E216 PolarHBondContact OG1-N 3.15Å; E216-V218 HydrophobicContact CB-CG2 4.45Å; E216-I255 CarbonylContact C-O 3.56Å
217	G	90.5	Very high	94.9	Very high	4 Å²	4	28.9 Å²	28.9	4%	0.041	15%	0.151	C	C	.	.	S	Bend	trans	87.8	20.1	-175.2	0	0	0	0	0	113.7	T214 D215 P235 I236 I255	T214-G217 PolarHBondContact O-N 2.88Å; T214-G217 VanDerWaalsContact O-N 3.17Å; D215-G217 VanDerWaalsContact C-N 3.32Å; G217-P235 CarbonylContact O-C 3.52Å; G217-P235 WeakPolarHBondContact O-CA 3.2Å; G217-I236 WeakPolarHBondContact O-CG2 3.33Å; G217-I236 PolarHBondContact O-N 2.7Å; G217-I255 WeakPolarHBondContact CA-O 3.47Å; G217-I255 PolarHBondContact N-O 3.25Å
218	V	92.6	Very high	94.9	Very high	25 Å²	25	29.1 Å²	29.1	15%	0.152	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.2	178.8	-179.2	0	0	0	0	109.4	T214 E216 R233	T214-V218 PolarHBondContact N-O 3.46Å; T214-V218 PolarHBondContact OG1-N 2.72Å; T214-V218 PolarHBondContact OG1-O 3.25Å; E216-V218 HydrophobicContact CB-CG2 4.45Å; V218-R233 HydrophobicContact CG1-CB 4.05Å
219	I	95.6	Very high	94.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.6	169.2	-59.2	177.5	0	0	0	107.6	L211 V212 R233 F234 V257 I260 V270 M280	L211-I219 HydrophobicContact CB-CG2 4.06Å; L211-I219 HydrophobicContact CD2-CG2 4.24Å; V212-I219 CarbonylContact O-C 3.55Å; V212-I219 WeakPolarHBondContact O-CA 3.4Å; I219-R233 WeakPolarHBondContact O-CA 3.15Å; I219-F234 HydrophobicContact CB-CD2 4.21Å; I219-F234 HydrophobicContact CB-CE2 3.7Å; I219-F234 HydrophobicContact CB-CZ 3.92Å; I219-F234 HydrophobicContact CD1-CE2 3.98Å; I219-F234 HydrophobicContact CG1-CE2 4.31Å; I219-F234 HydrophobicContact CG2-CE1 4.43Å; I219-F234 HydrophobicContact CG2-CE2 4.06Å; I219-F234 HydrophobicContact CG2-CZ 3.78Å; I219-F234 PolarHBondContact N-O 3.07Å; I219-F234 PolarHBondContact O-N 2.77Å; I219-V257 HydrophobicContact CG1-CG2 4.27Å; I219-I260 HydrophobicContact CD1-CD1 3.97Å; I219-I260 HydrophobicContact CG1-CD1 4.04Å; I219-I260 HydrophobicContact CG2-CD1 4.17Å; I219-V270 HydrophobicContact CD1-CG1 4.15Å; I219-V270 HydrophobicContact CD1-CG2 3.78Å; I219-M280 HydrophobicContact CD1-SD 3.96Å
220	S	95.7	Very high	94.7	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.028	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.9	174.8	-63	0	0	0	0	109.8	L194 L211 V212	L194-S220 WeakPolarHBondContact CD2-OG 3.25Å; L211-S220 CarbonylContact C-O 3.57Å; L211-S220 WeakPolarHBondContact CA-O 3.38Å; V212-S220 PolarHBondContact N-O 3.03Å; V212-S220 PolarHBondContact O-N 3.04Å
221	V	96.7	Very high	94.4	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.7	-178.4	-172	0	0	0	0	109	K209 V210 L211 C231 D232 F234	K209-V221 HydrophobicContact CB-CG1 4.44Å; K209-V221 HydrophobicContact CD-CG1 3.9Å; V210-V221 CarbonylContact O-C 3.58Å; V210-V221 VanDerWaalsContact O-CA 3.32Å; V210-V221 WeakPolarHBondContact O-CA 3.2Å; L211-V221 HydrophobicContact CD2-CB 4.35Å; L211-V221 HydrophobicContact CD2-CG1 4.16Å; L211-V221 HydrophobicContact CD2-CG2 3.72Å; V221-C231 WeakPolarHBondContact O-CA 3.31Å; V221-C231 WeakPolarHBondContact O-CB 3.46Å; V221-C231 PolarHBondContact O-N 3.17Å; V221-D232 HydrophobicContact CB-CB 4.18Å; V221-D232 HydrophobicContact CG2-CB 4.24Å; V221-D232 PolarHBondContact N-O 2.85Å; V221-D232 PolarHBondContact O-N 2.83Å; V221-F234 HydrophobicContact CG2-CD1 4.36Å; V221-F234 HydrophobicContact CG2-CE1 3.6Å; V221-F234 HydrophobicContact CG2-CZ 4.43Å
222	F	96.9	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147	172.2	-62	-96.9	0	0	0	110.1	L177 L194 K209 V210 V212 N229 I230	L177-F222 HydrophobicContact CB-CE2 4.48Å; L177-F222 HydrophobicContact CB-CZ 4.37Å; L177-F222 HydrophobicContact CD2-CB 4.42Å; L177-F222 HydrophobicContact CD2-CD1 4.29Å; L177-F222 HydrophobicContact CD2-CD2 3.85Å; L177-F222 HydrophobicContact CD2-CE2 4.13Å; L177-F222 HydrophobicContact CD2-CG 3.93Å; L177-F222 HydrophobicContact CD2-CZ 4.45Å; L194-F222 HydrophobicContact CD2-CE2 4.3Å; L194-F222 HydrophobicContact CD2-CZ 3.9Å; K209-F222 CarbonylContact C-O 3.43Å; K209-F222 WeakPolarHBondContact CA-O 2.87Å; V210-F222 HydrophobicContact CB-CB 4.26Å; V210-F222 PolarHBondContact N-O 3.09Å; V210-F222 PolarHBondContact O-N 2.93Å; V212-F222 HydrophobicContact CB-CE2 4.24Å; V212-F222 HydrophobicContact CG2-CD2 3.94Å; V212-F222 HydrophobicContact CG2-CE2 3.76Å; F222-N229 VanDerWaalsContact CD1-O 3.31Å; F222-N229 WeakPolarHBondContact CD1-O 3.3Å; F222-I230 HydrophobicContact CE1-CG1 3.9Å; F222-I230 HydrophobicContact CZ-CG1 3.74Å
223	S	95.9	Very high	93.9	Very high	17 Å²	17	45.4 Å²	45.4	12%	0.119	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	136	166.5	-78.3	0	0	0	0	109.2	K209 N225 E226	K209-S223 PolarHBondContact NZ-OG 2.97Å; S223-N225 PolarHBondContact O-N 3.02Å; S223-E226 CarbonylContact O-C 3.54Å; S223-E226 PolarHBondContact O-N 2.87Å
224	W	94.5	Very high	93.6	Very high	39 Å²	39	45.6 Å²	45.6	15%	0.148	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	137.1	176.1	-170.3	-88	0	0	0	110.6	L169 V203 N207 S208 V210 E226 F227	L169-W224 HydrophobicContact CD1-CE3 4.23Å; L169-W224 HydrophobicContact CD1-CH2 4.18Å; L169-W224 HydrophobicContact CD1-CZ3 3.57Å; L169-W224 HydrophobicContact CG-CZ3 4.35Å; V203-W224 HydrophobicContact CG1-CE3 3.95Å; V203-W224 HydrophobicContact CG1-CZ3 3.85Å; V203-W224 HydrophobicContact CG2-CZ3 3.78Å; N207-W224 WeakPolarHBondContact O-CB 3.34Å; S208-W224 PolarHBondContact O-N 3.21Å; V210-W224 HydrophobicContact CG2-CE3 3.67Å; V210-W224 HydrophobicContact CG2-CZ3 4.08Å; W224-E226 PolarHBondContact O-N 3.08Å; W224-F227 HydrophobicContact CD2-CE1 4.29Å; W224-F227 AromaticContact CD2-CZ 3.85Å; W224-F227 HydrophobicContact CD2-CZ 3.85Å; W224-F227 HydrophobicContact CE3-CE1 4.11Å; W224-F227 HydrophobicContact CE3-CZ 4.03Å; W224-F227 HydrophobicContact CG-CZ 4.18Å; W224-F227 HydrophobicContact CZ2-CZ 4.44Å; W224-F227 HydrophobicContact CZ3-CZ 4.4Å
225	N	92.3	Very high	93.3	Very high	119 Å²	119	47.7 Å²	47.7	64%	0.636	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	-0.8	-170.2	-56.7	-35.5	0	0	0	116.1	S223	S223-N225 PolarHBondContact O-N 3.02Å
226	E	94.9	Very high	93	Very high	137 Å²	137	45.1 Å²	45.1	64%	0.64	23%	0.233	S	C	*	.	B	Isolated β-bridge	trans	-123.5	55.5	175.2	-66.6	179.9	177.2	0	0	109.7	S223 W224 G228	S223-E226 CarbonylContact O-C 3.54Å; S223-E226 PolarHBondContact O-N 2.87Å; W224-E226 PolarHBondContact O-N 3.08Å; E226-G228 PolarHBondContact O-N 2.73Å
227	F	95.5	Very high	92.5	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.035	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.1	-171.9	-53.5	-66.2	0	0	0	114.4	T167 L169 L177 V179 M189 S191 V210 W224	T167-F227 HydrophobicContact CG2-CE2 4.02Å; T167-F227 HydrophobicContact CG2-CZ 4.3Å; L169-F227 HydrophobicContact CD1-CD1 4.48Å; L169-F227 HydrophobicContact CD1-CE1 3.83Å; L169-F227 HydrophobicContact CD1-CZ 4.35Å; L169-F227 HydrophobicContact CD2-CD1 3.95Å; L169-F227 HydrophobicContact CD2-CD2 4.44Å; L169-F227 HydrophobicContact CD2-CE1 3.73Å; L169-F227 HydrophobicContact CD2-CE2 4.24Å; L169-F227 HydrophobicContact CD2-CG 4.3Å; L169-F227 HydrophobicContact CD2-CZ 3.87Å; L169-F227 HydrophobicContact CG-CE1 4.41Å; L177-F227 HydrophobicContact CD2-CD1 4.13Å; V179-F227 HydrophobicContact CG1-CD2 3.94Å; V179-F227 HydrophobicContact CG1-CE2 4.17Å; V179-F227 HydrophobicContact CG2-CB 3.6Å; V179-F227 HydrophobicContact CG2-CD2 3.77Å; V179-F227 HydrophobicContact CG2-CG 3.73Å; M189-F227 HydrophobicContact SD-CB 4.38Å; S191-F227 WeakPolarHBondContact CA-O 3.45Å; S191-F227 WeakPolarHBondContact CB-O 3.35Å; V210-F227 HydrophobicContact CG2-CE1 4.05Å; W224-F227 HydrophobicContact CD2-CE1 4.29Å; W224-F227 AromaticContact CD2-CZ 3.85Å; W224-F227 HydrophobicContact CD2-CZ 3.85Å; W224-F227 HydrophobicContact CE3-CE1 4.11Å; W224-F227 HydrophobicContact CE3-CZ 4.03Å; W224-F227 HydrophobicContact CG-CZ 4.18Å; W224-F227 HydrophobicContact CZ2-CZ 4.44Å; W224-F227 HydrophobicContact CZ3-CZ 4.4Å
228	G	92.6	Very high	91.7	Very high	22 Å²	22	44.3 Å²	44.3	23%	0.227	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-37.3	-176	0	0	0	0	0	113.5	M189 E192 E226	M189-G228 VanDerWaalsContact CE-CA 3.43Å; E192-G228 PolarHBondContact N-O 3.43Å; E226-G228 PolarHBondContact O-N 2.73Å
229	N	93.4	Very high	90.6	Very high	116 Å²	116	44.8 Å²	44.8	62%	0.62	23%	0.229	S	C	*	.	S	Bend	trans	-128.1	148.1	-172.1	-60.3	-35.3	0	0	0	111.4	F222 C231	F222-N229 VanDerWaalsContact CD1-O 3.31Å; F222-N229 WeakPolarHBondContact CD1-O 3.3Å; N229-C231 PolarHBondContact O-N 2.77Å
230	I	93.9	Very high	89.2	Confident	40 Å²	40	48.6 Å²	48.6	21%	0.205	24%	0.244	C	C	.	.			trans	-70.9	126.1	173.5	-57	162.8	0	0	0	109	E192 L194 F222 D232 R233	E192-I230 HydrophobicContact CG-CD1 4.29Å; E192-I230 HydrophobicContact CG-CG1 4.24Å; E192-I230 WeakPolarHBondContact OE1-CG1 3.46Å; E192-I230 PolarHBondContact OE1-N 2.9Å; L194-I230 HydrophobicContact CD2-CD1 3.44Å; L194-I230 VanDerWaalsContact CD2-CD1 3.44Å; L194-I230 HydrophobicContact CD2-CG1 3.79Å; F222-I230 HydrophobicContact CE1-CG1 3.9Å; F222-I230 HydrophobicContact CZ-CG1 3.74Å; I230-D232 WeakPolarHBondContact CG2-O 3.46Å; I230-R233 HydrophobicContact CG2-CB 4.22Å
231	C	91.8	Very high	87.5	Confident	59 Å²	59	51.7 Å²	51.7	40%	0.399	26%	0.264	S	S	.	.	S	Bend	trans	-80.4	-39.3	176.8	177.7	0	0	0	0	112.1	V221 N229	V221-C231 WeakPolarHBondContact O-CA 3.31Å; V221-C231 WeakPolarHBondContact O-CB 3.46Å; V221-C231 PolarHBondContact O-N 3.17Å; N229-C231 PolarHBondContact O-N 2.77Å
232	D	93.2	Very high	85.4	Confident	38 Å²	38	53.4 Å²	53.4	20%	0.203	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	158.1	176.2	-173.7	25	0	0	0	109.2	V221 I230 N285 R378	V221-D232 HydrophobicContact CB-CB 4.18Å; V221-D232 HydrophobicContact CG2-CB 4.24Å; V221-D232 PolarHBondContact N-O 2.85Å; V221-D232 PolarHBondContact O-N 2.83Å; I230-D232 WeakPolarHBondContact CG2-O 3.46Å; D232-N285 PolarHBondContact OD2-ND2 2.98Å; D232-R378 IonicContact OD1-CZ 2.54Å; D232-R378 IonicContact OD1-NH1 3.5Å; D232-R378 PolarHBondContact OD1-NH1 3.37Å; D232-R378 IonicContact OD1-NH2 2.6Å; D232-R378 IonicContact OD2-CZ 3.89Å; D232-R378 IonicContact OD2-NH1 3.26Å; D232-R378 IonicContact OD2-NH2 3.57Å; D232-R378 PolarHBondContact OD2-NH2 3.19Å
233	R	91.7	Very high	83.1	Confident	166 Å²	166	61.9 Å²	61.9	63%	0.626	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147	139.6	174.3	65.5	-177.9	-171.1	175	2.9	110.4	V218 I219 I230	V218-R233 HydrophobicContact CG1-CB 4.05Å; I219-R233 WeakPolarHBondContact O-CA 3.15Å; I230-R233 HydrophobicContact CG2-CB 4.22Å
234	F	90.6	Very high	80.5	Confident	3 Å²	3	69.4 Å²	69.4	1%	0.013	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	139.5	178.9	51.5	-91	0	0	0	111.6	I219 V221 M280 I282 N285	I219-F234 HydrophobicContact CB-CD2 4.21Å; I219-F234 HydrophobicContact CB-CE2 3.7Å; I219-F234 HydrophobicContact CB-CZ 3.92Å; I219-F234 HydrophobicContact CD1-CE2 3.98Å; I219-F234 HydrophobicContact CG1-CE2 4.31Å; I219-F234 HydrophobicContact CG2-CE1 4.43Å; I219-F234 HydrophobicContact CG2-CE2 4.06Å; I219-F234 HydrophobicContact CG2-CZ 3.78Å; I219-F234 PolarHBondContact N-O 3.07Å; I219-F234 PolarHBondContact O-N 2.77Å; V221-F234 HydrophobicContact CG2-CD1 4.36Å; V221-F234 HydrophobicContact CG2-CE1 3.6Å; V221-F234 HydrophobicContact CG2-CZ 4.43Å; F234-M280 HydrophobicContact CD2-CE 3.79Å; F234-M280 HydrophobicContact CE2-CE 3.33Å; F234-M280 HydrophobicContact CE2-SD 4.24Å; F234-M280 HydrophobicContact CZ-CE 4.33Å; F234-I282 HydrophobicContact CZ-CD1 4.37Å; F234-N285 HydrophobicContact CD1-CB 3.71Å; F234-N285 HydrophobicContact CE1-CB 3.54Å; F234-N285 HydrophobicContact CE2-CB 4.42Å; F234-N285 HydrophobicContact CG-CB 4.22Å; F234-N285 HydrophobicContact CZ-CB 3.93Å
235	P	89.2	Confident	78.1	Confident	47 Å²	47	71 Å²	71	31%	0.305	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	141.4	176.3	30.5	-35.2	0	0	0	111.1	G217 L370	G217-P235 CarbonylContact O-C 3.52Å; G217-P235 WeakPolarHBondContact O-CA 3.2Å; P235-L370 WeakPolarHBondContact O-CD2 3.28Å
236	I	85.3	Confident	75.7	Confident	8 Å²	8	72.2 Å²	72.2	4%	0.041	38%	0.377	C	S	.	.			trans	-84.4	134.1	167.6	-164.7	165	0	0	0	110.2	G217 P238 V257 V270 T272 M280	G217-I236 WeakPolarHBondContact O-CG2 3.33Å; G217-I236 PolarHBondContact O-N 2.7Å; I236-P238 HydrophobicContact CG1-CG 4.35Å; I236-V257 HydrophobicContact CG2-CG2 3.9Å; I236-V270 HydrophobicContact CD1-CB 3.52Å; I236-V270 HydrophobicContact CD1-CG1 3.41Å; I236-V270 VanDerWaalsContact CD1-CG1 3.41Å; I236-V270 HydrophobicContact CD1-CG2 4.06Å; I236-T272 HydrophobicContact CD1-CG2 4.47Å; I236-T272 HydrophobicContact CG2-CG2 3.99Å; I236-M280 HydrophobicContact CD1-SD 3.82Å; I236-M280 HydrophobicContact CG1-SD 4.16Å
237	H	79.8	Confident	73.4	Confident	78 Å²	78	67.8 Å²	67.8	36%	0.361	36%	0.363	S	S	.	.			trans	-121.5	86.2	172.3	-67.8	79.4	0	0	0	108.1	L239 T249 L287	H237-L239 PolarHBondContact O-N 2.82Å; H237-T249 HydrophobicContact CB-CG2 4.25Å; H237-L287 WeakPolarHBondContact O-CD2 3.46Å
238	P	72.8	Confident	71.1	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	39%	0.394	C	S	.	.			trans	-55.9	130.2	-177.5	-24.1	34.2	0	0	0	110.9	I236 R240 I255 T272 V276	I236-P238 HydrophobicContact CG1-CG 4.35Å; P238-R240 PolarHBondContact O-N 2.79Å; P238-I255 HydrophobicContact CG-CD1 4.21Å; P238-I255 HydrophobicContact CG-CG2 4.2Å; P238-T272 HydrophobicContact CG-CG2 3.78Å; P238-V276 HydrophobicContact CB-CB 4Å; P238-V276 HydrophobicContact CB-CG1 3.89Å; P238-V276 HydrophobicContact CB-CG2 4.47Å
239	L	70.4	Confident	69	Low	35 Å²	35	77.7 Å²	77.7	18%	0.183	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-81.5	113.3	175.4	-68.9	174.2	0	0	0	108.5	H237 A247 L287 C290	H237-L239 PolarHBondContact O-N 2.82Å; L239-A247 HydrophobicContact CB-CB 4.3Å; L239-A247 HydrophobicContact CD2-CB 3.96Å; L239-L287 HydrophobicContact CD1-CD2 4.04Å; L239-L287 HydrophobicContact CG-CD2 3.79Å; L239-C290 WeakPolarHBondContact O-CB 3.39Å
240	R	66.9	Low	67	Low	81 Å²	81	73 Å²	73	31%	0.306	38%	0.378	S	S	.	.			trans	-75.3	139.6	172.8	-64.9	-172.6	178.8	-147.1	-4.1	110.5	P238 S242 A247 R248 D274	P238-R240 PolarHBondContact O-N 2.79Å; R240-S242 PolarHBondContact O-N 2.88Å; R240-A247 WeakPolarHBondContact O-CA 3.13Å; R240-R248 PolarHBondContact N-O 3.48Å; R240-D274 IonicContact CZ-OD2 3.88Å; R240-D274 IonicContact NE-OD2 2.75Å; R240-D274 IonicContact NH2-OD2 3.81Å; R240-D274 PolarHBondContact NH2-OD2 3.47Å
241	P	59.9	Low	64.7	Low	69 Å²	69	77.6 Å²	77.6	45%	0.448	41%	0.407	S	S	.	.			trans	-60.1	125.8	163.2	-1.7	12.2	0	0	0	108.1	Y293	P241-Y293 HydrophobicContact CB-CE1 4.24Å; P241-Y293 HydrophobicContact CG-CD1 3.45Å; P241-Y293 VanDerWaalsContact CG-CD1 3.45Å; P241-Y293 HydrophobicContact CG-CE1 3.33Å; P241-Y293 HydrophobicContact CG-CG 4.24Å
242	S	52.3	Low	62.4	Low	39 Å²	39	81.1 Å²	81.1	27%	0.273	43%	0.432	S	S	.	.			trans	-108.5	134.4	169.3	106	0	0	0	0	109	R240 Q244 G245 Q246	R240-S242 PolarHBondContact O-N 2.88Å; S242-Q244 PolarHBondContact O-N 2.81Å; S242-Q244 PolarHBondContact OG-N 3.47Å; S242-G245 PolarHBondContact O-N 3.1Å; S242-G245 PolarHBondContact OG-N 2.9Å; S242-Q246 WeakPolarHBondContact CB-O 3.35Å; S242-Q246 VanDerWaalsContact OG-C 3.3Å; S242-Q246 PolarHBondContact OG-N 3.18Å; S242-Q246 PolarHBondContact OG-O 2.97Å
243	K	48.3	Very low	60.5	Low	179 Å²	179	81.9 Å²	81.9	78%	0.778	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-18.4	170.7	-67.7	-175.6	179	177.4	0	112.9	A298	K243-A298 VanDerWaalsContact NZ-CB 3.35Å
244	Q	42.4	Very low	59.5	Low	174 Å²	174	77 Å²	77	81%	0.813	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	23.2	-178.3	-71.5	-175.3	-9.9	0	0	114	S242 Q246	S242-Q244 PolarHBondContact O-N 2.81Å; S242-Q244 PolarHBondContact OG-N 3.47Å; Q244-Q246 PolarHBondContact O-N 3.33Å; Q244-Q246 VanDerWaalsContact O-N 3.09Å
245	G	42.7	Very low	59.2	Low	73 Å²	73	78 Å²	78	75%	0.753	46%	0.455	S	S	*	.	S	Bend	trans	71.1	-0.5	171.9	0	0	0	0	0	117	S242	S242-G245 PolarHBondContact O-N 3.1Å; S242-G245 PolarHBondContact OG-N 2.9Å
246	Q	43	Very low	59.3	Low	145 Å²	145	76 Å²	76	68%	0.678	44%	0.443	S	S	*	.			trans	-111.7	98.6	171.8	-64.8	-167.7	19.1	0	0	110.3	S242 Q244 R248	S242-Q246 WeakPolarHBondContact CB-O 3.35Å; S242-Q246 VanDerWaalsContact OG-C 3.3Å; S242-Q246 PolarHBondContact OG-N 3.18Å; S242-Q246 PolarHBondContact OG-O 2.97Å; Q244-Q246 PolarHBondContact O-N 3.33Å; Q244-Q246 VanDerWaalsContact O-N 3.09Å; Q246-R248 PolarHBondContact O-N 3.03Å
247	A	45.5	Very low	59.7	Low	44 Å²	44	75.6 Å²	75.6	36%	0.364	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-50.2	116.9	170.3	0	0	0	0	0	109.2	L239 R240	L239-A247 HydrophobicContact CB-CB 4.3Å; L239-A247 HydrophobicContact CD2-CB 3.96Å; R240-A247 WeakPolarHBondContact O-CA 3.13Å
248	R	46.9	Very low	60.5	Low	182 Å²	182	72.4 Å²	72.4	69%	0.687	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-87.9	129.6	174.8	-66.6	-173.3	178.8	-175.8	0.1	107.3	R240 Q246	R240-R248 PolarHBondContact N-O 3.48Å; Q246-R248 PolarHBondContact O-N 3.03Å
249	T	49.1	Very low	61.6	Low	55 Å²	55	74.2 Å²	74.2	34%	0.337	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-56.3	139.9	157.4	42.8	0	0	0	0	108.2	H237 S367	H237-T249 HydrophobicContact CB-CG2 4.25Å; T249-S367 WeakPolarHBondContact CG2-OG 3.12Å
250	A	51.2	Low	62.9	Low	19 Å²	19	72.7 Å²	72.7	16%	0.157	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-53.2	150.4	173.3	0	0	0	0	0	111.1	I255	A250-I255 HydrophobicContact CB-CD1 3.47Å; A250-I255 VanDerWaalsContact CB-CD1 3.47Å; A250-I255 HydrophobicContact CB-CG1 4.28Å
251	V	46.3	Very low	64.4	Low	135 Å²	135	69.6 Å²	69.6	82%	0.818	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-57.3	148.4	178	-178.3	0	0	0	0	109	G253	V251-G253 PolarHBondContact O-N 3.46Å
252	S	43.4	Very low	66.1	Low	134 Å²	134	69 Å²	69	94%	0.937	41%	0.406	S	S	*	.	S	Bend	trans	-54.1	32.8	-171.3	-160.8	0	0	0	0	118.7
253	G	52.8	Low	68.2	Low	53 Å²	53	68.2 Å²	68.2	55%	0.546	40%	0.398	S	S	.	.	S	Bend	trans	-99.6	155.9	167.6	0	0	0	0	0	111.4	V251 I255	V251-G253 PolarHBondContact O-N 3.46Å; G253-I255 PolarHBondContact O-N 3.04Å
254	G	70	Confident	70.4	Confident	63 Å²	63	61.5 Å²	61.5	65%	0.649	37%	0.373	S	S	*	.			trans	-61.2	128.5	172.7	0	0	0	0	0	109.9
255	I	84.5	Confident	72.9	Confident	24 Å²	24	55.5 Å²	55.5	12%	0.123	35%	0.345	C	S	.	.			trans	-105.2	119.2	177.2	-61.6	165.5	0	0	0	105.6	E216 G217 P238 A250 G253 T272 D273	E216-I255 CarbonylContact C-O 3.56Å; G217-I255 WeakPolarHBondContact CA-O 3.47Å; G217-I255 PolarHBondContact N-O 3.25Å; P238-I255 HydrophobicContact CG-CD1 4.21Å; P238-I255 HydrophobicContact CG-CG2 4.2Å; A250-I255 HydrophobicContact CB-CD1 3.47Å; A250-I255 VanDerWaalsContact CB-CD1 3.47Å; A250-I255 HydrophobicContact CB-CG1 4.28Å; G253-I255 PolarHBondContact O-N 3.04Å; I255-T272 VanDerWaalsContact CG2-CB 3.48Å; I255-T272 HydrophobicContact CG2-CG2 3.64Å; I255-D273 WeakPolarHBondContact CG2-OD1 3.27Å
256	S	90.9	Very high	75.3	Confident	6 Å²	6	55 Å²	55	4%	0.042	33%	0.325	C	S	.	.			trans	-75.1	137.8	-180	171.3	0	0	0	0	112.1	R199 D215 E258 T272 D273	R199-S256 WeakPolarHBondContact CD-OG 3.4Å; R199-S256 PolarHBondContact NE-OG 2.84Å; D215-S256 WeakPolarHBondContact CA-OG 3.43Å; D215-S256 VanDerWaalsContact O-CA 3.3Å; D215-S256 WeakPolarHBondContact O-CA 3.35Å; S256-E258 VanDerWaalsContact CB-OE1 3.26Å; S256-E258 WeakPolarHBondContact CB-OE1 3.47Å; S256-E258 PolarHBondContact O-N 3.02Å; S256-E258 PolarHBondContact OG-OE1 2.91Å; S256-T272 WeakPolarHBondContact O-CA 3.34Å; S256-T272 WeakPolarHBondContact O-CB 3.44Å; S256-D273 WeakPolarHBondContact CB-OD2 3.43Å; S256-D273 PolarHBondContact N-OD1 3.26Å; S256-D273 PolarHBondContact N-OD2 3.22Å; S256-D273 PolarHBondContact O-N 3.31Å; S256-D273 VanDerWaalsContact O-N 3.09Å
257	V	95.1	Very high	77.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	105.4	164.9	-175.5	0	0	0	0	109	R199 T200 T214 I219 I236 I260 V270	R199-V257 WeakPolarHBondContact CB-O 3.41Å; T200-V257 HydrophobicContact CG2-CG1 3.82Å; T214-V257 WeakPolarHBondContact O-CB 3.29Å; T214-V257 PolarHBondContact O-N 2.88Å; I219-V257 HydrophobicContact CG1-CG2 4.27Å; I236-V257 HydrophobicContact CG2-CG2 3.9Å; V257-I260 HydrophobicContact CG1-CD1 4.07Å; V257-I260 HydrophobicContact CG1-CG1 3.77Å; V257-V270 HydrophobicContact CG1-CG1 3.53Å; V257-V270 HydrophobicContact CG2-CG1 4.4Å
258	E	95.4	Very high	80.3	Confident	10 Å²	10	46.1 Å²	46.1	5%	0.047	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-41.6	-176.5	-66.3	-63.1	125.5	0	0	112.2	R199 S256 A271 D273 C307 I308	R199-E258 IonicContact CZ-OE1 3.69Å; R199-E258 IonicContact CZ-OE2 2.79Å; R199-E258 IonicContact NE-OE1 2.65Å; R199-E258 IonicContact NH1-OE1 2.82Å; R199-E258 PolarHBondContact NH1-OE1 3.09Å; R199-E258 IonicContact NH1-OE2 3.8Å; R199-E258 PolarHBondContact NH1-OE2 3.28Å; R199-E258 IonicContact NH2-OE1 2.8Å; R199-E258 IonicContact NH2-OE2 3.23Å; S256-E258 VanDerWaalsContact CB-OE1 3.26Å; S256-E258 WeakPolarHBondContact CB-OE1 3.47Å; S256-E258 PolarHBondContact O-N 3.02Å; S256-E258 PolarHBondContact OG-OE1 2.91Å; E258-A271 PolarHBondContact N-O 3.05Å; E258-D273 HydrophobicContact CG-CB 3.95Å; E258-C307 VanDerWaalsContact OE2-CA 3.26Å; E258-C307 WeakPolarHBondContact OE2-CA 3.4Å; E258-C307 PolarHBondContact OE2-N 2.95Å; E258-I308 HydrophobicContact CB-CG2 3.47Å; E258-I308 VanDerWaalsContact CB-CG2 3.47Å; E258-I308 HydrophobicContact CG-CG2 3.82Å
259	K	97	Very high	82.7	Confident	39 Å²	39	37.5 Å²	37.5	17%	0.17	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	132.7	-177.2	-162.9	72.6	-177.8	170.7	0	112.9	E156 V261 V270 A271 L310	E156-K259 IonicContact OE1-NZ 3.69Å; E156-K259 PolarHBondContact OE1-NZ 3.14Å; E156-K259 IonicContact OE2-NZ 2.74Å; E156-K259 PolarHBondContact OE2-NZ 3.35Å; K259-V261 HydrophobicContact CG-CG1 4.16Å; K259-V270 CarbonylContact O-C 3.59Å; K259-V270 WeakPolarHBondContact O-CA 3.33Å; K259-A271 HydrophobicContact CB-CB 4.29Å; K259-A271 PolarHBondContact N-O 3.41Å; K259-A271 PolarHBondContact O-N 3.21Å; K259-L310 HydrophobicContact CB-CG 4.37Å; K259-L310 HydrophobicContact CG-CB 4.18Å; K259-L310 HydrophobicContact CG-CG 4.34Å
260	I	97.8	Very high	85	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.6	167.6	-57.1	169.1	0	0	0	108.5	T200 T202 L211 I219 V257 V268 A269 V270	T200-I260 HydrophobicContact CG2-CB 4.13Å; T200-I260 HydrophobicContact CG2-CD1 3.93Å; T200-I260 HydrophobicContact CG2-CG1 3.64Å; T200-I260 PolarHBondContact OG1-N 2.91Å; T202-I260 HydrophobicContact CG2-CB 4.25Å; T202-I260 HydrophobicContact CG2-CG2 3.51Å; L211-I260 HydrophobicContact CB-CD1 4.42Å; L211-I260 HydrophobicContact CD1-CG2 4.48Å; I219-I260 HydrophobicContact CD1-CD1 3.97Å; I219-I260 HydrophobicContact CG1-CD1 4.04Å; I219-I260 HydrophobicContact CG2-CD1 4.17Å; V257-I260 HydrophobicContact CG1-CD1 4.07Å; V257-I260 HydrophobicContact CG1-CG1 3.77Å; I260-V268 HydrophobicContact CG2-CB 3.82Å; I260-V268 HydrophobicContact CG2-CG1 4.22Å; I260-V268 HydrophobicContact CG2-CG2 4.04Å; I260-A269 WeakPolarHBondContact CA-O 3.26Å; I260-V270 HydrophobicContact CG1-CG1 4.11Å; I260-V270 HydrophobicContact CG1-CG2 4.22Å; I260-V270 HydrophobicContact CG2-CG2 4.47Å
261	V	97.4	Very high	87.1	Confident	16 Å²	16	34 Å²	34	10%	0.097	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.1	172.1	-63.4	0	0	0	0	111.2	K259 I263 V268 A269 L310 V312	K259-V261 HydrophobicContact CG-CG1 4.16Å; V261-I263 PolarHBondContact O-N 2.99Å; V261-V268 CarbonylContact O-C 3.6Å; V261-V268 VanDerWaalsContact O-CA 3.26Å; V261-V268 WeakPolarHBondContact O-CA 3.28Å; V261-V268 WeakPolarHBondContact O-CB 3.34Å; V261-A269 HydrophobicContact CG2-CB 3.89Å; V261-A269 PolarHBondContact N-O 3.23Å; V261-A269 PolarHBondContact O-N 3.24Å; V261-L310 HydrophobicContact CB-CB 4.35Å; V261-L310 HydrophobicContact CG1-CB 3.64Å; V261-L310 HydrophobicContact CG1-CD1 4.47Å; V261-L310 HydrophobicContact CG2-CB 3.77Å; V261-L310 HydrophobicContact CG2-CD1 3.66Å; V261-L310 HydrophobicContact CG2-CG 4.38Å; V261-V312 HydrophobicContact CB-CG2 3.75Å; V261-V312 HydrophobicContact CG1-CG2 4.48Å; V261-V312 HydrophobicContact CG2-CG2 3.77Å
262	K	96.6	Very high	89.2	Confident	57 Å²	57	27.5 Å²	27.5	25%	0.248	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	118	175.2	-175.1	172.1	60.6	-178	0	110.1	V203 V204 T264 E265	V203-K262 WeakPolarHBondContact O-CD 3.5Å; V203-K262 PolarHBondContact O-NZ 3.39Å; V204-K262 HydrophobicContact CG1-CB 4.46Å; V204-K262 HydrophobicContact CG1-CD 4.02Å; V204-K262 HydrophobicContact CG1-CG 4.18Å; K262-T264 WeakPolarHBondContact CG-O 3.41Å; K262-E265 WeakPolarHBondContact CE-OE1 3.24Å; K262-E265 IonicContact NZ-OE1 3.56Å; K262-E265 PolarHBondContact NZ-OE1 3.17Å; K262-E265 IonicContact NZ-OE2 3.51Å
263	I	96	Very high	91.4	Very high	22 Å²	22	23.2 Å²	23.2	11%	0.113	15%	0.147	C	C	.	.	S	Bend	trans	-86.4	-50.7	170.7	-60	166.8	0	0	0	108.7	V261 I267 A269 I319 T334 V338	V261-I263 PolarHBondContact O-N 2.99Å; I263-I267 HydrophobicContact CD1-CG2 4.15Å; I263-I267 PolarHBondContact N-O 3.19Å; I263-A269 HydrophobicContact CD1-CB 3.86Å; I263-A269 HydrophobicContact CG1-CB 4.27Å; I263-I319 HydrophobicContact CG1-CG2 4.18Å; I263-T334 HydrophobicContact CD1-CG2 3.8Å; I263-V338 HydrophobicContact CG2-CG2 4.39Å
264	T	94.9	Very high	92.9	Very high	39 Å²	39	21.8 Å²	21.8	24%	0.239	13%	0.127	C	C	.	.	S	Bend	trans	-135.1	173.9	173.2	71.8	0	0	0	0	108.9	K262 D266 I267 V338	K262-T264 WeakPolarHBondContact CG-O 3.41Å; T264-D266 PolarHBondContact O-N 3.36Å; T264-D266 PolarHBondContact OG1-N 2.87Å; T264-I267 PolarHBondContact N-O 3.47Å; T264-I267 VanDerWaalsContact N-O 3.1Å; T264-I267 PolarHBondContact O-N 3.03Å; T264-I267 VanDerWaalsContact O-O 3.05Å; T264-I267 WeakPolarHBondContact OG1-CB 3.46Å; T264-I267 WeakPolarHBondContact OG1-CG1 3.36Å; T264-I267 PolarHBondContact OG1-N 2.85Å; T264-I267 VanDerWaalsContact OG1-N 3.16Å; T264-V338 HydrophobicContact CG2-CG1 4.37Å; T264-V338 HydrophobicContact CG2-CG2 4.12Å
265	E	94.1	Very high	93.7	Very high	48 Å²	48	18.8 Å²	18.8	22%	0.224	10%	0.096	C	C	.	.	S	Bend	trans	-60.9	-17.9	177.8	-67.2	-61.3	144.1	0	0	114.3	K205 N206 K262	K205-E265 WeakPolarHBondContact CA-O 3.43Å; K205-E265 PolarHBondContact N-O 3.25Å; K205-E265 PolarHBondContact N-OE2 3.12Å; N206-E265 WeakPolarHBondContact CA-OE2 3.41Å; N206-E265 PolarHBondContact N-OE2 2.89Å; N206-E265 WeakPolarHBondContact OD1-CG 3.42Å; K262-E265 WeakPolarHBondContact CE-OE1 3.24Å; K262-E265 IonicContact NZ-OE1 3.56Å; K262-E265 PolarHBondContact NZ-OE1 3.17Å; K262-E265 IonicContact NZ-OE2 3.51Å
266	D	94.2	Very high	94	Very high	62 Å²	62	18 Å²	18	33%	0.332	9%	0.092	S	C	.	.	S	Bend	trans	-110.4	-14.2	-179.6	-59.5	-45.2	0	0	0	113.1	K205 T264 H281 I282	K205-D266 WeakPolarHBondContact CD-OD1 3.05Å; K205-D266 WeakPolarHBondContact CE-OD1 3.43Å; K205-D266 IonicContact NZ-OD1 3.71Å; K205-D266 PolarHBondContact NZ-OD1 2.81Å; T264-D266 PolarHBondContact O-N 3.36Å; T264-D266 PolarHBondContact OG1-N 2.87Å; D266-H281 PolarHBondContact O-CD2 3.31Å; D266-I282 PolarHBondContact O-N 2.86Å
267	I	95.3	Very high	94.1	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.015	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.8	-169.4	-53.7	170.8	0	0	0	110.8	I263 T264 M280 L288 V338 A341	I263-I267 HydrophobicContact CD1-CG2 4.15Å; I263-I267 PolarHBondContact N-O 3.19Å; T264-I267 PolarHBondContact N-O 3.47Å; T264-I267 VanDerWaalsContact N-O 3.1Å; T264-I267 PolarHBondContact O-N 3.03Å; T264-I267 VanDerWaalsContact O-O 3.05Å; T264-I267 WeakPolarHBondContact OG1-CB 3.46Å; T264-I267 WeakPolarHBondContact OG1-CG1 3.36Å; T264-I267 PolarHBondContact OG1-N 2.85Å; T264-I267 VanDerWaalsContact OG1-N 3.16Å; I267-M280 WeakPolarHBondContact CA-O 3.45Å; I267-L288 HydrophobicContact CG2-CD1 4.3Å; I267-V338 VanDerWaalsContact CD1-CA 3.43Å; I267-V338 HydrophobicContact CD1-CB 4.13Å; I267-V338 HydrophobicContact CD1-CG1 4.35Å; I267-V338 HydrophobicContact CD1-CG2 4.03Å; I267-A341 HydrophobicContact CD1-CB 3.44Å; I267-A341 VanDerWaalsContact CD1-CB 3.44Å; I267-A341 HydrophobicContact CG1-CB 3.79Å
268	V	97.3	Very high	94	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.3	175.7	-56.7	0	0	0	0	111.2	T202 V204 L211 I260 V261 V270 A279 M280 I282	T202-V268 HydrophobicContact CG2-CG1 4.3Å; V204-V268 HydrophobicContact CG1-CG1 3.73Å; L211-V268 HydrophobicContact CD1-CG1 3.79Å; L211-V268 HydrophobicContact CD1-CG2 4.11Å; I260-V268 HydrophobicContact CG2-CB 3.82Å; I260-V268 HydrophobicContact CG2-CG1 4.22Å; I260-V268 HydrophobicContact CG2-CG2 4.04Å; V261-V268 CarbonylContact O-C 3.6Å; V261-V268 VanDerWaalsContact O-CA 3.26Å; V261-V268 WeakPolarHBondContact O-CA 3.28Å; V261-V268 WeakPolarHBondContact O-CB 3.34Å; V268-V270 HydrophobicContact CG2-CG2 4.05Å; V268-A279 WeakPolarHBondContact O-CA 3.39Å; V268-M280 HydrophobicContact CG2-CB 4Å; V268-M280 PolarHBondContact N-O 3.48Å; V268-M280 PolarHBondContact O-N 2.94Å; V268-I282 HydrophobicContact CG1-CD1 4.46Å; V268-I282 HydrophobicContact CG1-CG1 3.94Å; V268-I282 HydrophobicContact CG2-CD1 3.7Å; V268-I282 HydrophobicContact CG2-CG1 3.97Å
269	A	97.4	Very high	93.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	135.7	162.1	0	0	0	0	0	109.5	I260 V261 I263 V277 S278 L310 I319	I260-A269 WeakPolarHBondContact CA-O 3.26Å; V261-A269 HydrophobicContact CG2-CB 3.89Å; V261-A269 PolarHBondContact N-O 3.23Å; V261-A269 PolarHBondContact O-N 3.24Å; I263-A269 HydrophobicContact CD1-CB 3.86Å; I263-A269 HydrophobicContact CG1-CB 4.27Å; A269-V277 HydrophobicContact CB-CG1 4.13Å; A269-S278 CarbonylContact C-O 3.57Å; A269-S278 WeakPolarHBondContact CA-O 3.35Å; A269-L310 HydrophobicContact CB-CD1 4.04Å; A269-I319 HydrophobicContact CB-CD1 3.6Å
270	V	96.7	Very high	93.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.9	178.9	-171.7	0	0	0	0	108.1	I219 I236 V257 K259 I260 V268 V277 S278 M280	I219-V270 HydrophobicContact CD1-CG1 4.15Å; I219-V270 HydrophobicContact CD1-CG2 3.78Å; I236-V270 HydrophobicContact CD1-CB 3.52Å; I236-V270 HydrophobicContact CD1-CG1 3.41Å; I236-V270 VanDerWaalsContact CD1-CG1 3.41Å; I236-V270 HydrophobicContact CD1-CG2 4.06Å; V257-V270 HydrophobicContact CG1-CG1 3.53Å; V257-V270 HydrophobicContact CG2-CG1 4.4Å; K259-V270 CarbonylContact O-C 3.59Å; K259-V270 WeakPolarHBondContact O-CA 3.33Å; I260-V270 HydrophobicContact CG1-CG1 4.11Å; I260-V270 HydrophobicContact CG1-CG2 4.22Å; I260-V270 HydrophobicContact CG2-CG2 4.47Å; V268-V270 HydrophobicContact CG2-CG2 4.05Å; V270-V277 CarbonylContact O-C 3.58Å; V270-V277 WeakPolarHBondContact O-CA 3.12Å; V270-S278 PolarHBondContact N-O 2.78Å; V270-S278 PolarHBondContact O-N 2.89Å; V270-M280 HydrophobicContact CG2-CG 4.14Å; V270-M280 HydrophobicContact CG2-SD 3.83Å
271	A	95	Very high	93.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.8	172.1	0	0	0	0	0	110.3	E258 K259 V276 V277 I308 L310	E258-A271 PolarHBondContact N-O 3.05Å; K259-A271 HydrophobicContact CB-CB 4.29Å; K259-A271 PolarHBondContact N-O 3.41Å; K259-A271 PolarHBondContact O-N 3.21Å; A271-V276 WeakPolarHBondContact CA-O 3.06Å; A271-V277 HydrophobicContact CB-CG2 4.17Å; A271-I308 HydrophobicContact CB-CB 4.48Å; A271-I308 HydrophobicContact CB-CD1 4.11Å; A271-I308 HydrophobicContact CB-CG1 4.1Å; A271-I308 HydrophobicContact CB-CG2 3.61Å; A271-L310 HydrophobicContact CB-CD1 3.81Å; A271-L310 HydrophobicContact CB-CD2 4.16Å; A271-L310 HydrophobicContact CB-CG 3.91Å
272	T	92.3	Very high	93.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	157.3	-179.9	45	0	0	0	0	111.8	I236 P238 I255 S256 D274 G275 V276	I236-T272 HydrophobicContact CD1-CG2 4.47Å; I236-T272 HydrophobicContact CG2-CG2 3.99Å; P238-T272 HydrophobicContact CG-CG2 3.78Å; I255-T272 VanDerWaalsContact CG2-CB 3.48Å; I255-T272 HydrophobicContact CG2-CG2 3.64Å; S256-T272 WeakPolarHBondContact O-CA 3.34Å; S256-T272 WeakPolarHBondContact O-CB 3.44Å; T272-D274 WeakPolarHBondContact CB-OD1 3.38Å; T272-D274 PolarHBondContact O-N 2.93Å; T272-D274 VanDerWaalsContact O-N 3.15Å; T272-D274 PolarHBondContact OG1-OD1 3.19Å; T272-G275 WeakPolarHBondContact O-CA 3.3Å; T272-G275 PolarHBondContact O-N 3.37Å; T272-V276 PolarHBondContact N-O 2.93Å; T272-V276 PolarHBondContact OG1-O 2.96Å; T272-V276 VanDerWaalsContact OG1-O 3.14Å
273	D	88.9	Confident	92.9	Very high	43 Å²	43	12.7 Å²	12.7	23%	0.23	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.9	179.5	63.4	-6	0	0	0	114.2	I255 S256 E258 G275 G304 A305	I255-D273 WeakPolarHBondContact CG2-OD1 3.27Å; S256-D273 WeakPolarHBondContact CB-OD2 3.43Å; S256-D273 PolarHBondContact N-OD1 3.26Å; S256-D273 PolarHBondContact N-OD2 3.22Å; S256-D273 PolarHBondContact O-N 3.31Å; S256-D273 VanDerWaalsContact O-N 3.09Å; E258-D273 HydrophobicContact CG-CB 3.95Å; D273-G275 PolarHBondContact O-N 3.28Å; D273-G304 CarbonylContact O-C 3.41Å; D273-G304 WeakPolarHBondContact O-CA 3.05Å; D273-A305 CarbonylContact O-C 3.53Å; D273-A305 PolarHBondContact O-N 2.99Å
274	D	84.1	Confident	92.5	Very high	24 Å²	24	12.2 Å²	12.2	13%	0.128	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	3.6	170.1	80.2	-21	0	0	0	113.6	R240 T272 V276 I295	R240-D274 IonicContact CZ-OD2 3.88Å; R240-D274 IonicContact NE-OD2 2.75Å; R240-D274 IonicContact NH2-OD2 3.81Å; R240-D274 PolarHBondContact NH2-OD2 3.47Å; T272-D274 WeakPolarHBondContact CB-OD1 3.38Å; T272-D274 PolarHBondContact O-N 2.93Å; T272-D274 VanDerWaalsContact O-N 3.15Å; T272-D274 PolarHBondContact OG1-OD1 3.19Å; D274-V276 VanDerWaalsContact C-N 3.31Å; D274-V276 PolarHBondContact O-N 3.42Å; D274-V276 WeakPolarHBondContact OD1-CB 3.41Å; D274-V276 PolarHBondContact OD1-N 2.74Å; D274-I295 WeakPolarHBondContact O-CD1 3.4Å
275	G	87.5	Confident	92.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	76.9	12.3	175.5	0	0	0	0	0	114.7	T272 D273 Y293 H294	T272-G275 WeakPolarHBondContact O-CA 3.3Å; T272-G275 PolarHBondContact O-N 3.37Å; D273-G275 PolarHBondContact O-N 3.28Å; G275-Y293 CarbonylContact O-C 3.59Å; G275-Y293 WeakPolarHBondContact O-CA 3.39Å; G275-H294 PolarHBondContact O-N 2.98Å
276	V	89.3	Confident	91.9	Very high	6 Å²	6	12.6 Å²	12.6	4%	0.036	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.4	173.1	-178.8	0	0	0	0	109.9	P238 A271 T272 D274	P238-V276 HydrophobicContact CB-CB 4Å; P238-V276 HydrophobicContact CB-CG1 3.89Å; P238-V276 HydrophobicContact CB-CG2 4.47Å; A271-V276 WeakPolarHBondContact CA-O 3.06Å; T272-V276 PolarHBondContact N-O 2.93Å; T272-V276 PolarHBondContact OG1-O 2.96Å; T272-V276 VanDerWaalsContact OG1-O 3.14Å; D274-V276 VanDerWaalsContact C-N 3.31Å; D274-V276 PolarHBondContact O-N 3.42Å; D274-V276 WeakPolarHBondContact OD1-CB 3.41Å; D274-V276 PolarHBondContact OD1-N 2.74Å
277	V	93.2	Very high	91.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.8	168.9	-172.2	0	0	0	0	108.2	A269 V270 A271 V291 G292 I308 L310 I319	A269-V277 HydrophobicContact CB-CG1 4.13Å; V270-V277 CarbonylContact O-C 3.58Å; V270-V277 WeakPolarHBondContact O-CA 3.12Å; A271-V277 HydrophobicContact CB-CG2 4.17Å; V277-V291 HydrophobicContact CB-CB 4.29Å; V277-V291 HydrophobicContact CG1-CB 4.11Å; V277-V291 HydrophobicContact CG1-CG1 4.44Å; V277-V291 WeakPolarHBondContact O-CA 3.39Å; V277-V291 WeakPolarHBondContact O-CB 3.39Å; V277-V291 PolarHBondContact O-N 2.78Å; V277-G292 PolarHBondContact N-O 3.09Å; V277-G292 PolarHBondContact O-N 3.16Å; V277-I308 HydrophobicContact CG2-CD1 4.16Å; V277-L310 HydrophobicContact CG1-CD1 4.12Å; V277-L310 HydrophobicContact CG1-CD2 4.2Å; V277-L310 HydrophobicContact CG2-CD2 4.02Å; V277-I319 HydrophobicContact CG1-CD1 3.76Å
278	S	93.1	Very high	91.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.5	-176.1	-63	0	0	0	0	111.6	A269 V270 G289	A269-S278 CarbonylContact C-O 3.57Å; A269-S278 WeakPolarHBondContact CA-O 3.35Å; V270-S278 PolarHBondContact N-O 2.78Å; V270-S278 PolarHBondContact O-N 2.89Å; S278-G289 WeakPolarHBondContact CA-O 3.3Å
279	A	94.8	Very high	91	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136	174.2	0	0	0	0	0	110.3	V268 L288 G289 V291 F337	V268-A279 WeakPolarHBondContact O-CA 3.39Å; A279-L288 HydrophobicContact CB-CB 4.26Å; A279-L288 HydrophobicContact CB-CD1 4.43Å; A279-L288 WeakPolarHBondContact O-CB 3.47Å; A279-L288 PolarHBondContact O-N 2.84Å; A279-G289 PolarHBondContact N-O 3.02Å; A279-V291 HydrophobicContact CB-CG2 3.58Å; A279-F337 HydrophobicContact CB-CB 3.86Å; A279-F337 HydrophobicContact CB-CD1 3.75Å; A279-F337 HydrophobicContact CB-CD2 3.73Å; A279-F337 HydrophobicContact CB-CE1 4.15Å; A279-F337 HydrophobicContact CB-CE2 4.16Å; A279-F337 HydrophobicContact CB-CG 3.5Å; A279-F337 VanDerWaalsContact CB-CG 3.5Å; A279-F337 HydrophobicContact CB-CZ 4.33Å
280	M	93.6	Very high	90.7	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.8	179.8	-61.8	-167.8	67	0	0	111.1	I219 F234 I236 I267 V268 V270 R286 L287	I219-M280 HydrophobicContact CD1-SD 3.96Å; F234-M280 HydrophobicContact CD2-CE 3.79Å; F234-M280 HydrophobicContact CE2-CE 3.33Å; F234-M280 HydrophobicContact CE2-SD 4.24Å; F234-M280 HydrophobicContact CZ-CE 4.33Å; I236-M280 HydrophobicContact CD1-SD 3.82Å; I236-M280 HydrophobicContact CG1-SD 4.16Å; I267-M280 WeakPolarHBondContact CA-O 3.45Å; V268-M280 HydrophobicContact CG2-CB 4Å; V268-M280 PolarHBondContact N-O 3.48Å; V268-M280 PolarHBondContact O-N 2.94Å; V270-M280 HydrophobicContact CG2-CG 4.14Å; V270-M280 HydrophobicContact CG2-SD 3.83Å; M280-R286 CarbonylContact C-O 3.53Å; M280-R286 WeakPolarHBondContact CA-O 3.47Å; M280-L287 HydrophobicContact CG-CD1 3.84Å; M280-L287 HydrophobicContact SD-CD1 4.43Å
281	H	92.5	Very high	90.5	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.9	169.6	-174.3	-173.1	0	0	0	108.8	D266 P284 N285 R286 L288 A341 E344 T345	D266-H281 PolarHBondContact O-CD2 3.31Å; H281-P284 WeakPolarHBondContact ND1-CD 3.21Å; H281-N285 CarbonylContact O-C 3.49Å; H281-N285 WeakPolarHBondContact O-CA 3.29Å; H281-N285 PolarHBondContact O-N 3.01Å; H281-R286 PolarHBondContact N-O 2.82Å; H281-R286 PolarHBondContact O-N 2.88Å; H281-L288 HydrophobicContact CB-CD1 4.1Å; H281-L288 HydrophobicContact CB-CD2 3.96Å; H281-L288 HydrophobicContact CB-CG 4.06Å; H281-A341 HydrophobicContact CB-CB 4.35Å; H281-E344 IonicContact CE1-OE2 2.83Å; H281-E344 IonicContact CG-OE2 3.5Å; H281-E344 IonicContact ND1-OE2 3.49Å; H281-E344 PolarHBondContact ND1-OE2 2.81Å; H281-T345 PolarHBondContact CE1-OG1 3.22Å; H281-T345 PolarHBondContact NE2-OG1 3.45Å
282	I	92.8	Very high	90.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	128.6	-179.7	-56.1	-57.8	0	0	0	108.9	V204 K205 L211 F234 D266 V268	V204-I282 HydrophobicContact CG2-CG2 4.08Å; K205-I282 WeakPolarHBondContact CE-O 3.41Å; K205-I282 PolarHBondContact NZ-O 2.84Å; L211-I282 HydrophobicContact CD1-CD1 3.45Å; L211-I282 VanDerWaalsContact CD1-CD1 3.45Å; L211-I282 HydrophobicContact CD1-CG1 3.79Å; L211-I282 HydrophobicContact CD2-CD1 4.23Å; L211-I282 HydrophobicContact CD2-CG2 4.25Å; L211-I282 HydrophobicContact CG-CD1 4.48Å; F234-I282 HydrophobicContact CZ-CD1 4.37Å; D266-I282 PolarHBondContact O-N 2.86Å; V268-I282 HydrophobicContact CG1-CD1 4.46Å; V268-I282 HydrophobicContact CG1-CG1 3.94Å; V268-I282 HydrophobicContact CG2-CD1 3.7Å; V268-I282 HydrophobicContact CG2-CG1 3.97Å
283	I	88.3	Confident	89.9	Confident	18 Å²	18	17.9 Å²	17.9	9%	0.092	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	74.8	-170.9	-56	174.5	0	0	0	108.6	K205 K209 N285 L382 L385	K205-I283 HydrophobicContact CG-CD1 4.29Å; K209-I283 HydrophobicContact CD-CD1 4.41Å; K209-I283 HydrophobicContact CG-CD1 4.06Å; I283-N285 VanDerWaalsContact N-N 3.14Å; I283-N285 PolarHBondContact N-OD1 3.1Å; I283-L382 HydrophobicContact CB-CD2 4.33Å; I283-L382 HydrophobicContact CG2-CD2 3.7Å; I283-L385 HydrophobicContact CG2-CB 4.34Å
284	P	87.8	Confident	89.6	Confident	12 Å²	12	16.9 Å²	16.9	8%	0.078	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	cis	-102.8	13.2	43.3	38.3	-39.5	0	0	0	118.5	H281 R286 L348 M379 L382	H281-P284 WeakPolarHBondContact ND1-CD 3.21Å; P284-R286 HydrophobicContact CG-CB 4.27Å; P284-L348 HydrophobicContact CG-CD1 4.1Å; P284-M379 HydrophobicContact CB-SD 4.35Å; P284-L382 VanDerWaalsContact CA-CD1 3.5Å; P284-L382 HydrophobicContact CB-CD1 3.5Å
285	N	89.4	Confident	89	Confident	8 Å²	8	17.4 Å²	17.4	4%	0.043	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	47.2	-179.4	-55.6	-24.9	0	0	0	112.5	D232 F234 H281 I283 R378	D232-N285 PolarHBondContact OD2-ND2 2.98Å; F234-N285 HydrophobicContact CD1-CB 3.71Å; F234-N285 HydrophobicContact CE1-CB 3.54Å; F234-N285 HydrophobicContact CE2-CB 4.42Å; F234-N285 HydrophobicContact CG-CB 4.22Å; F234-N285 HydrophobicContact CZ-CB 3.93Å; H281-N285 CarbonylContact O-C 3.49Å; H281-N285 WeakPolarHBondContact O-CA 3.29Å; H281-N285 PolarHBondContact O-N 3.01Å; I283-N285 VanDerWaalsContact N-N 3.14Å; I283-N285 PolarHBondContact N-OD1 3.1Å; N285-R378 PolarHBondContact ND2-NH2 3.35Å
286	R	87.4	Confident	87.5	Confident	87 Å²	87	20.8 Å²	20.8	33%	0.328	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.8	-175.4	-164.2	-178.3	-169.4	-139.3	0.4	112.1	M280 H281 P284 L288 E344	M280-R286 CarbonylContact C-O 3.53Å; M280-R286 WeakPolarHBondContact CA-O 3.47Å; H281-R286 PolarHBondContact N-O 2.82Å; H281-R286 PolarHBondContact O-N 2.88Å; P284-R286 HydrophobicContact CG-CB 4.27Å; R286-L288 PolarHBondContact O-N 2.78Å; R286-E344 WeakPolarHBondContact CD-OE1 3.42Å; R286-E344 IonicContact CZ-OE1 2.88Å; R286-E344 IonicContact NE-OE1 3.54Å; R286-E344 IonicContact NH1-OE1 3Å; R286-E344 PolarHBondContact NH1-OE1 2.82Å
287	L	89.5	Confident	85.6	Confident	30 Å²	30	23 Å²	23	16%	0.157	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	115.7	170.1	-174.5	67.3	0	0	0	110.6	H237 L239 M280 L370	H237-L287 WeakPolarHBondContact O-CD2 3.46Å; L239-L287 HydrophobicContact CD1-CD2 4.04Å; L239-L287 HydrophobicContact CG-CD2 3.79Å; M280-L287 HydrophobicContact CG-CD1 3.84Å; M280-L287 HydrophobicContact SD-CD1 4.43Å; L287-L370 HydrophobicContact CB-CD1 4.26Å
288	L	89.8	Confident	83.4	Confident	19 Å²	19	25.4 Å²	25.4	10%	0.099	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-36.1	-179.3	-60.6	173.9	0	0	0	112.1	I267 A279 H281 R286 F337 A341	I267-L288 HydrophobicContact CG2-CD1 4.3Å; A279-L288 HydrophobicContact CB-CB 4.26Å; A279-L288 HydrophobicContact CB-CD1 4.43Å; A279-L288 WeakPolarHBondContact O-CB 3.47Å; A279-L288 PolarHBondContact O-N 2.84Å; H281-L288 HydrophobicContact CB-CD1 4.1Å; H281-L288 HydrophobicContact CB-CD2 3.96Å; H281-L288 HydrophobicContact CB-CG 4.06Å; R286-L288 PolarHBondContact O-N 2.78Å; L288-F337 HydrophobicContact CB-CD1 3.76Å; L288-F337 HydrophobicContact CB-CE1 4.42Å; L288-F337 HydrophobicContact CD1-CB 3.97Å; L288-A341 HydrophobicContact CD1-CB 4.08Å
289	G	88.6	Confident	81.3	Confident	10 Å²	10	30.8 Å²	30.8	10%	0.103	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.5	-177.2	175.4	0	0	0	0	0	114.7	S278 A279	S278-G289 WeakPolarHBondContact CA-O 3.3Å; A279-G289 PolarHBondContact N-O 3.02Å
290	C	90.3	Very high	79.2	Confident	34 Å²	34	37.9 Å²	37.9	23%	0.23	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118	175.2	-176.1	0	0	0	0	110.4	L239 G292 F337	L239-C290 WeakPolarHBondContact O-CB 3.39Å; C290-G292 PolarHBondContact SG-O 2.89Å; C290-F337 WeakPolarHBondContact O-CZ 3.26Å
291	V	92	Very high	77.2	Confident	12 Å²	12	42.3 Å²	42.3	7%	0.073	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-45.1	174.1	177	0	0	0	0	110.2	V277 A279 I319 W332 T334 F337	V277-V291 HydrophobicContact CB-CB 4.29Å; V277-V291 HydrophobicContact CG1-CB 4.11Å; V277-V291 HydrophobicContact CG1-CG1 4.44Å; V277-V291 WeakPolarHBondContact O-CA 3.39Å; V277-V291 WeakPolarHBondContact O-CB 3.39Å; V277-V291 PolarHBondContact O-N 2.78Å; A279-V291 HydrophobicContact CB-CG2 3.58Å; V291-I319 HydrophobicContact CG1-CD1 3.88Å; V291-I319 HydrophobicContact CG1-CG1 4.37Å; V291-W332 HydrophobicContact CG1-CB 3.39Å; V291-W332 HydrophobicContact CG1-CG 3.94Å; V291-T334 HydrophobicContact CG1-CG2 3.89Å; V291-T334 HydrophobicContact CG2-CG2 4.48Å; V291-F337 HydrophobicContact CB-CE2 4.05Å; V291-F337 HydrophobicContact CG1-CE2 4.42Å; V291-F337 HydrophobicContact CG2-CD2 3.95Å; V291-F337 HydrophobicContact CG2-CE2 3.46Å; V291-F337 VanDerWaalsContact CG2-CE2 3.46Å; V291-F337 HydrophobicContact CG2-CZ 4.01Å
292	G	89.4	Confident	75.2	Confident	3 Å²	3	49 Å²	49	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	178.6	-175.2	0	0	0	0	0	112.7	V277 C290	V277-G292 PolarHBondContact N-O 3.09Å; V277-G292 PolarHBondContact O-N 3.16Å; C290-G292 PolarHBondContact SG-O 2.89Å
293	Y	86.8	Confident	73.4	Confident	67 Å²	67	51.9 Å²	51.9	26%	0.263	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	148.2	177.3	57.6	-86.2	0	0	0	112.2	P241 G275 I295 D296 K330 W332	P241-Y293 HydrophobicContact CB-CE1 4.24Å; P241-Y293 HydrophobicContact CG-CD1 3.45Å; P241-Y293 VanDerWaalsContact CG-CD1 3.45Å; P241-Y293 HydrophobicContact CG-CE1 3.33Å; P241-Y293 HydrophobicContact CG-CG 4.24Å; G275-Y293 CarbonylContact O-C 3.59Å; G275-Y293 WeakPolarHBondContact O-CA 3.39Å; Y293-I295 WeakPolarHBondContact CD2-O 3.14Å; Y293-D296 HydrophobicContact CE2-CB 4.2Å; Y293-K330 PolarHBondContact O-NZ 2.97Å; Y293-W332 VanDerWaalsContact N-CH2 3.3Å; Y293-W332 WeakPolarHBondContact O-CH2 3.43Å
294	H	82.5	Confident	72.3	Confident	23 Å²	23	52.8 Å²	52.8	11%	0.106	31%	0.309	C	S	.	.	S	Bend	trans	-87.2	-38.8	173.8	-87.8	-84.1	0	0	0	112.9	G275 S321 K330	G275-H294 PolarHBondContact O-N 2.98Å; H294-S321 PolarHBondContact CD2-OG 3.1Å; H294-S321 PolarHBondContact CE1-O 3.09Å; H294-S321 PolarHBondContact NE2-O 2.78Å; H294-S321 VanDerWaalsContact NE2-O 3.12Å; H294-S321 PolarHBondContact NE2-OG 3.39Å; H294-K330 PolarHBondContact O-NZ 3Å
295	I	70.6	Confident	71.8	Confident	34 Å²	34	52.2 Å²	52.2	17%	0.174	31%	0.306	C	S	.	.	S	Bend	trans	-105.5	126.1	-174.4	-56.6	139.6	0	0	0	110.1	D274 Y293 D301 S303 A305	D274-I295 WeakPolarHBondContact O-CD1 3.4Å; Y293-I295 WeakPolarHBondContact CD2-O 3.14Å; I295-D301 HydrophobicContact CG2-CB 4.38Å; I295-D301 WeakPolarHBondContact CG2-O 3.42Å; I295-S303 WeakPolarHBondContact CD1-O 3.31Å; I295-S303 WeakPolarHBondContact CG1-O 3.13Å; I295-A305 HydrophobicContact CD1-CB 4.11Å
296	D	55.6	Low	71.5	Confident	72 Å²	72	56 Å²	56	39%	0.385	33%	0.325	S	S	.	.			trans	-85.4	113.9	171	-170.6	-6.9	0	0	0	109.3	Y293 A298 N299	Y293-D296 HydrophobicContact CE2-CB 4.2Å; D296-A298 PolarHBondContact O-N 2.87Å; D296-A298 WeakPolarHBondContact OD1-CB 3.33Å; D296-A298 PolarHBondContact OD1-N 3.33Å; D296-N299 PolarHBondContact O-N 2.95Å
297	A	48.8	Very low	71.5	Confident	53 Å²	53	55 Å²	55	44%	0.438	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-56.3	-13.8	176.5	0	0	0	0	0	113.6	N299 N300	A297-N299 PolarHBondContact O-N 2.87Å; A297-N300 PolarHBondContact O-N 3.49Å
298	A	48	Very low	71.7	Confident	49 Å²	49	53.7 Å²	53.7	41%	0.405	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-59.5	-25.4	175.4	0	0	0	0	0	114.5	K243 D296	K243-A298 VanDerWaalsContact NZ-CB 3.35Å; D296-A298 PolarHBondContact O-N 2.87Å; D296-A298 WeakPolarHBondContact OD1-CB 3.33Å; D296-A298 PolarHBondContact OD1-N 3.33Å
299	N	48.7	Very low	71.9	Confident	114 Å²	114	53.8 Å²	53.8	61%	0.61	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-98.4	3.4	-176.2	-73.8	-6.4	0	0	0	114.5	D296 A297 D301	D296-N299 PolarHBondContact O-N 2.95Å; A297-N299 PolarHBondContact O-N 2.87Å; N299-D301 HydrophobicContact CB-CB 4.49Å; N299-D301 VanDerWaalsContact CB-OD2 3.3Å; N299-D301 WeakPolarHBondContact CB-OD2 3.46Å; N299-D301 PolarHBondContact O-N 2.69Å
300	N	51.2	Low	72.3	Confident	149 Å²	149	53.6 Å²	53.6	80%	0.797	32%	0.323	S	S	*	.			trans	52.9	18	-171.3	-85.3	-7.2	0	0	0	113.7	A297 T302	A297-N300 PolarHBondContact O-N 3.49Å; N300-T302 PolarHBondContact O-N 2.73Å
301	D	52	Low	72.6	Confident	93 Å²	93	52.3 Å²	52.3	50%	0.497	31%	0.314	S	S	.	.			trans	-68	107.7	177	-73	-33.5	0	0	0	108.3	I295 N299 S303	I295-D301 HydrophobicContact CG2-CB 4.38Å; I295-D301 WeakPolarHBondContact CG2-O 3.42Å; N299-D301 HydrophobicContact CB-CB 4.49Å; N299-D301 VanDerWaalsContact CB-OD2 3.3Å; N299-D301 WeakPolarHBondContact CB-OD2 3.46Å; N299-D301 PolarHBondContact O-N 2.69Å; D301-S303 PolarHBondContact O-N 2.93Å
302	T	49.7	Very low	72.9	Confident	143 Å²	143	54 Å²	54	88%	0.877	32%	0.324	S	S	*	.			trans	-79.4	16.1	172.7	41.2	0	0	0	0	112.2	N300 G304	N300-T302 PolarHBondContact O-N 2.73Å; T302-G304 VanDerWaalsContact C-N 3.26Å; T302-G304 PolarHBondContact O-N 2.83Å
303	S	54.3	Low	73.2	Confident	60 Å²	60	54.2 Å²	54.2	42%	0.42	32%	0.324	S	S	.	.			trans	-67.6	89	176.4	56.1	0	0	0	0	108.6	I295 D301	I295-S303 WeakPolarHBondContact CD1-O 3.31Å; I295-S303 WeakPolarHBondContact CG1-O 3.13Å; D301-S303 PolarHBondContact O-N 2.93Å
304	G	65	Low	73.4	Confident	37 Å²	37	53.8 Å²	53.8	38%	0.381	33%	0.33	S	S	.	.			trans	-50.7	145.4	173.4	0	0	0	0	0	111.2	D273 T302 D306	D273-G304 CarbonylContact O-C 3.41Å; D273-G304 WeakPolarHBondContact O-CA 3.05Å; T302-G304 VanDerWaalsContact C-N 3.26Å; T302-G304 PolarHBondContact O-N 2.83Å; G304-D306 PolarHBondContact O-N 2.99Å
305	A	78.1	Confident	73.8	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	35%	0.353	C	S	.	.			trans	-92.4	48.9	169	0	0	0	0	0	109.8	D273 I295 C307 I308 C323	D273-A305 CarbonylContact O-C 3.53Å; D273-A305 PolarHBondContact O-N 2.99Å; I295-A305 HydrophobicContact CD1-CB 4.11Å; A305-C307 PolarHBondContact O-N 3.28Å; A305-I308 HydrophobicContact CB-CB 4.13Å; A305-I308 HydrophobicContact CB-CD1 4.41Å; A305-I308 VanDerWaalsContact O-CB 3.29Å; A305-I308 WeakPolarHBondContact O-CB 3.12Å; A305-I308 WeakPolarHBondContact O-CG2 3.36Å; A305-I308 PolarHBondContact O-N 3.13Å; A305-C323 HydrophobicContact CB-CB 4.14Å
306	D	84	Confident	74.8	Confident	86 Å²	86	60.4 Å²	60.4	46%	0.46	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	139.2	172.3	-174.9	19.6	0	0	0	109.5	R199 G304 I308 P324	R199-D306 IonicContact NH2-OD1 2.64Å; R199-D306 PolarHBondContact NH2-OD1 2.64Å; G304-D306 PolarHBondContact O-N 2.99Å; D306-I308 PolarHBondContact O-N 2.98Å; D306-P324 WeakPolarHBondContact O-CD 3.48Å
307	C	87.7	Confident	76.6	Confident	66 Å²	66	59.5 Å²	59.5	45%	0.446	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	28.7	-173.3	-56	0	0	0	0	114.2	E258 A305 T309 P324	E258-C307 VanDerWaalsContact OE2-CA 3.26Å; E258-C307 WeakPolarHBondContact OE2-CA 3.4Å; E258-C307 PolarHBondContact OE2-N 2.95Å; A305-C307 PolarHBondContact O-N 3.28Å; C307-T309 PolarHBondContact O-N 3.46Å; C307-P324 HydrophobicContact CB-CG 4.03Å
308	I	92.7	Very high	78.9	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.015	34%	0.344	C	S	.	.			trans	-56.8	132.7	168.4	-176.4	168.4	0	0	0	109.5	E258 A271 V277 A305 D306 T322 C323	E258-I308 HydrophobicContact CB-CG2 3.47Å; E258-I308 VanDerWaalsContact CB-CG2 3.47Å; E258-I308 HydrophobicContact CG-CG2 3.82Å; A271-I308 HydrophobicContact CB-CB 4.48Å; A271-I308 HydrophobicContact CB-CD1 4.11Å; A271-I308 HydrophobicContact CB-CG1 4.1Å; A271-I308 HydrophobicContact CB-CG2 3.61Å; V277-I308 HydrophobicContact CG2-CD1 4.16Å; A305-I308 HydrophobicContact CB-CB 4.13Å; A305-I308 HydrophobicContact CB-CD1 4.41Å; A305-I308 VanDerWaalsContact O-CB 3.29Å; A305-I308 WeakPolarHBondContact O-CB 3.12Å; A305-I308 WeakPolarHBondContact O-CG2 3.36Å; A305-I308 PolarHBondContact O-N 3.13Å; D306-I308 PolarHBondContact O-N 2.98Å; I308-T322 CarbonylContact C-O 3.58Å; I308-T322 WeakPolarHBondContact CA-O 3.47Å; I308-T322 WeakPolarHBondContact CG1-O 3.26Å; I308-C323 HydrophobicContact CB-CB 4.26Å; I308-C323 HydrophobicContact CG1-CB 4.48Å
309	T	94.9	Very high	81.2	Confident	21 Å²	21	55.3 Å²	55.3	13%	0.129	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.7	-177.8	-173.8	0	0	0	0	110.6	C307 S321 T322	C307-T309 PolarHBondContact O-N 3.46Å; T309-S321 WeakPolarHBondContact O-CA 3.48Å; T309-T322 WeakPolarHBondContact CG2-OG1 3.25Å; T309-T322 PolarHBondContact N-O 3.42Å; T309-T322 PolarHBondContact O-N 2.91Å
310	L	97.1	Very high	83.4	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.3	-175.4	-60.7	-179.5	0	0	0	109.7	K259 V261 A269 A271 V277 A320	K259-L310 HydrophobicContact CB-CG 4.37Å; K259-L310 HydrophobicContact CG-CB 4.18Å; K259-L310 HydrophobicContact CG-CG 4.34Å; V261-L310 HydrophobicContact CB-CB 4.35Å; V261-L310 HydrophobicContact CG1-CB 3.64Å; V261-L310 HydrophobicContact CG1-CD1 4.47Å; V261-L310 HydrophobicContact CG2-CB 3.77Å; V261-L310 HydrophobicContact CG2-CD1 3.66Å; V261-L310 HydrophobicContact CG2-CG 4.38Å; A269-L310 HydrophobicContact CB-CD1 4.04Å; A271-L310 HydrophobicContact CB-CD1 3.81Å; A271-L310 HydrophobicContact CB-CD2 4.16Å; A271-L310 HydrophobicContact CB-CG 3.91Å; V277-L310 HydrophobicContact CG1-CD1 4.12Å; V277-L310 HydrophobicContact CG1-CD2 4.2Å; V277-L310 HydrophobicContact CG2-CD2 4.02Å; L310-A320 CarbonylContact C-O 3.54Å; L310-A320 VanDerWaalsContact CA-O 3.28Å; L310-A320 WeakPolarHBondContact CA-O 3.1Å
311	S	96.6	Very high	85.5	Confident	6 Å²	6	42.8 Å²	42.8	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	137	171.2	-48.4	0	0	0	0	109.2	T19 I319 A320	T19-S311 WeakPolarHBondContact CB-OG 3.26Å; T19-S311 PolarHBondContact O-OG 2.88Å; T19-S311 PolarHBondContact OG1-OG 3.01Å; S311-I319 CarbonylContact O-C 3.59Å; S311-I319 WeakPolarHBondContact O-CA 3.2Å; S311-A320 PolarHBondContact N-O 2.9Å; S311-A320 PolarHBondContact O-N 2.76Å
312	V	96.4	Very high	87.5	Confident	48 Å²	48	38.3 Å²	38.3	29%	0.291	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132	-178	-173.9	0	0	0	0	108.9	F21 V261 I319	F21-V312 WeakPolarHBondContact CD2-O 3.35Å; V261-V312 HydrophobicContact CB-CG2 3.75Å; V261-V312 HydrophobicContact CG1-CG2 4.48Å; V261-V312 HydrophobicContact CG2-CG2 3.77Å; V312-I319 HydrophobicContact CG2-CG2 4.23Å
313	H	95.7	Very high	89.4	Confident	7 Å²	7	31.6 Å²	31.6	3%	0.032	19%	0.193	C	C	.	.			trans	-67.3	140.4	175.5	-176.8	-87	0	0	0	110.1	F21 I28 Y44 T315 E316 I318	F21-H313 HydrophobicContact CE2-CB 4.45Å; I28-H313 WeakPolarHBondContact CD1-CE1 3.17Å; I28-H313 VanDerWaalsContact CD1-NE2 3.26Å; I28-H313 WeakPolarHBondContact CD1-NE2 3.48Å; Y44-H313 AromaticContact CD1-CD2 3.83Å; Y44-H313 AromaticContact CD1-NE2 3.46Å; Y44-H313 WeakPolarHBondContact CD1-NE2 3.44Å; Y44-H313 AromaticContact CE1-CD2 3.71Å; Y44-H313 AromaticContact CE1-NE2 3.46Å; Y44-H313 WeakPolarHBondContact CE1-NE2 3.46Å; H313-T315 VanDerWaalsContact C-N 3.32Å; H313-T315 PolarHBondContact CE1-OG1 3.37Å; H313-T315 PolarHBondContact ND1-N 3.12Å; H313-T315 PolarHBondContact O-N 3.07Å; H313-E316 WeakPolarHBondContact ND1-CB 3.21Å; H313-E316 PolarHBondContact ND1-N 2.81Å; H313-I318 HydrophobicContact CB-CB 3.88Å; H313-I318 WeakPolarHBondContact CB-O 3.28Å; H313-I318 PolarHBondContact N-O 2.78Å
314	P	92.4	Very high	91	Very high	59 Å²	59	30.8 Å²	30.8	38%	0.383	19%	0.186	S	C	.	.	S	Bend	trans	-73.9	-17.1	-165.4	26.4	-35.5	0	0	0	115	I28	I28-P314 HydrophobicContact CD1-CG 4.41Å; I28-P314 HydrophobicContact CG2-CG 3.93Å
315	T	90.8	Very high	91.9	Very high	96 Å²	96	33.4 Å²	33.4	59%	0.589	20%	0.195	S	C	*	.	S	Bend	trans	-130.3	-48.6	-174	54.8	0	0	0	0	112.9	H313	H313-T315 VanDerWaalsContact C-N 3.32Å; H313-T315 PolarHBondContact CE1-OG1 3.37Å; H313-T315 PolarHBondContact ND1-N 3.12Å; H313-T315 PolarHBondContact O-N 3.07Å
316	E	92.1	Very high	92.2	Very high	99 Å²	99	34.5 Å²	34.5	46%	0.463	20%	0.203	S	C	.	.	S	Bend	trans	-85.6	154.6	175.9	-56.7	179.6	178.5	0	0	112.8	H313 I318	H313-E316 WeakPolarHBondContact ND1-CB 3.21Å; H313-E316 PolarHBondContact ND1-N 2.81Å; E316-I318 HydrophobicContact CB-CD1 4.18Å; E316-I318 HydrophobicContact CB-CG1 4.12Å; E316-I318 PolarHBondContact O-N 2.76Å; E316-I318 WeakPolarHBondContact OE2-CD1 3.4Å
317	N	93.4	Very high	92.3	Very high	53 Å²	53	32.8 Å²	32.8	28%	0.283	20%	0.198	S	C	.	.	S	Bend	trans	-74.4	56.6	175.2	-66.7	-35.3	0	0	0	111.7	T334	N317-T334 PolarHBondContact O-N 3.4Å; N317-T334 PolarHBondContact O-OG1 2.86Å
318	I	95.1	Very high	92.2	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.072	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.3	179.9	-62.1	178.9	0	0	0	108.8	Y44 H313 E316 F331 W332	Y44-I318 VanDerWaalsContact OH-CD1 3.26Å; Y44-I318 WeakPolarHBondContact OH-CD1 3.45Å; H313-I318 HydrophobicContact CB-CB 3.88Å; H313-I318 WeakPolarHBondContact CB-O 3.28Å; H313-I318 PolarHBondContact N-O 2.78Å; E316-I318 HydrophobicContact CB-CD1 4.18Å; E316-I318 HydrophobicContact CB-CG1 4.12Å; E316-I318 PolarHBondContact O-N 2.76Å; E316-I318 WeakPolarHBondContact OE2-CD1 3.4Å; I318-F331 HydrophobicContact CG2-CB 4.07Å; I318-W332 VanDerWaalsContact CA-O 3.31Å; I318-W332 WeakPolarHBondContact CA-O 3.26Å
319	I	96.7	Very high	92.2	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.7	169.9	64.7	176	0	0	0	109.5	I263 A269 V277 V291 S311 V312 F331 W332 T334	I263-I319 HydrophobicContact CG1-CG2 4.18Å; A269-I319 HydrophobicContact CB-CD1 3.6Å; V277-I319 HydrophobicContact CG1-CD1 3.76Å; V291-I319 HydrophobicContact CG1-CD1 3.88Å; V291-I319 HydrophobicContact CG1-CG1 4.37Å; S311-I319 CarbonylContact O-C 3.59Å; S311-I319 WeakPolarHBondContact O-CA 3.2Å; V312-I319 HydrophobicContact CG2-CG2 4.23Å; I319-F331 CarbonylContact O-C 3.57Å; I319-F331 WeakPolarHBondContact O-CA 3.39Å; I319-W332 HydrophobicContact CG1-CB 3.89Å; I319-W332 HydrophobicContact CG1-CG 4.33Å; I319-W332 PolarHBondContact N-O 3.38Å; I319-W332 PolarHBondContact O-N 3.44Å; I319-T334 HydrophobicContact CD1-CG2 4.13Å; I319-T334 HydrophobicContact CG1-CG2 4.05Å; I319-T334 HydrophobicContact CG2-CG2 4.31Å
320	A	95.8	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	135.6	166.9	0	0	0	0	0	108.8	F21 L310 S311 I329 K330 F331	F21-A320 HydrophobicContact CE2-CB 3.61Å; F21-A320 HydrophobicContact CZ-CB 4.02Å; L310-A320 CarbonylContact C-O 3.54Å; L310-A320 VanDerWaalsContact CA-O 3.28Å; L310-A320 WeakPolarHBondContact CA-O 3.1Å; S311-A320 PolarHBondContact N-O 2.9Å; S311-A320 PolarHBondContact O-N 2.76Å; A320-I329 HydrophobicContact CB-CG2 3.97Å; A320-K330 CarbonylContact C-O 3.58Å; A320-K330 WeakPolarHBondContact CA-O 3.36Å; A320-F331 HydrophobicContact CB-CD1 3.77Å; A320-F331 HydrophobicContact CB-CE1 3.76Å
321	S	95.2	Very high	92	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.2	171.6	73.5	0	0	0	0	111.4	H294 T309 K330 W332	H294-S321 PolarHBondContact CD2-OG 3.1Å; H294-S321 PolarHBondContact CE1-O 3.09Å; H294-S321 PolarHBondContact NE2-O 2.78Å; H294-S321 VanDerWaalsContact NE2-O 3.12Å; H294-S321 PolarHBondContact NE2-OG 3.39Å; T309-S321 WeakPolarHBondContact O-CA 3.48Å; S321-K330 PolarHBondContact N-O 3.19Å; S321-K330 PolarHBondContact O-N 3.43Å; S321-K330 VanDerWaalsContact O-N 3.07Å; S321-W332 PolarHBondContact OG-NE1 3.42Å
322	T	93.2	Very high	91.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.8	-179	67.9	0	0	0	0	110.6	I16 T19 I308 T309 I329	I16-T322 HydrophobicContact CD1-CG2 4.3Å; I16-T322 HydrophobicContact CG2-CG2 3.95Å; T19-T322 HydrophobicContact CG2-CG2 3.64Å; I308-T322 CarbonylContact C-O 3.58Å; I308-T322 WeakPolarHBondContact CA-O 3.47Å; I308-T322 WeakPolarHBondContact CG1-O 3.26Å; T309-T322 WeakPolarHBondContact CG2-OG1 3.25Å; T309-T322 PolarHBondContact N-O 3.42Å; T309-T322 PolarHBondContact O-N 2.91Å; T322-I329 HydrophobicContact CG2-CB 3.93Å; T322-I329 HydrophobicContact CG2-CD1 4.28Å; T322-I329 HydrophobicContact CG2-CG1 3.63Å; T322-I329 HydrophobicContact CG2-CG2 3.67Å
323	C	89.9	Confident	91.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	19%	0.19	C	C	.	.			trans	-138.9	154	173.1	60.6	0	0	0	0	110.6	I16 A305 I308 T325 S326	I16-C323 CarbonylContact O-C 3.6Å; A305-C323 HydrophobicContact CB-CB 4.14Å; I308-C323 HydrophobicContact CB-CB 4.26Å; I308-C323 HydrophobicContact CG1-CB 4.48Å; C323-T325 PolarHBondContact O-N 3.13Å; C323-T325 PolarHBondContact SG-OG1 3.13Å; C323-T325 VanDerWaalsContact SG-OG1 3.39Å; C323-S326 PolarHBondContact O-N 3.23Å; C323-S326 VanDerWaalsContact O-N 3.09Å; C323-S326 WeakPolarHBondContact SG-CB 3.01Å
324	P	88.4	Confident	91.7	Very high	42 Å²	42	32.9 Å²	32.9	27%	0.273	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.7	179.8	-26	35.8	0	0	0	114.3	G15 I16 D306 C307 S326	G15-P324 WeakPolarHBondContact CA-O 3.41Å; I16-P324 VanDerWaalsContact O-CA 3.27Å; I16-P324 WeakPolarHBondContact O-CA 3.31Å; I16-P324 VanDerWaalsContact O-N 3.11Å; D306-P324 WeakPolarHBondContact O-CD 3.48Å; C307-P324 HydrophobicContact CB-CG 4.03Å; P324-S326 VanDerWaalsContact C-N 3.3Å
325	T	84.5	Confident	91.8	Very high	93 Å²	93	32.4 Å²	32.4	57%	0.571	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.6	179.3	52.6	0	0	0	0	113.2	C323	C323-T325 PolarHBondContact O-N 3.13Å; C323-T325 PolarHBondContact SG-OG1 3.13Å; C323-T325 VanDerWaalsContact SG-OG1 3.39Å
326	S	84.6	Confident	91.9	Very high	22 Å²	22	33.7 Å²	33.7	15%	0.154	18%	0.184	C	C	.	.			trans	-116.4	144.9	-179.1	-177.6	0	0	0	0	111.4	C323 P324 S328	C323-S326 PolarHBondContact O-N 3.23Å; C323-S326 VanDerWaalsContact O-N 3.09Å; C323-S326 WeakPolarHBondContact SG-CB 3.01Å; P324-S326 VanDerWaalsContact C-N 3.3Å; S326-S328 VanDerWaalsContact C-N 3.35Å; S326-S328 PolarHBondContact OG-N 3.25Å; S326-S328 VanDerWaalsContact OG-N 3.1Å; S326-S328 PolarHBondContact OG-O 2.86Å; S326-S328 PolarHBondContact OG-OG 3.27Å
327	S	84.4	Confident	92	Very high	51 Å²	51	29.5 Å²	29.5	36%	0.357	16%	0.164	S	C	.	.	S	Bend	trans	-96.9	9.1	170.1	54.9	0	0	0	0	112.5	L9	L9-S327 WeakPolarHBondContact CB-O 3.26Å; L9-S327 WeakPolarHBondContact CG-O 3.4Å; L9-S327 PolarHBondContact N-O 2.87Å
328	S	87.1	Confident	91.9	Very high	11 Å²	11	27.7 Å²	27.7	8%	0.077	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.3	-178.3	65.9	0	0	0	0	111.9	Q6 L7 D8 S326	Q6-S328 PolarHBondContact NE2-OG 3.01Å; L7-S328 WeakPolarHBondContact O-CA 3.38Å; D8-S328 WeakPolarHBondContact OD1-CB 3.24Å; S326-S328 VanDerWaalsContact C-N 3.35Å; S326-S328 PolarHBondContact OG-N 3.25Å; S326-S328 VanDerWaalsContact OG-N 3.1Å; S326-S328 PolarHBondContact OG-O 2.86Å; S326-S328 PolarHBondContact OG-OG 3.27Å
329	I	91.8	Very high	91.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.4	171.3	-51.8	-179.1	0	0	0	107	Q6 L7 I16 T19 L30 V32 A320 T322 F331	Q6-I329 CarbonylContact C-O 3.56Å; Q6-I329 VanDerWaalsContact CA-O 3.28Å; Q6-I329 WeakPolarHBondContact CA-O 3.19Å; Q6-I329 WeakPolarHBondContact CG-O 3.26Å; L7-I329 HydrophobicContact CB-CB 4.27Å; L7-I329 HydrophobicContact CD2-CD1 4.28Å; L7-I329 PolarHBondContact N-O 2.91Å; L7-I329 PolarHBondContact O-N 2.78Å; I16-I329 HydrophobicContact CD1-CD1 4.06Å; I16-I329 HydrophobicContact CD1-CG1 3.4Å; I16-I329 VanDerWaalsContact CD1-CG1 3.4Å; T19-I329 HydrophobicContact CG2-CD1 4.15Å; L30-I329 HydrophobicContact CD2-CD1 4.06Å; L30-I329 HydrophobicContact CD2-CG2 4.48Å; V32-I329 HydrophobicContact CB-CD1 4.32Å; V32-I329 HydrophobicContact CG1-CD1 3.92Å; V32-I329 HydrophobicContact CG2-CD1 3.4Å; V32-I329 VanDerWaalsContact CG2-CD1 3.4Å; A320-I329 HydrophobicContact CB-CG2 3.97Å; T322-I329 HydrophobicContact CG2-CB 3.93Å; T322-I329 HydrophobicContact CG2-CD1 4.28Å; T322-I329 HydrophobicContact CG2-CG1 3.63Å; T322-I329 HydrophobicContact CG2-CG2 3.67Å; I329-F331 HydrophobicContact CB-CZ 4.4Å; I329-F331 HydrophobicContact CG2-CE1 3.85Å; I329-F331 HydrophobicContact CG2-CE2 4.36Å; I329-F331 HydrophobicContact CG2-CZ 3.76Å
330	K	92.6	Very high	91.5	Very high	21 Å²	21	36.6 Å²	36.6	9%	0.091	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136	177	-62.8	-175.6	-176.4	-174.2	0	109.8	M1 Q6 Y293 H294 A320 S321 W332	M1-K330 HydrophobicContact CE-CD 4.33Å; M1-K330 HydrophobicContact SD-CD 4.36Å; Q6-K330 HydrophobicContact CG-CG 4.31Å; Y293-K330 PolarHBondContact O-NZ 2.97Å; H294-K330 PolarHBondContact O-NZ 3Å; A320-K330 CarbonylContact C-O 3.58Å; A320-K330 WeakPolarHBondContact CA-O 3.36Å; S321-K330 PolarHBondContact N-O 3.19Å; S321-K330 PolarHBondContact O-N 3.43Å; S321-K330 VanDerWaalsContact O-N 3.07Å; K330-W332 HydrophobicContact CB-CH2 4.24Å; K330-W332 HydrophobicContact CB-CZ2 3.41Å; K330-W332 VanDerWaalsContact CB-CZ2 3.41Å; K330-W332 HydrophobicContact CD-CH2 3.76Å; K330-W332 HydrophobicContact CD-CZ2 3.42Å; K330-W332 VanDerWaalsContact CD-CZ2 3.42Å; K330-W332 HydrophobicContact CG-CZ2 4.05Å; K330-W332 PolarHBondContact O-NE1 3.13Å
331	F	94.9	Very high	91.1	Very high	10 Å²	10	36.7 Å²	36.7	4%	0.044	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.7	177.8	-55.7	-74.7	0	0	0	109.7	D5 L7 F21 L30 Y44 I318 I319 A320 I329	D5-F331 PolarHBondContact O-N 3.28Å; L7-F331 HydrophobicContact CB-CE2 3.81Å; L7-F331 HydrophobicContact CB-CZ 4.18Å; F21-F331 HydrophobicContact CZ-CD1 4.27Å; F21-F331 AromaticContact CZ-CE1 3.88Å; F21-F331 HydrophobicContact CZ-CE1 3.88Å; L30-F331 HydrophobicContact CD2-CE1 3.84Å; L30-F331 HydrophobicContact CD2-CZ 3.69Å; Y44-F331 HydrophobicContact CD2-CE1 4.1Å; Y44-F331 HydrophobicContact CD2-CZ 4.33Å; Y44-F331 AromaticContact CE2-CD1 3.78Å; Y44-F331 HydrophobicContact CE2-CD1 3.78Å; Y44-F331 AromaticContact CE2-CE1 3.78Å; Y44-F331 HydrophobicContact CE2-CE1 3.78Å; Y44-F331 HydrophobicContact CE2-CG 4.17Å; Y44-F331 HydrophobicContact CE2-CZ 4.16Å; I318-F331 HydrophobicContact CG2-CB 4.07Å; I319-F331 CarbonylContact O-C 3.57Å; I319-F331 WeakPolarHBondContact O-CA 3.39Å; A320-F331 HydrophobicContact CB-CD1 3.77Å; A320-F331 HydrophobicContact CB-CE1 3.76Å; I329-F331 HydrophobicContact CB-CZ 4.4Å; I329-F331 HydrophobicContact CG2-CE1 3.85Å; I329-F331 HydrophobicContact CG2-CE2 4.36Å; I329-F331 HydrophobicContact CG2-CZ 3.76Å
332	W	94.6	Very high	90.9	Very high	22 Å²	22	42.6 Å²	42.6	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121	-174.4	-45.6	94.2	0	0	0	110.7	M1 V291 Y293 I318 I319 S321 K330	M1-W332 HydrophobicContact CE-CH2 3.43Å; M1-W332 VanDerWaalsContact CE-CH2 3.43Å; M1-W332 HydrophobicContact CE-CZ3 3.57Å; M1-W332 HydrophobicContact SD-CH2 4.4Å; M1-W332 HydrophobicContact SD-CZ3 4.49Å; V291-W332 HydrophobicContact CG1-CB 3.39Å; V291-W332 HydrophobicContact CG1-CG 3.94Å; Y293-W332 VanDerWaalsContact N-CH2 3.3Å; Y293-W332 WeakPolarHBondContact O-CH2 3.43Å; I318-W332 VanDerWaalsContact CA-O 3.31Å; I318-W332 WeakPolarHBondContact CA-O 3.26Å; I319-W332 HydrophobicContact CG1-CB 3.89Å; I319-W332 HydrophobicContact CG1-CG 4.33Å; I319-W332 PolarHBondContact N-O 3.38Å; I319-W332 PolarHBondContact O-N 3.44Å; S321-W332 PolarHBondContact OG-NE1 3.42Å; K330-W332 HydrophobicContact CB-CH2 4.24Å; K330-W332 HydrophobicContact CB-CZ2 3.41Å; K330-W332 VanDerWaalsContact CB-CZ2 3.41Å; K330-W332 HydrophobicContact CD-CH2 3.76Å; K330-W332 HydrophobicContact CD-CZ2 3.42Å; K330-W332 VanDerWaalsContact CD-CZ2 3.42Å; K330-W332 HydrophobicContact CG-CZ2 4.05Å; K330-W332 PolarHBondContact O-NE1 3.13Å
333	N	94.3	Very high	90.7	Very high	96 Å²	96	47.1 Å²	47.1	51%	0.513	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.3	171.1	-171.8	-49.1	0	0	0	110.1	S335	N333-S335 VanDerWaalsContact OD1-CB 3.26Å; N333-S335 WeakPolarHBondContact OD1-CB 3.38Å; N333-S335 PolarHBondContact OD1-N 2.96Å; N333-S335 PolarHBondContact OD1-OG 2.97Å
334	T	94.3	Very high	90.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.			trans	-110.4	0.9	-176.6	62.4	0	0	0	0	113.6	I263 V291 N317 I319 K336 F337 V338	I263-T334 HydrophobicContact CD1-CG2 3.8Å; V291-T334 HydrophobicContact CG1-CG2 3.89Å; V291-T334 HydrophobicContact CG2-CG2 4.48Å; N317-T334 PolarHBondContact O-N 3.4Å; N317-T334 PolarHBondContact O-OG1 2.86Å; I319-T334 HydrophobicContact CD1-CG2 4.13Å; I319-T334 HydrophobicContact CG1-CG2 4.05Å; I319-T334 HydrophobicContact CG2-CG2 4.31Å; T334-K336 VanDerWaalsContact C-N 3.25Å; T334-K336 PolarHBondContact O-N 2.85Å; T334-K336 VanDerWaalsContact O-N 3.16Å; T334-F337 WeakPolarHBondContact O-CB 3.43Å; T334-F337 PolarHBondContact O-N 2.86Å; T334-V338 PolarHBondContact O-N 2.81Å
335	S	93.9	Very high	90.3	Very high	48 Å²	48	46.2 Å²	46.2	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-54.7	-38.6	-177.9	-62	0	0	0	0	113.2	N333 F337 V338 E339	N333-S335 VanDerWaalsContact OD1-CB 3.26Å; N333-S335 WeakPolarHBondContact OD1-CB 3.38Å; N333-S335 PolarHBondContact OD1-N 2.96Å; N333-S335 PolarHBondContact OD1-OG 2.97Å; S335-F337 PolarHBondContact O-N 2.79Å; S335-V338 WeakPolarHBondContact O-CB 3.32Å; S335-V338 PolarHBondContact O-N 3.07Å; S335-V338 VanDerWaalsContact O-N 3.09Å; S335-E339 PolarHBondContact O-N 2.94Å
336	K	93.9	Very high	90.4	Very high	123 Å²	123	44.2 Å²	44.2	54%	0.535	24%	0.235	S	C	.	.	H	α-helix	trans	-59.6	-30	177.1	69.9	-176.5	-176.4	-175.7	0	113.4	T334 H340	T334-K336 VanDerWaalsContact C-N 3.25Å; T334-K336 PolarHBondContact O-N 2.85Å; T334-K336 VanDerWaalsContact O-N 3.16Å; K336-H340 WeakPolarHBondContact O-CB 3.46Å; K336-H340 PolarHBondContact O-N 3.17Å
337	F	93.3	Very high	90.4	Very high	11 Å²	11	45.1 Å²	45.1	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-81.8	-33.1	177.9	-59.7	-67.8	0	0	0	111.3	A279 L288 C290 V291 T334 S335 H340 A341	A279-F337 HydrophobicContact CB-CB 3.86Å; A279-F337 HydrophobicContact CB-CD1 3.75Å; A279-F337 HydrophobicContact CB-CD2 3.73Å; A279-F337 HydrophobicContact CB-CE1 4.15Å; A279-F337 HydrophobicContact CB-CE2 4.16Å; A279-F337 HydrophobicContact CB-CG 3.5Å; A279-F337 VanDerWaalsContact CB-CG 3.5Å; A279-F337 HydrophobicContact CB-CZ 4.33Å; L288-F337 HydrophobicContact CB-CD1 3.76Å; L288-F337 HydrophobicContact CB-CE1 4.42Å; L288-F337 HydrophobicContact CD1-CB 3.97Å; C290-F337 WeakPolarHBondContact O-CZ 3.26Å; V291-F337 HydrophobicContact CB-CE2 4.05Å; V291-F337 HydrophobicContact CG1-CE2 4.42Å; V291-F337 HydrophobicContact CG2-CD2 3.95Å; V291-F337 HydrophobicContact CG2-CE2 3.46Å; V291-F337 VanDerWaalsContact CG2-CE2 3.46Å; V291-F337 HydrophobicContact CG2-CZ 4.01Å; T334-F337 WeakPolarHBondContact O-CB 3.43Å; T334-F337 PolarHBondContact O-N 2.86Å; S335-F337 PolarHBondContact O-N 2.79Å; F337-H340 PolarHBondContact O-N 3.19Å; F337-A341 WeakPolarHBondContact O-CB 3.46Å; F337-A341 PolarHBondContact O-N 2.73Å
338	V	92.5	Very high	90.2	Very high	16 Å²	16	43.3 Å²	43.3	10%	0.097	22%	0.223	C	C	.	.	H	α-helix	trans	-59	-54	171.7	-176.3	0	0	0	0	110.4	I263 T264 I267 T334 S335 H340 A341 E342	I263-V338 HydrophobicContact CG2-CG2 4.39Å; T264-V338 HydrophobicContact CG2-CG1 4.37Å; T264-V338 HydrophobicContact CG2-CG2 4.12Å; I267-V338 VanDerWaalsContact CD1-CA 3.43Å; I267-V338 HydrophobicContact CD1-CB 4.13Å; I267-V338 HydrophobicContact CD1-CG1 4.35Å; I267-V338 HydrophobicContact CD1-CG2 4.03Å; T334-V338 PolarHBondContact O-N 2.81Å; S335-V338 WeakPolarHBondContact O-CB 3.32Å; S335-V338 PolarHBondContact O-N 3.07Å; S335-V338 VanDerWaalsContact O-N 3.09Å; V338-H340 VanDerWaalsContact C-N 3.31Å; V338-H340 PolarHBondContact O-N 3.08Å; V338-A341 PolarHBondContact O-N 3.25Å; V338-E342 WeakPolarHBondContact O-CG 3.32Å; V338-E342 PolarHBondContact O-N 3.39Å
339	E	92.2	Very high	90	Very high	124 Å²	124	49.5 Å²	49.5	58%	0.579	25%	0.245	S	C	*	.	H	α-helix	trans	-59	-41.5	177.5	-173.5	-175.4	176.5	0	0	112.1	S335 E342 N343	S335-E339 PolarHBondContact O-N 2.94Å; E339-E342 PolarHBondContact O-N 3.08Å; E339-N343 WeakPolarHBondContact O-CB 3.33Å; E339-N343 VanDerWaalsContact O-CG 3.26Å; E339-N343 PolarHBondContact O-N 2.88Å; E339-N343 PolarHBondContact O-ND2 3.33Å
340	H	89.7	Confident	89.6	Confident	76 Å²	76	52.9 Å²	52.9	35%	0.352	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-42.7	177.7	-176	-165	0	0	0	112.3	K336 F337 V338 N343 E344	K336-H340 WeakPolarHBondContact O-CB 3.46Å; K336-H340 PolarHBondContact O-N 3.17Å; F337-H340 PolarHBondContact O-N 3.19Å; V338-H340 VanDerWaalsContact C-N 3.31Å; V338-H340 PolarHBondContact O-N 3.08Å; H340-N343 PolarHBondContact O-N 3.41Å; H340-E344 WeakPolarHBondContact O-CB 3.43Å; H340-E344 PolarHBondContact O-N 3.39Å
341	A	88.8	Confident	89	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.017	28%	0.279	C	S	.	.	H	α-helix	trans	-69.8	-37	178.9	0	0	0	0	0	112.5	I267 H281 L288 F337 V338 E344 T345	I267-A341 HydrophobicContact CD1-CB 3.44Å; I267-A341 VanDerWaalsContact CD1-CB 3.44Å; I267-A341 HydrophobicContact CG1-CB 3.79Å; H281-A341 HydrophobicContact CB-CB 4.35Å; L288-A341 HydrophobicContact CD1-CB 4.08Å; F337-A341 WeakPolarHBondContact O-CB 3.46Å; F337-A341 PolarHBondContact O-N 2.73Å; V338-A341 PolarHBondContact O-N 3.25Å; A341-E344 PolarHBondContact O-N 3.1Å; A341-T345 WeakPolarHBondContact O-CB 3.4Å; A341-T345 PolarHBondContact O-N 2.79Å; A341-T345 PolarHBondContact O-OG1 3.22Å
342	E	89.5	Confident	88	Confident	124 Å²	124	60.1 Å²	60.1	58%	0.579	30%	0.301	S	S	*	.	H	α-helix	trans	-62.6	-44.9	174.4	-73.6	176.5	174.7	0	0	111.2	V338 E339 E344 T345 A346	V338-E342 WeakPolarHBondContact O-CG 3.32Å; V338-E342 PolarHBondContact O-N 3.39Å; E339-E342 PolarHBondContact O-N 3.08Å; E342-E344 PolarHBondContact O-N 2.94Å; E342-T345 PolarHBondContact O-N 2.95Å; E342-A346 WeakPolarHBondContact O-CB 3.48Å; E342-A346 PolarHBondContact O-N 3.01Å
343	N	88.9	Confident	87.1	Confident	96 Å²	96	64.4 Å²	64.4	51%	0.513	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-43	174.6	-74.1	-35.8	0	0	0	111.9	E339 H340 A346 E347	E339-N343 WeakPolarHBondContact O-CB 3.33Å; E339-N343 VanDerWaalsContact O-CG 3.26Å; E339-N343 PolarHBondContact O-N 2.88Å; E339-N343 PolarHBondContact O-ND2 3.33Å; H340-N343 PolarHBondContact O-N 3.41Å; N343-A346 PolarHBondContact O-N 2.88Å; N343-E347 WeakPolarHBondContact O-CB 3.47Å; N343-E347 PolarHBondContact O-N 3.45Å
344	E	84.9	Confident	86.2	Confident	11 Å²	11	65.5 Å²	65.5	5%	0.051	34%	0.336	C	S	.	.	H	α-helix	trans	-63.5	-42.6	175.7	-177.2	171.1	-121	0	0	111.7	H281 R286 H340 A341 E342 E347 L348	H281-E344 IonicContact CE1-OE2 2.83Å; H281-E344 IonicContact CG-OE2 3.5Å; H281-E344 IonicContact ND1-OE2 3.49Å; H281-E344 PolarHBondContact ND1-OE2 2.81Å; R286-E344 WeakPolarHBondContact CD-OE1 3.42Å; R286-E344 IonicContact CZ-OE1 2.88Å; R286-E344 IonicContact NE-OE1 3.54Å; R286-E344 IonicContact NH1-OE1 3Å; R286-E344 PolarHBondContact NH1-OE1 2.82Å; H340-E344 WeakPolarHBondContact O-CB 3.43Å; H340-E344 PolarHBondContact O-N 3.39Å; A341-E344 PolarHBondContact O-N 3.1Å; E342-E344 PolarHBondContact O-N 2.94Å; E344-E347 PolarHBondContact O-N 2.7Å; E344-L348 HydrophobicContact CG-CD1 4.26Å; E344-L348 WeakPolarHBondContact O-CB 3.25Å; E344-L348 VanDerWaalsContact O-CG 3.22Å; E344-L348 WeakPolarHBondContact O-CG 3.32Å; E344-L348 PolarHBondContact O-N 2.84Å
345	T	85.8	Confident	85.3	Confident	13 Å²	13	67.2 Å²	67.2	8%	0.08	34%	0.343	C	S	.	.	H	α-helix	trans	-64.9	-40.9	177.2	-52	0	0	0	0	111.6	H281 A341 E342 E347 L348 R349	H281-T345 PolarHBondContact CE1-OG1 3.22Å; H281-T345 PolarHBondContact NE2-OG1 3.45Å; A341-T345 WeakPolarHBondContact O-CB 3.4Å; A341-T345 PolarHBondContact O-N 2.79Å; A341-T345 PolarHBondContact O-OG1 3.22Å; E342-T345 PolarHBondContact O-N 2.95Å; T345-E347 VanDerWaalsContact C-N 3.32Å; T345-L348 PolarHBondContact O-N 2.86Å; T345-R349 VanDerWaalsContact O-CG 3.32Å; T345-R349 WeakPolarHBondContact O-CG 3.31Å; T345-R349 PolarHBondContact O-N 2.87Å
346	A	86.3	Confident	84.1	Confident	51 Å²	51	73.9 Å²	73.9	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-40.7	175.5	0	0	0	0	0	111.5	E342 N343 R349	E342-A346 WeakPolarHBondContact O-CB 3.48Å; E342-A346 PolarHBondContact O-N 3.01Å; N343-A346 PolarHBondContact O-N 2.88Å; A346-R349 PolarHBondContact O-N 3Å
347	E	83.8	Confident	82.3	Confident	41 Å²	41	70.7 Å²	70.7	19%	0.192	35%	0.354	C	S	.	.	H	α-helix	trans	-67.8	-39.9	176.5	179.1	164.5	-138.3	0	0	112.8	N343 E344 T345 R349 L350 R355 K356 L357	N343-E347 WeakPolarHBondContact O-CB 3.47Å; N343-E347 PolarHBondContact O-N 3.45Å; E344-E347 PolarHBondContact O-N 2.7Å; T345-E347 VanDerWaalsContact C-N 3.32Å; E347-R349 PolarHBondContact O-N 2.73Å; E347-L350 WeakPolarHBondContact O-CB 3.33Å; E347-L350 PolarHBondContact O-N 3.26Å; E347-R355 HydrophobicContact CG-CB 4.26Å; E347-R355 HydrophobicContact CG-CG 4.42Å; E347-K356 WeakPolarHBondContact OE1-CA 3.5Å; E347-K356 PolarHBondContact OE1-N 2.78Å; E347-L357 HydrophobicContact CG-CD2 4.32Å; E347-L357 HydrophobicContact CG-CG 4.15Å; E347-L357 PolarHBondContact OE1-N 2.72Å; E347-L357 WeakPolarHBondContact OE2-CD2 3.47Å
348	L	80.9	Confident	80.3	Confident	14 Å²	14	74.7 Å²	74.7	7%	0.073	38%	0.381	C	S	.	.	H	α-helix	trans	-59.8	-33.4	174.8	-75.8	171.5	0	0	0	112.9	P284 E344 T345 L350 R355 M379 L386	P284-L348 HydrophobicContact CG-CD1 4.1Å; E344-L348 HydrophobicContact CG-CD1 4.26Å; E344-L348 WeakPolarHBondContact O-CB 3.25Å; E344-L348 VanDerWaalsContact O-CG 3.22Å; E344-L348 WeakPolarHBondContact O-CG 3.32Å; E344-L348 PolarHBondContact O-N 2.84Å; T345-L348 PolarHBondContact O-N 2.86Å; L348-L350 VanDerWaalsContact C-N 3.26Å; L348-L350 PolarHBondContact O-N 3.37Å; L348-R355 PolarHBondContact O-NH2 3.14Å; L348-M379 HydrophobicContact CD2-CE 3.06Å; L348-M379 HydrophobicContact CD2-SD 3.45Å; L348-M379 WeakPolarHBondContact CD2-SD 3.25Å; L348-M379 HydrophobicContact CG-CE 4.37Å; L348-L386 HydrophobicContact CB-CD1 4.38Å
349	R	82	Confident	77.9	Confident	141 Å²	141	78 Å²	78	53%	0.532	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.3	176.9	-69.5	170.1	179.8	155.1	2.6	113.6	T345 A346 E347 L386	T345-R349 VanDerWaalsContact O-CG 3.32Å; T345-R349 WeakPolarHBondContact O-CG 3.31Å; T345-R349 PolarHBondContact O-N 2.87Å; A346-R349 PolarHBondContact O-N 3Å; E347-R349 PolarHBondContact O-N 2.73Å; R349-L386 HydrophobicContact CG-CD1 4.37Å
350	L	84.6	Confident	75.3	Confident	70 Å²	70	77.7 Å²	77.7	37%	0.366	41%	0.411	S	S	.	.	S	Bend	trans	-77.1	147.2	175	-64.1	173.5	0	0	0	110.3	E347 L348 Q354 R355	E347-L350 WeakPolarHBondContact O-CB 3.33Å; E347-L350 PolarHBondContact O-N 3.26Å; L348-L350 VanDerWaalsContact C-N 3.26Å; L348-L350 PolarHBondContact O-N 3.37Å; L350-Q354 HydrophobicContact CB-CB 4.31Å; L350-R355 HydrophobicContact CB-CG 4.29Å; L350-R355 PolarHBondContact O-NE 3.22Å; L350-R355 PolarHBondContact O-NH2 2.91Å; L350-R355 VanDerWaalsContact O-NH2 3.12Å
351	P	79.2	Confident	72.4	Confident	69 Å²	69	82.7 Å²	82.7	45%	0.448	43%	0.432	S	S	.	.			trans	-54.9	144.8	169.5	-22.7	32.7	0	0	0	110.9	S353 Q354 R355	P351-S353 PolarHBondContact O-N 2.83Å; P351-Q354 PolarHBondContact O-N 2.78Å; P351-R355 PolarHBondContact O-N 2.9Å
352	K	74.1	Confident	69.8	Low	114 Å²	114	88.3 Å²	88.3	50%	0.496	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-47.4	-36.7	-176.4	-71.8	-178.2	179.3	175.3	0	114.8	Q354 R355 E380	K352-Q354 PolarHBondContact O-N 2.78Å; K352-R355 PolarHBondContact O-N 2.91Å; K352-E380 IonicContact NZ-OE1 2.9Å; K352-E380 PolarHBondContact NZ-OE1 3.26Å
353	S	76.5	Confident	66.9	Low	112 Å²	112	92.6 Å²	92.6	78%	0.783	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-66.5	-21.7	179.4	56.2	0	0	0	0	114.3	P351	P351-S353 PolarHBondContact O-N 2.83Å
354	Q	75.6	Confident	64	Low	119 Å²	119	90.6 Å²	90.6	56%	0.556	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-103.9	-6.2	-176.5	-62.9	-179.1	7.9	0	0	113.2	L350 P351 K352 K356	L350-Q354 HydrophobicContact CB-CB 4.31Å; P351-Q354 PolarHBondContact O-N 2.78Å; K352-Q354 PolarHBondContact O-N 2.78Å; Q354-K356 PolarHBondContact O-N 2.91Å
355	R	75.3	Confident	61.4	Low	37 Å²	37	93.9 Å²	93.9	14%	0.14	51%	0.51	C	S	.	.			trans	-70.6	129.1	177.8	-59.2	-175.7	-173.9	160.1	4.3	109.5	E347 L348 L350 P351 K352 L357 E383	E347-R355 HydrophobicContact CG-CB 4.26Å; E347-R355 HydrophobicContact CG-CG 4.42Å; L348-R355 PolarHBondContact O-NH2 3.14Å; L350-R355 HydrophobicContact CB-CG 4.29Å; L350-R355 PolarHBondContact O-NE 3.22Å; L350-R355 PolarHBondContact O-NH2 2.91Å; L350-R355 VanDerWaalsContact O-NH2 3.12Å; P351-R355 PolarHBondContact O-N 2.9Å; K352-R355 PolarHBondContact O-N 2.91Å; R355-L357 VanDerWaalsContact C-N 3.3Å; R355-L357 HydrophobicContact CB-CD1 4.09Å; R355-L357 HydrophobicContact CB-CG 4.23Å; R355-L357 HydrophobicContact CG-CD1 4.5Å; R355-E383 IonicContact CZ-OE2 3.37Å; R355-E383 IonicContact NH1-OE2 2.71Å; R355-E383 IonicContact NH2-OE1 2.67Å; R355-E383 PolarHBondContact NH2-OE1 3.48Å; R355-E383 IonicContact NH2-OE2 3.5Å; R355-E383 PolarHBondContact NH2-OE2 2.76Å
356	K	67.4	Low	59	Low	188 Å²	188	103.4 Å²	103.4	82%	0.817	55%	0.55	S	S	*	.			trans	-99.2	38.4	169	-65.9	-177.4	-178.4	175.6	0	110.1	E347 Q354	E347-K356 WeakPolarHBondContact OE1-CA 3.5Å; E347-K356 PolarHBondContact OE1-N 2.78Å; Q354-K356 PolarHBondContact O-N 2.91Å
357	L	57.5	Low	56.6	Low	56 Å²	56	102.4 Å²	102.4	29%	0.293	54%	0.54	S	S	.	.			trans	-60.1	137.2	176.7	-75.8	160.7	0	0	0	107.1	E347 R355 S359 M379	E347-L357 HydrophobicContact CG-CD2 4.32Å; E347-L357 HydrophobicContact CG-CG 4.15Å; E347-L357 PolarHBondContact OE1-N 2.72Å; E347-L357 WeakPolarHBondContact OE2-CD2 3.47Å; R355-L357 VanDerWaalsContact C-N 3.3Å; R355-L357 HydrophobicContact CB-CD1 4.09Å; R355-L357 HydrophobicContact CB-CG 4.23Å; R355-L357 HydrophobicContact CG-CD1 4.5Å; L357-S359 PolarHBondContact O-N 2.9Å; L357-M379 HydrophobicContact CD1-CE 3.54Å; L357-M379 HydrophobicContact CD2-CE 4.33Å
358	P	50.1	Low	54.5	Low	94 Å²	94	109.3 Å²	109.3	61%	0.61	56%	0.564	S	S	*	*			trans	-60.9	95.1	167.5	20.1	-25.3	0	0	0	107.5	T360	P358-T360 PolarHBondContact O-N 3.08Å; P358-T360 VanDerWaalsContact O-N 3.15Å
359	S	42.5	Very low	52.2	Low	87 Å²	87	118.5 Å²	118.5	61%	0.608	60%	0.598	S	S	*	*			trans	-45.3	125	161.4	172.3	0	0	0	0	105.3	L357 K361	L357-S359 PolarHBondContact O-N 2.9Å; S359-K361 PolarHBondContact O-N 2.83Å
360	T	38.9	Very low	50.3	Low	116 Å²	116	114 Å²	114	71%	0.712	58%	0.584	S	S	*	*	S	Bend	trans	-67.4	60.7	179.2	42.7	0	0	0	0	110.5	P358 L362	P358-T360 PolarHBondContact O-N 3.08Å; P358-T360 VanDerWaalsContact O-N 3.15Å; T360-L362 VanDerWaalsContact C-N 3.29Å
361	K	28.1	Very low	47.9	Very low	181 Å²	181	114 Å²	114	79%	0.787	59%	0.589	S	S	*	*			trans	-96.9	28.2	161.6	-70.7	-170.3	179.5	178.8	0	110.9	S359 K363	S359-K361 PolarHBondContact O-N 2.83Å; K361-K363 PolarHBondContact O-N 3.43Å
362	L	34.3	Very low	45.8	Very low	120 Å²	120	118.8 Å²	118.8	63%	0.628	61%	0.61	S	S	*	*			trans	-68.3	89.6	155.4	-92.9	134.7	0	0	0	107.3	T360 G364	T360-L362 VanDerWaalsContact C-N 3.29Å; L362-G364 PolarHBondContact O-N 2.67Å
363	K	28.3	Very low	43.9	Very low	214 Å²	214	116.9 Å²	116.9	93%	0.93	61%	0.608	S	S	*	*			trans	-61.1	85.9	162	-76.5	-175.9	175	-178.9	0	107.7	K361	K361-K363 PolarHBondContact O-N 3.43Å
364	G	28	Very low	42.2	Very low	54 Å²	54	115.5 Å²	115.5	56%	0.557	59%	0.592	S	S	*	*	S	Bend	trans	155	118.8	175	0	0	0	0	0	113.5	L362	L362-G364 PolarHBondContact O-N 2.67Å
365	A	30.2	Very low	40.8	Very low	81 Å²	81	113.7 Å²	113.7	67%	0.669	59%	0.589	S	S	*	*			trans	71.2	116.2	165.8	0	0	0	0	0	117.4	S367	A365-S367 PolarHBondContact O-N 3.34Å
366	K	35.1	Very low	39.3	Very low	213 Å²	213	116.9 Å²	116.9	93%	0.926	61%	0.609	S	S	*	*	S	Bend	trans	-61.2	30	178	-63	175.9	173.5	178.3	0	115.3
367	S	36.5	Very low	38.4	Very low	30 Å²	30	113.6 Å²	113.6	21%	0.21	60%	0.596	C	S	.	*			trans	-109.3	6	-163.1	-170.2	0	0	0	0	115.5	T249 A365	T249-S367 WeakPolarHBondContact CG2-OG 3.12Å; A365-S367 PolarHBondContact O-N 3.34Å
368	R	38.5	Very low	38	Very low	185 Å²	185	113.2 Å²	113.2	70%	0.698	59%	0.591	S	S	*	*	S	Bend	trans	-129.5	23.5	177.8	-78.4	-165.6	-87.8	-169.5	-8.1	114.1
369	R	33.5	Very low	38.2	Very low	208 Å²	208	110.3 Å²	110.3	79%	0.785	57%	0.57	S	S	*	*			trans	-100.1	96.7	177.6	-76.6	-173.8	177.8	-173.4	-3.3	110	C371	R369-C371 PolarHBondContact O-N 2.87Å
370	L	42.1	Very low	38.8	Very low	46 Å²	46	111.2 Å²	111.2	24%	0.241	56%	0.564	C	S	.	*			trans	-82.5	100.4	163.9	-68.8	164.7	0	0	0	106.9	P235 L287	P235-L370 WeakPolarHBondContact O-CD2 3.28Å; L287-L370 HydrophobicContact CB-CD1 4.26Å
371	C	34.2	Very low	39.7	Very low	71 Å²	71	112.7 Å²	112.7	48%	0.48	56%	0.558	S	S	.	*			trans	69.7	144.6	176.3	-129.7	0	0	0	0	117	R369	R369-C371 PolarHBondContact O-N 2.87Å
372	L	36.2	Very low	41.1	Very low	169 Å²	169	104.7 Å²	104.7	89%	0.885	52%	0.524	S	S	*	.	S	Bend	trans	-82.4	-5.9	-168.6	-105.4	147.1	0	0	0	114.6
373	T	33.6	Very low	42.5	Very low	74 Å²	74	102.9 Å²	102.9	45%	0.454	51%	0.512	S	S	.	.	S	Bend	trans	-80	125.1	174.1	51.9	0	0	0	0	108.3	T375	T373-T375 PolarHBondContact O-N 3.48Å
374	D	40.2	Very low	44.2	Very low	83 Å²	83	96 Å²	96	44%	0.444	50%	0.502	S	S	.	.			trans	-39.3	125.7	-172.2	-156.7	-22.9	0	0	0	110.5	N376 E377 R378	D374-N376 PolarHBondContact O-N 3.03Å; D374-N376 PolarHBondContact OD1-N 2.82Å; D374-N376 PolarHBondContact OD1-ND2 2.93Å; D374-E377 HydrophobicContact CB-CB 4.23Å; D374-E377 HydrophobicContact CB-CG 4Å; D374-E377 PolarHBondContact O-N 2.92Å; D374-R378 PolarHBondContact O-N 2.86Å
375	T	46.3	Very low	45.8	Very low	81 Å²	81	97.2 Å²	97.2	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-50.7	-29.1	178.5	43.3	0	0	0	0	110.4	T373 M379	T373-T375 PolarHBondContact O-N 3.48Å; T375-M379 VanDerWaalsContact O-CB 3.31Å; T375-M379 WeakPolarHBondContact O-CB 3.47Å; T375-M379 WeakPolarHBondContact O-CG 3.33Å; T375-M379 PolarHBondContact O-N 2.64Å
376	N	43.4	Very low	47.4	Very low	103 Å²	103	94.9 Å²	94.9	55%	0.551	47%	0.471	S	S	*	.	H	α-helix	trans	-69.6	-46	175.8	-61.5	-36.6	0	0	0	113.9	D374 R378 M379 E380	D374-N376 PolarHBondContact O-N 3.03Å; D374-N376 PolarHBondContact OD1-N 2.82Å; D374-N376 PolarHBondContact OD1-ND2 2.93Å; N376-R378 VanDerWaalsContact C-N 3.35Å; N376-M379 PolarHBondContact O-N 3.43Å; N376-E380 PolarHBondContact O-N 2.88Å
377	E	48.5	Very low	48.2	Very low	119 Å²	119	90 Å²	90	56%	0.556	46%	0.461	S	S	*	.	H	α-helix	trans	-64.2	-40.8	177.2	-71.9	177.6	167.5	0	0	111.1	D374 M379 E380 Y381	D374-E377 HydrophobicContact CB-CB 4.23Å; D374-E377 HydrophobicContact CB-CG 4Å; D374-E377 PolarHBondContact O-N 2.92Å; E377-M379 VanDerWaalsContact C-N 3.34Å; E377-M379 PolarHBondContact O-N 2.97Å; E377-E380 PolarHBondContact O-N 3.33Å; E377-Y381 PolarHBondContact O-N 3.19Å; E377-Y381 VanDerWaalsContact O-N 3.12Å
378	R	49.7	Very low	48.8	Very low	48 Å²	48	97.3 Å²	97.3	18%	0.181	49%	0.492	C	S	.	.	H	α-helix	trans	-66.7	-37	177.2	-168.4	170.5	170.5	104.7	-1.6	111.7	D232 N285 D374 N376 Y381 L382	D232-R378 IonicContact OD1-CZ 2.54Å; D232-R378 IonicContact OD1-NH1 3.5Å; D232-R378 PolarHBondContact OD1-NH1 3.37Å; D232-R378 IonicContact OD1-NH2 2.6Å; D232-R378 IonicContact OD2-CZ 3.89Å; D232-R378 IonicContact OD2-NH1 3.26Å; D232-R378 IonicContact OD2-NH2 3.57Å; D232-R378 PolarHBondContact OD2-NH2 3.19Å; N285-R378 PolarHBondContact ND2-NH2 3.35Å; D374-R378 PolarHBondContact O-N 2.86Å; N376-R378 VanDerWaalsContact C-N 3.35Å; R378-Y381 PolarHBondContact O-N 3.35Å; R378-L382 HydrophobicContact CG-CD1 3.92Å; R378-L382 WeakPolarHBondContact O-CB 3.29Å; R378-L382 VanDerWaalsContact O-CD1 3.28Å; R378-L382 WeakPolarHBondContact O-CD1 3.18Å; R378-L382 WeakPolarHBondContact O-CG 3.39Å; R378-L382 PolarHBondContact O-N 3.07Å
379	M	53.4	Low	48.9	Very low	34 Å²	34	96.3 Å²	96.3	17%	0.167	49%	0.493	C	S	.	.	H	α-helix	trans	-69.3	-34	176.8	-65.3	-92.3	-83.3	0	0	112	P284 L348 L357 T375 N376 E377 L382 E383	P284-M379 HydrophobicContact CB-SD 4.35Å; L348-M379 HydrophobicContact CD2-CE 3.06Å; L348-M379 HydrophobicContact CD2-SD 3.45Å; L348-M379 WeakPolarHBondContact CD2-SD 3.25Å; L348-M379 HydrophobicContact CG-CE 4.37Å; L357-M379 HydrophobicContact CD1-CE 3.54Å; L357-M379 HydrophobicContact CD2-CE 4.33Å; T375-M379 VanDerWaalsContact O-CB 3.31Å; T375-M379 WeakPolarHBondContact O-CB 3.47Å; T375-M379 WeakPolarHBondContact O-CG 3.33Å; T375-M379 PolarHBondContact O-N 2.64Å; N376-M379 PolarHBondContact O-N 3.43Å; E377-M379 VanDerWaalsContact C-N 3.34Å; E377-M379 PolarHBondContact O-N 2.97Å; M379-L382 PolarHBondContact O-N 3.32Å; M379-E383 WeakPolarHBondContact O-CB 3.35Å; M379-E383 PolarHBondContact O-N 3.43Å
380	E	56.2	Low	49	Very low	106 Å²	106	95 Å²	95	50%	0.495	50%	0.495	S	S	.	.	H	α-helix	trans	-62	-45.3	170.3	-75.4	179.4	173.9	0	0	111.9	K352 N376 E377 L382 E383	K352-E380 IonicContact NZ-OE1 2.9Å; K352-E380 PolarHBondContact NZ-OE1 3.26Å; N376-E380 PolarHBondContact O-N 2.88Å; E377-E380 PolarHBondContact O-N 3.33Å; E380-L382 VanDerWaalsContact C-N 3.3Å; E380-L382 PolarHBondContact O-N 2.75Å; E380-E383 PolarHBondContact O-N 3.47Å
381	Y	58.3	Low	48.6	Very low	146 Å²	146	99.7 Å²	99.7	57%	0.573	52%	0.521	S	S	*	.	H	α-helix	trans	-59.7	-40.7	175.5	177.6	-99.3	0	0	0	112.1	E377 R378 L385	E377-Y381 PolarHBondContact O-N 3.19Å; E377-Y381 VanDerWaalsContact O-N 3.12Å; R378-Y381 PolarHBondContact O-N 3.35Å; Y381-L385 HydrophobicContact CD1-CD1 4.32Å; Y381-L385 HydrophobicContact CE1-CD1 3.86Å
382	L	56.8	Low	48.3	Very low	13 Å²	13	104.3 Å²	104.3	7%	0.068	54%	0.537	C	S	.	.	H	α-helix	trans	-78.7	-27.4	-177.2	-66.6	161.3	0	0	0	113.6	I283 P284 R378 M379 E380 G384 L385	I283-L382 HydrophobicContact CB-CD2 4.33Å; I283-L382 HydrophobicContact CG2-CD2 3.7Å; P284-L382 VanDerWaalsContact CA-CD1 3.5Å; P284-L382 HydrophobicContact CB-CD1 3.5Å; R378-L382 HydrophobicContact CG-CD1 3.92Å; R378-L382 WeakPolarHBondContact O-CB 3.29Å; R378-L382 VanDerWaalsContact O-CD1 3.28Å; R378-L382 WeakPolarHBondContact O-CD1 3.18Å; R378-L382 WeakPolarHBondContact O-CG 3.39Å; R378-L382 PolarHBondContact O-N 3.07Å; M379-L382 PolarHBondContact O-N 3.32Å; E380-L382 VanDerWaalsContact C-N 3.3Å; E380-L382 PolarHBondContact O-N 2.75Å; L382-G384 PolarHBondContact O-N 3.37Å; L382-L385 HydrophobicContact CD2-CD1 4.18Å; L382-L385 PolarHBondContact O-N 3.17Å
383	E	63.7	Low	48.1	Very low	83 Å²	83	104.4 Å²	104.4	39%	0.388	54%	0.538	S	S	.	.	H	α-helix	trans	-59.4	-35.3	175.4	-172.3	166.3	178.2	0	0	111.2	R355 M379 E380 L385	R355-E383 IonicContact CZ-OE2 3.37Å; R355-E383 IonicContact NH1-OE2 2.71Å; R355-E383 IonicContact NH2-OE1 2.67Å; R355-E383 PolarHBondContact NH2-OE1 3.48Å; R355-E383 IonicContact NH2-OE2 3.5Å; R355-E383 PolarHBondContact NH2-OE2 2.76Å; M379-E383 WeakPolarHBondContact O-CB 3.35Å; M379-E383 PolarHBondContact O-N 3.43Å; E380-E383 PolarHBondContact O-N 3.47Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 3.28Å
384	G	63.1	Low	48	Very low	70 Å²	70	105.9 Å²	105.9	72%	0.722	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-10.7	174	0	0	0	0	0	115.5	L382	L382-G384 PolarHBondContact O-N 3.37Å
385	L	62.1	Low	47.4	Very low	79 Å²	79	106.1 Å²	106.1	41%	0.414	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.9	-7.6	179.5	-68.7	172.7	0	0	0	113.4	I283 Y381 L382 E383	I283-L385 HydrophobicContact CG2-CB 4.34Å; Y381-L385 HydrophobicContact CD1-CD1 4.32Å; Y381-L385 HydrophobicContact CE1-CD1 3.86Å; L382-L385 HydrophobicContact CD2-CD1 4.18Å; L382-L385 PolarHBondContact O-N 3.17Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 3.28Å
386	L	63.1	Low	46.7	Very low	32 Å²	32	110.4 Å²	110.4	17%	0.168	58%	0.579	C	S	.	*	S	Bend	trans	-75.4	143.5	174.9	-66.5	174.9	0	0	0	110	L348 R349 E388	L348-L386 HydrophobicContact CB-CD1 4.38Å; R349-L386 HydrophobicContact CG-CD1 4.37Å; L386-E388 PolarHBondContact O-N 2.7Å
387	P	52.1	Low	46	Very low	109 Å²	109	112.6 Å²	112.6	71%	0.708	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-55.6	135.6	175.2	-21	29.8	0	0	0	111.2
388	E	48.8	Very low	45.2	Very low	185 Å²	185	112 Å²	112	86%	0.864	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-58.1	142.4	174.8	-68.9	-173.9	164.3	0	0	110.7	L386 Q390	L386-E388 PolarHBondContact O-N 2.7Å; E388-Q390 PolarHBondContact O-N 3.46Å; E388-Q390 VanDerWaalsContact O-N 3.08Å
389	K	41.3	Very low	44.1	Very low	164 Å²	164	118.4 Å²	118.4	71%	0.713	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-55.3	118.1	173.5	-81.5	-179.2	176.7	175.3	0	108.8	N391	K389-N391 VanDerWaalsContact C-N 3.3Å; K389-N391 PolarHBondContact O-N 3.28Å
390	Q	36.7	Very low	43.1	Very low	179 Å²	179	124.1 Å²	124.1	84%	0.836	66%	0.663	S	S	*	*			trans	-62.1	102.7	153.7	-74.8	-179.2	-6.8	0	0	106.1	E388 M392	E388-Q390 PolarHBondContact O-N 3.46Å; E388-Q390 VanDerWaalsContact O-N 3.08Å; Q390-M392 PolarHBondContact O-N 3.36Å
391	N	33.5	Very low	42	Very low	146 Å²	146	124 Å²	124	78%	0.781	67%	0.674	S	S	*	*			trans	-65	76.3	173.6	-80.3	-21.3	0	0	0	109.2	K389 L393	K389-N391 VanDerWaalsContact C-N 3.3Å; K389-N391 PolarHBondContact O-N 3.28Å; N391-L393 VanDerWaalsContact C-N 3.29Å; N391-L393 PolarHBondContact O-N 2.61Å
392	M	28.3	Very low	40.5	Very low	167 Å²	167	124.6 Å²	124.6	82%	0.823	69%	0.686	S	S	*	*			trans	-79.1	87.2	157.9	-74.5	-79	-109.5	0	0	106	Q390	Q390-M392 PolarHBondContact O-N 3.36Å
393	L	32.1	Very low	39.4	Very low	171 Å²	171	129.4 Å²	129.4	90%	0.895	72%	0.721	S	S	*	*			trans	-168.8	83.3	157.5	-96.2	157	0	0	0	107.5	N391	N391-L393 VanDerWaalsContact C-N 3.29Å; N391-L393 PolarHBondContact O-N 2.61Å
394	S	30.2	Very low	37.7	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	74%	0.736	S	S	*	*			trans	-68.7	134.8	158.4	51.1	0	0	0	0	109.6
395	S	28.9	Very low	36.4	Very low	87 Å²	87	137.2 Å²	137.2	61%	0.608	74%	0.743	S	S	*	*			trans	56	96.8	154.7	63.8	0	0	0	0	117.5
396	N	31	Very low	34.8	Very low	171 Å²	171	140.6 Å²	140.6	91%	0.914	76%	0.762	S	S	*	*				-135.7	91.6	125.5	-94.3	-18.8	0	0	0	107.5
397	D	27.7	Very low	33.5	Very low	150 Å²	150	144.5 Å²	144.5	80%	0.802	79%	0.792	S	S	*	*			trans	-56.9	127.2	156	-68.8	-47.5	0	0	0	108.9
398	S	32.3	Very low	32.6	Very low	107 Å²	107	145 Å²	145	75%	0.748	80%	0.798	S	S	*	*			trans	-170.7	99.8	133.6	2.4	0	0	0	0	109.6
399	E	27	Very low	32.1	Very low	181 Å²	181	141.2 Å²	141.2	85%	0.846	79%	0.792	S	S	*	*				33.6	115	126.7	-59.3	-178.4	158.9	0	0	118.1
400	N	32.6	Very low	31.7	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	80%	0.796	S	S	*	*				-160	105.1	117.9	-99.7	-27.6	0	0	0	112
401	S	31.7	Very low	31.4	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	79%	0.788	S	S	*	*			trans	46.3	105.7	131.8	46.1	0	0	0	0	120.3
402	I	27	Very low	31.3	Very low	158 Å²	158	138.3 Å²	138.3	81%	0.81	79%	0.792	S	S	*	*			trans	-43.6	133.6	140.2	-69.6	146.6	0	0	0	112
403	S	34.3	Very low	31.7	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	82%	0.815	S	S	*	*			trans	-151.6	111	136.6	58.4	0	0	0	0	109.7
404	H	28.6	Very low	31.7	Very low	153 Å²	153	139.1 Å²	139.1	71%	0.708	81%	0.81	S	S	*	*			trans	-52.7	147.2	153.9	-82.4	-84.7	0	0	0	110.2
405	D	34.7	Very low	31.8	Very low	163 Å²	163	140.8 Å²	140.8	87%	0.872	81%	0.814	S	S	*	*				-165.2	125.5	119.9	-92.4	-21.4	0	0	0	110.8
406	D	28.6	Very low	32	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	83%	0.826	S	S	*	*			trans	-68.4	138.5	166.1	-72.6	-50.3	0	0	0	110.2
407	S	37.1	Very low	32	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	82%	0.82	S	S	*	*			trans	-158.9	100.3	143.1	64.8	0	0	0	0	110.1
408	S	32.2	Very low	32.3	Very low	121 Å²	121	141.8 Å²	141.8	85%	0.846	82%	0.821	S	S	*	*			trans	-66.6	133.8	154.9	43.5	0	0	0	0	109.9
409	S	37.5	Very low	32.3	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	83%	0.826	S	S	*	*			trans	-150.5	96.8	158.4	61.2	0	0	0	0	109
410	D	34.3	Very low	32.7	Very low	149 Å²	149	141.4 Å²	141.4	80%	0.797	83%	0.825	S	S	*	*				43.6	110	121.6	-74.8	-7.4	0	0	0	119.9
411	S	30.5	Very low	32.7	Very low	97 Å²	97	140.5 Å²	140.5	68%	0.678	83%	0.825	S	S	*	*				57.1	130.6	116.2	70.1	0	0	0	0	122.1
412	E	31.1	Very low	32.8	Very low	183 Å²	183	143.5 Å²	143.5	86%	0.855	83%	0.833	S	S	*	*			trans	92.2	116.3	136.2	-80.8	-178.5	-174.1	0	0	120.6
413	V	37.2	Very low	33.3	Very low	215 Å²	215	142.2 Å²	142.2	100%	1.303	84%	0.835	S	S	*	*			trans	77.1	0	160.3	-165.8	0	0	0	0	118.3

Retrieved 413 of 413 residues in 161.4 ms (Link to these results)

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