A0A3B3UT66_9TELE Loading...

Serine-threonine kinase receptor-associated protein

AlphaFold DB , UniProt , Accession A0A3B3UT66, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 329 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	52.1	Low	84.1	Confident	239 Å²	239	92 Å²	92	100%	1.177	50%	0.502	S	S	*	.				0	135.3	0	-74.9	-177.4	-168.4	0	0	107.2	M3	M1-M3 PolarHBondContact O-N 3.03Å
2	A	63.2	Low	84.7	Confident	104 Å²	104	87.9 Å²	87.9	86%	0.86	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-64.5	131	170.4	0	0	0	0	0	108.9
3	M	78.6	Confident	85.7	Confident	115 Å²	115	82.5 Å²	82.5	57%	0.567	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-67.5	138.9	176.4	-74.7	-168.3	-87.8	0	0	109.7	M1 V297	M1-M3 PolarHBondContact O-N 3.03Å; M3-V297 HydrophobicContact CB-CG1 3.72Å
4	R	82.4	Confident	86.4	Confident	216 Å²	216	84.6 Å²	84.6	82%	0.815	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-85	125.2	-178	-179.2	-178.7	176	-177.5	-0.5	110.1	T6	R4-T6 PolarHBondContact O-N 3.07Å; R4-T6 PolarHBondContact O-OG1 3.43Å
5	Q	88.8	Confident	87.2	Confident	18 Å²	18	89.3 Å²	89.3	8%	0.084	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-58	121.5	169.3	-175.8	73.1	-89.2	0	0	110.2	Y262 W293 Q294 V297	Q5-Y262 HydrophobicContact CB-CD1 3.73Å; Q5-Y262 HydrophobicContact CB-CE1 3.38Å; Q5-Y262 HydrophobicContact CG-CD1 3.82Å; Q5-Y262 HydrophobicContact CG-CE1 3.59Å; Q5-Y262 HydrophobicContact CG-CE2 4.49Å; Q5-Y262 HydrophobicContact CG-CG 4.32Å; Q5-Y262 PolarHBondContact NE2-OH 3.17Å; Q5-Y262 VanDerWaalsContact NE2-OH 3.08Å; Q5-W293 HydrophobicContact CG-CE3 3.85Å; Q5-W293 HydrophobicContact CG-CZ3 4.31Å; Q5-Q294 PolarHBondContact NE2-O 3.3Å; Q5-V297 HydrophobicContact CB-CG2 4.01Å; Q5-V297 HydrophobicContact CG-CG2 4.42Å
6	T	89.4	Confident	87.9	Confident	84 Å²	84	84.5 Å²	84.5	52%	0.515	46%	0.462	S	S	.	.			trans	-126.3	110.5	177.6	-56.2	0	0	0	0	108.6	R4 W304	R4-T6 PolarHBondContact O-N 3.07Å; R4-T6 PolarHBondContact O-OG1 3.43Å; T6-W304 PolarHBondContact O-NE1 2.82Å
7	P	94.3	Very high	88.6	Confident	25 Å²	25	79.5 Å²	79.5	16%	0.162	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-73.7	147.4	-178.2	29	-34.3	0	0	0	112	R291 L292 W293	P7-R291 HydrophobicContact CB-CB 4.12Å; P7-R291 HydrophobicContact CB-CG 4.49Å; P7-L292 CarbonylContact C-O 3.56Å; P7-L292 WeakPolarHBondContact CA-O 3.47Å; P7-L292 WeakPolarHBondContact CB-O 3.46Å; P7-W293 HydrophobicContact CB-CD2 3.74Å; P7-W293 HydrophobicContact CB-CE3 3.75Å; P7-W293 HydrophobicContact CB-CG 4.44Å; P7-W293 HydrophobicContact CB-CH2 3.87Å; P7-W293 HydrophobicContact CB-CZ2 3.81Å; P7-W293 HydrophobicContact CB-CZ3 3.81Å; P7-W293 HydrophobicContact CG-CE3 4.19Å; P7-W293 HydrophobicContact CG-CH2 3.67Å; P7-W293 HydrophobicContact CG-CZ2 4.03Å; P7-W293 HydrophobicContact CG-CZ3 3.74Å
8	L	95.4	Very high	89.1	Confident	41 Å²	41	76.4 Å²	76.4	22%	0.215	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.9	167.1	-60	172	0	0	0	108.6	R291 L292 L303 W304	L8-R291 CarbonylContact O-C 3.55Å; L8-R291 WeakPolarHBondContact O-CA 3.39Å; L8-L292 HydrophobicContact CB-CB 4.28Å; L8-L292 PolarHBondContact N-O 3.39Å; L8-L292 PolarHBondContact O-N 3.3Å; L8-L303 HydrophobicContact CD1-CB 3.8Å; L8-L303 HydrophobicContact CD1-CD1 4.33Å; L8-L303 HydrophobicContact CD1-CG 4.4Å; L8-L303 HydrophobicContact CD2-CB 4.37Å; L8-W304 HydrophobicContact CB-CZ2 4.28Å; L8-W304 HydrophobicContact CD1-CD2 3.83Å; L8-W304 HydrophobicContact CD1-CE3 3.81Å; L8-W304 HydrophobicContact CD1-CH2 3.62Å; L8-W304 HydrophobicContact CD1-CZ2 3.61Å; L8-W304 HydrophobicContact CD1-CZ3 3.71Å; L8-W304 HydrophobicContact CG-CD2 4.2Å; L8-W304 HydrophobicContact CG-CH2 4.04Å; L8-W304 HydrophobicContact CG-CZ2 3.52Å
9	T	96	Very high	89.6	Confident	70 Å²	70	73.2 Å²	73.2	43%	0.429	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.8	178.9	-60	0	0	0	0	110.2	T289	T9-T289 HydrophobicContact CG2-CG2 4.31Å
10	C	95.6	Very high	90	Very high	8 Å²	8	69.6 Å²	69.6	5%	0.054	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	93.7	178.6	-62.5	0	0	0	0	109.3	L290	C10-L290 HydrophobicContact CB-CB 4.04Å; C10-L290 HydrophobicContact CB-CD2 3.53Å; C10-L290 HydrophobicContact CB-CG 4.32Å; C10-L290 WeakPolarHBondContact CB-O 3.26Å; C10-L290 PolarHBondContact N-O 2.69Å; C10-L290 VanDerWaalsContact SG-CD2 3.56Å
11	S	89.4	Confident	90.4	Very high	92 Å²	92	67 Å²	67	64%	0.643	37%	0.369	S	S	*	.			trans	-73.7	156	-179.7	-56.8	0	0	0	0	112.5	R44	S11-R44 PolarHBondContact O-NH1 3.04Å; S11-R44 PolarHBondContact O-NH2 3.09Å
12	G	91.6	Very high	92.6	Very high	43 Å²	43	57 Å²	57	44%	0.443	32%	0.319	S	S	.	.			trans	148.6	-40.6	171.8	0	0	0	0	0	113.2	M42	G12-M42 VanDerWaalsContact C-CE 3.47Å; G12-M42 WeakPolarHBondContact O-CE 3.2Å
13	H	96.7	Very high	94.3	Very high	17 Å²	17	52.3 Å²	52.3	8%	0.079	28%	0.28	C	S	.	.			trans	-73.3	149.1	175.4	-71.8	-54.9	0	0	0	112	V17 S34 C36 D38 K40 G288	H13-V17 HydrophobicContact CB-CG2 4.01Å; H13-V17 VanDerWaalsContact CD2-CG2 3.48Å; H13-V17 WeakPolarHBondContact CD2-CG2 3.5Å; H13-S34 PolarHBondContact NE2-OG 3.36Å; H13-C36 HydrophobicContact CB-CB 4.39Å; H13-C36 WeakPolarHBondContact CE1-CB 3.42Å; H13-C36 WeakPolarHBondContact ND1-CB 3.48Å; H13-C36 PolarHBondContact ND1-SG 2.63Å; H13-D38 WeakPolarHBondContact CA-OD2 3.39Å; H13-D38 IonicContact CG-OD2 2.68Å; H13-D38 IonicContact ND1-OD1 3.98Å; H13-D38 IonicContact ND1-OD2 3.79Å; H13-D38 PolarHBondContact ND1-OD2 3.05Å; H13-K40 PolarHBondContact CE1-O 2.94Å; H13-G288 WeakPolarHBondContact CB-O 3.28Å
14	T	96.6	Very high	95.2	Very high	112 Å²	112	47.7 Å²	47.7	69%	0.687	26%	0.262	S	S	*	.	S	Bend	trans	-116.9	0.3	-179.1	58.5	0	0	0	0	113.2	D38	T14-D38 PolarHBondContact N-OD2 2.88Å; T14-D38 WeakPolarHBondContact OG1-CB 3.03Å; T14-D38 PolarHBondContact OG1-OD2 3.5Å
15	R	98.3	Very high	95.9	Very high	156 Å²	156	42.8 Å²	42.8	59%	0.589	25%	0.251	S	S	*	.	S	Bend	trans	-143.5	170.5	-176.7	-69	-69.7	-169	-179.1	-0.7	108.8	V17 C36 K37 D38 G288	R15-V17 PolarHBondContact O-N 3.45Å; R15-C36 VanDerWaalsContact C-SG 3.54Å; R15-C36 PolarHBondContact O-SG 3.11Å; R15-K37 HydrophobicContact CB-CB 3.95Å; R15-D38 HydrophobicContact CB-CB 3.83Å; R15-D38 HydrophobicContact CG-CB 3.75Å; R15-G288 WeakPolarHBondContact O-CA 3.44Å
16	P	98.4	Very high	96.3	Very high	12 Å²	12	42.8 Å²	42.8	8%	0.078	25%	0.252	C	S	.	.			trans	-49	133.2	-179.5	-33.5	37.7	0	0	0	114.5	V18 C36 K37 S285 E286	P16-V18 HydrophobicContact CB-CG1 4.2Å; P16-C36 WeakPolarHBondContact O-CA 3.33Å; P16-C36 PolarHBondContact O-SG 3.37Å; P16-K37 HydrophobicContact CB-CD 3.8Å; P16-K37 HydrophobicContact CB-CG 4.17Å; P16-K37 HydrophobicContact CG-CD 3.89Å; P16-K37 PolarHBondContact O-N 3.48Å; P16-S285 WeakPolarHBondContact CA-O 3.47Å; P16-E286 WeakPolarHBondContact CB-OE2 3.38Å; P16-E286 HydrophobicContact CG-CG 4.15Å; P16-E286 WeakPolarHBondContact CG-OE1 3.1Å; P16-E286 VanDerWaalsContact CG-OE2 3.23Å; P16-E286 WeakPolarHBondContact CG-OE2 3.46Å
17	V	98.6	Very high	96.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.4	169.8	-175.9	0	0	0	0	107.8	H13 R15 L20 A35 G284 S285	H13-V17 HydrophobicContact CB-CG2 4.01Å; H13-V17 VanDerWaalsContact CD2-CG2 3.48Å; H13-V17 WeakPolarHBondContact CD2-CG2 3.5Å; R15-V17 PolarHBondContact O-N 3.45Å; V17-L20 HydrophobicContact CG1-CD2 4.06Å; V17-A35 WeakPolarHBondContact CA-O 3.37Å; V17-G284 CarbonylContact O-C 3.55Å; V17-S285 PolarHBondContact N-O 3.24Å
18	V	98.3	Very high	96.7	Very high	24 Å²	24	52.7 Å²	52.7	15%	0.145	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-18	-164.3	-66.4	0	0	0	0	114.7	P16 A35 K37 V62 W63	P16-V18 HydrophobicContact CB-CG1 4.2Å; V18-A35 HydrophobicContact CG2-CB 4.29Å; V18-A35 PolarHBondContact N-O 3.16Å; V18-K37 HydrophobicContact CG1-CD 4.32Å; V18-K37 HydrophobicContact CG1-CG 3.97Å; V18-V62 WeakPolarHBondContact CG2-O 3.43Å; V18-W63 HydrophobicContact CG2-CE3 4.32Å
19	D	98.6	Very high	96.8	Very high	14 Å²	14	52 Å²	52	8%	0.075	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	150.1	175.3	-160.6	27	0	0	0	110	A35 W63 G64 A65 K148	D19-A35 HydrophobicContact CB-CB 3.79Å; D19-A35 PolarHBondContact O-N 3.48Å; D19-W63 WeakPolarHBondContact CB-O 2.91Å; D19-G64 WeakPolarHBondContact OD2-CA 3.06Å; D19-A65 PolarHBondContact OD2-N 3.01Å; D19-K148 IonicContact OD1-NZ 3.08Å; D19-K148 PolarHBondContact OD1-NZ 2.82Å; D19-K148 IonicContact OD2-NZ 3.41Å; D19-K148 PolarHBondContact OD2-NZ 2.85Å
20	L	98.1	Very high	96.9	Very high	1 Å²	1	49 Å²	49	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.5	180	-66.3	173.3	0	0	0	109	V17 L32 I33 C271 R273 A282 L290	V17-L20 HydrophobicContact CG1-CD2 4.06Å; L20-L32 HydrophobicContact CB-CD1 4.32Å; L20-L32 HydrophobicContact CD2-CD1 4.23Å; L20-I33 WeakPolarHBondContact CA-O 3.47Å; L20-C271 HydrophobicContact CD1-CB 4.44Å; L20-C271 HydrophobicContact CG-CB 4.34Å; L20-R273 HydrophobicContact CB-CG 4.14Å; L20-A282 HydrophobicContact CD1-CB 3.93Å; L20-L290 HydrophobicContact CD2-CD1 3.36Å; L20-L290 HydrophobicContact CD2-CG 4.18Å
21	A	98.5	Very high	97.1	Very high	15 Å²	15	50.2 Å²	50.2	12%	0.124	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	136.9	169.9	0	0	0	0	0	110.5	L32 I33 A65	A21-L32 WeakPolarHBondContact O-CD1 3.45Å; A21-I33 HydrophobicContact CB-CG2 3.9Å; A21-I33 PolarHBondContact N-O 3.33Å; A21-I33 VanDerWaalsContact N-O 3.09Å; A21-I33 WeakPolarHBondContact O-CG2 3.44Å; A21-I33 PolarHBondContact O-N 2.64Å; A21-A65 WeakPolarHBondContact CB-O 3.5Å
22	F	98.6	Very high	97.5	Very high	30 Å²	30	45.8 Å²	45.8	13%	0.132	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	152.4	166.9	-72.5	-81.9	0	0	0	110.4	Y30 F31 L32 R273 F274 L280 A282	F22-Y30 AromaticContact CD1-CD2 3.67Å; F22-Y30 HydrophobicContact CD1-CD2 3.67Å; F22-Y30 AromaticContact CD1-CE2 3.83Å; F22-Y30 HydrophobicContact CD1-CE2 3.83Å; F22-Y30 HydrophobicContact CE1-CD2 4.03Å; F22-Y30 AromaticContact CE1-CE2 3.7Å; F22-Y30 HydrophobicContact CE1-CE2 3.7Å; F22-F31 CarbonylContact C-O 3.55Å; F22-F31 VanDerWaalsContact CA-O 3.25Å; F22-F31 WeakPolarHBondContact CA-O 3.47Å; F22-F31 WeakPolarHBondContact CD1-O 3.42Å; F22-L32 HydrophobicContact CD1-CB 3.92Å; F22-L32 HydrophobicContact CD1-CD1 4.03Å; F22-L32 HydrophobicContact CD1-CG 4.49Å; F22-L32 HydrophobicContact CD2-CD1 4.17Å; F22-L32 HydrophobicContact CE1-CB 3.74Å; F22-L32 HydrophobicContact CE1-CD1 3.9Å; F22-L32 HydrophobicContact CE1-CD2 4.12Å; F22-L32 HydrophobicContact CE1-CG 4.14Å; F22-L32 HydrophobicContact CE2-CD1 4.02Å; F22-L32 HydrophobicContact CG-CD1 4.19Å; F22-L32 HydrophobicContact CZ-CB 4.48Å; F22-L32 HydrophobicContact CZ-CD1 3.9Å; F22-L32 HydrophobicContact CZ-CD2 4.11Å; F22-L32 HydrophobicContact CZ-CG 4.4Å; F22-R273 HydrophobicContact CD2-CB 4.05Å; F22-R273 HydrophobicContact CE2-CB 4.08Å; F22-R273 WeakPolarHBondContact CE2-O 3.08Å; F22-F274 WeakPolarHBondContact CD2-O 3.34Å; F22-F274 WeakPolarHBondContact CE2-O 3.39Å; F22-L280 HydrophobicContact CE1-CD1 4.22Å; F22-L280 HydrophobicContact CZ-CD1 3.67Å; F22-A282 HydrophobicContact CE2-CB 3.9Å; F22-A282 HydrophobicContact CZ-CB 3.72Å
23	S	98.5	Very high	97.9	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.042	23%	0.231	C	C	.	.			trans	-73.6	177.4	162.4	68.3	0	0	0	0	111.2	F31 P276	S23-F31 PolarHBondContact N-O 3.45Å; S23-F31 PolarHBondContact OG-N 2.96Å; S23-P276 WeakPolarHBondContact O-CG 3.33Å
24	G	97.3	Very high	98	Very high	17 Å²	17	43 Å²	43	18%	0.175	23%	0.227	C	C	.	.			trans	-68.9	174.8	159.6	0	0	0	0	0	111.8	T26 Y30 T69	G24-T26 PolarHBondContact O-N 3.33Å; G24-Y30 WeakPolarHBondContact O-CB 3.18Å; G24-T69 VanDerWaalsContact CA-O 3.28Å; G24-T69 WeakPolarHBondContact CA-O 3.23Å; G24-T69 PolarHBondContact N-O 2.81Å
25	I	97.6	Very high	98	Very high	114 Å²	114	37.6 Å²	37.6	59%	0.585	19%	0.194	S	C	*	.			trans	-74.9	121.5	170.7	-58.3	174.4	0	0	0	108.4	P276 D277	I25-P276 HydrophobicContact CG1-CB 4.01Å; I25-P276 HydrophobicContact CG1-CG 3.83Å; I25-D277 HydrophobicContact CD1-CB 4.13Å
26	T	97.5	Very high	98	Very high	18 Å²	18	30.2 Å²	30.2	11%	0.11	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-107.7	170.4	177.5	81.8	0	0	0	0	110.1	G24 Y28 G29 F31 D70 A71	G24-T26 PolarHBondContact O-N 3.33Å; T26-Y28 PolarHBondContact O-N 3.15Å; T26-Y28 PolarHBondContact OG1-N 3.29Å; T26-Y28 VanDerWaalsContact OG1-N 3.08Å; T26-G29 WeakPolarHBondContact CA-O 3.42Å; T26-G29 WeakPolarHBondContact CB-O 3.36Å; T26-G29 PolarHBondContact N-O 2.8Å; T26-G29 PolarHBondContact O-N 3.21Å; T26-G29 VanDerWaalsContact O-N 3.09Å; T26-G29 PolarHBondContact OG1-O 3.22Å; T26-F31 HydrophobicContact CG2-CE2 4.45Å; T26-D70 WeakPolarHBondContact CG2-O 3.25Å; T26-A71 HydrophobicContact CG2-CB 4.12Å
27	P	96.7	Very high	98	Very high	127 Å²	127	32.8 Å²	32.8	83%	0.825	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.8	170.9	-25.6	36.2	0	0	0	114.8
28	Y	95.1	Very high	98	Very high	190 Å²	190	34.2 Å²	34.2	75%	0.745	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	15.6	-179.6	-49.8	-69.5	0	0	0	112.8	T26	T26-Y28 PolarHBondContact O-N 3.15Å; T26-Y28 PolarHBondContact OG1-N 3.29Å; T26-Y28 VanDerWaalsContact OG1-N 3.08Å
29	G	96.8	Very high	98	Very high	27 Å²	27	33.5 Å²	33.5	28%	0.278	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	90.7	-150.5	-170.3	0	0	0	0	0	111.2	T26	T26-G29 WeakPolarHBondContact CA-O 3.42Å; T26-G29 WeakPolarHBondContact CB-O 3.36Å; T26-G29 PolarHBondContact N-O 2.8Å; T26-G29 PolarHBondContact O-N 3.21Å; T26-G29 VanDerWaalsContact O-N 3.09Å; T26-G29 PolarHBondContact OG1-O 3.22Å
30	Y	98.4	Very high	97.9	Very high	7 Å²	7	37.7 Å²	37.7	3%	0.027	20%	0.198	C	C	.	.			trans	-130.9	160.7	178.8	61	-90.8	0	0	0	109.9	F22 G24 G46 D47 P276 D277 Y301	F22-Y30 AromaticContact CD1-CD2 3.67Å; F22-Y30 HydrophobicContact CD1-CD2 3.67Å; F22-Y30 AromaticContact CD1-CE2 3.83Å; F22-Y30 HydrophobicContact CD1-CE2 3.83Å; F22-Y30 HydrophobicContact CE1-CD2 4.03Å; F22-Y30 AromaticContact CE1-CE2 3.7Å; F22-Y30 HydrophobicContact CE1-CE2 3.7Å; G24-Y30 WeakPolarHBondContact O-CB 3.18Å; Y30-G46 VanDerWaalsContact CE2-CA 3.49Å; Y30-G46 WeakPolarHBondContact CE2-O 3.3Å; Y30-G46 WeakPolarHBondContact O-CA 3.33Å; Y30-G46 PolarHBondContact O-N 3.38Å; Y30-D47 HydrophobicContact CE1-CB 4.25Å; Y30-D47 WeakPolarHBondContact OH-CA 3.27Å; Y30-P276 HydrophobicContact CD1-CG 4.16Å; Y30-P276 HydrophobicContact CD2-CG 4.09Å; Y30-P276 HydrophobicContact CG-CG 3.75Å; Y30-D277 WeakPolarHBondContact CE1-OD2 3.42Å; Y30-Y301 VanDerWaalsContact CE1-OH 3.32Å; Y30-Y301 WeakPolarHBondContact CE1-OH 3.18Å; Y30-Y301 PolarHBondContact OH-OH 3.43Å
31	F	98.8	Very high	98	Very high	32 Å²	32	37.6 Å²	37.6	14%	0.14	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.1	-171.7	-60	-85.1	0	0	0	110.9	F22 S23 T26 L43 R44 I52 L67 A71	F22-F31 CarbonylContact C-O 3.55Å; F22-F31 VanDerWaalsContact CA-O 3.25Å; F22-F31 WeakPolarHBondContact CA-O 3.47Å; F22-F31 WeakPolarHBondContact CD1-O 3.42Å; S23-F31 PolarHBondContact N-O 3.45Å; S23-F31 PolarHBondContact OG-N 2.96Å; T26-F31 HydrophobicContact CG2-CE2 4.45Å; F31-L43 HydrophobicContact CB-CD1 4Å; F31-R44 WeakPolarHBondContact CA-O 3.2Å; F31-I52 HydrophobicContact CD1-CD1 3.42Å; F31-I52 VanDerWaalsContact CD1-CD1 3.42Å; F31-I52 HydrophobicContact CE1-CD1 3.5Å; F31-I52 VanDerWaalsContact CE1-CD1 3.5Å; F31-L67 HydrophobicContact CB-CD1 3.85Å; F31-A71 HydrophobicContact CB-CB 4.32Å; F31-A71 HydrophobicContact CD2-CB 3.35Å; F31-A71 HydrophobicContact CE2-CB 3.99Å; F31-A71 HydrophobicContact CG-CB 4.13Å
32	L	98.8	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.9	178.6	175.8	59.4	0	0	0	109.2	L20 A21 F22 R44 A282 L290 L292	L20-L32 HydrophobicContact CB-CD1 4.32Å; L20-L32 HydrophobicContact CD2-CD1 4.23Å; A21-L32 WeakPolarHBondContact O-CD1 3.45Å; F22-L32 HydrophobicContact CD1-CB 3.92Å; F22-L32 HydrophobicContact CD1-CD1 4.03Å; F22-L32 HydrophobicContact CD1-CG 4.49Å; F22-L32 HydrophobicContact CD2-CD1 4.17Å; F22-L32 HydrophobicContact CE1-CB 3.74Å; F22-L32 HydrophobicContact CE1-CD1 3.9Å; F22-L32 HydrophobicContact CE1-CD2 4.12Å; F22-L32 HydrophobicContact CE1-CG 4.14Å; F22-L32 HydrophobicContact CE2-CD1 4.02Å; F22-L32 HydrophobicContact CG-CD1 4.19Å; F22-L32 HydrophobicContact CZ-CB 4.48Å; F22-L32 HydrophobicContact CZ-CD1 3.9Å; F22-L32 HydrophobicContact CZ-CD2 4.11Å; F22-L32 HydrophobicContact CZ-CG 4.4Å; L32-R44 HydrophobicContact CB-CB 4.38Å; L32-R44 PolarHBondContact N-O 3.08Å; L32-R44 PolarHBondContact O-N 3.12Å; L32-A282 HydrophobicContact CD1-CB 4.3Å; L32-A282 HydrophobicContact CD2-CB 3.7Å; L32-L290 HydrophobicContact CD2-CD1 3.92Å; L32-L290 HydrophobicContact CD2-CD2 3.9Å; L32-L290 HydrophobicContact CG-CD1 4.49Å; L32-L292 HydrophobicContact CD2-CD2 3.92Å
33	I	98.9	Very high	98	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140.9	168.3	-166.4	169.7	0	0	0	110.6	L20 A21 M42 F55 A65 L67 A74 T76	L20-I33 WeakPolarHBondContact CA-O 3.47Å; A21-I33 HydrophobicContact CB-CG2 3.9Å; A21-I33 PolarHBondContact N-O 3.33Å; A21-I33 VanDerWaalsContact N-O 3.09Å; A21-I33 WeakPolarHBondContact O-CG2 3.44Å; A21-I33 PolarHBondContact O-N 2.64Å; I33-M42 WeakPolarHBondContact CA-O 3.28Å; I33-F55 HydrophobicContact CD1-CD2 4.12Å; I33-F55 HydrophobicContact CD1-CE2 3.66Å; I33-F55 HydrophobicContact CG1-CE2 4.37Å; I33-A65 HydrophobicContact CD1-CB 3.99Å; I33-A65 HydrophobicContact CG1-CB 3.94Å; I33-A65 HydrophobicContact CG2-CB 4.1Å; I33-L67 HydrophobicContact CB-CD1 4.05Å; I33-L67 HydrophobicContact CB-CD2 4.49Å; I33-L67 HydrophobicContact CB-CG 3.94Å; I33-L67 HydrophobicContact CD1-CD2 4.49Å; I33-L67 HydrophobicContact CG2-CD1 4.16Å; I33-L67 HydrophobicContact CG2-CG 3.79Å; I33-A74 HydrophobicContact CD1-CB 3.76Å; I33-T76 HydrophobicContact CD1-CG2 4.46Å
34	S	98.8	Very high	98	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.7	177.5	55.5	0	0	0	0	112.7	H13 P41 M42	H13-S34 PolarHBondContact NE2-OG 3.36Å; S34-P41 WeakPolarHBondContact O-CA 3.4Å; S34-P41 WeakPolarHBondContact O-CB 3.44Å; S34-M42 PolarHBondContact N-O 2.72Å; S34-M42 PolarHBondContact O-N 3.24Å; S34-M42 PolarHBondContact OG-O 3.37Å
35	A	98.6	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.4	170.7	0	0	0	0	0	110.5	V17 V18 D19 V62 A65	V17-A35 WeakPolarHBondContact CA-O 3.37Å; V18-A35 HydrophobicContact CG2-CB 4.29Å; V18-A35 PolarHBondContact N-O 3.16Å; D19-A35 HydrophobicContact CB-CB 3.79Å; D19-A35 PolarHBondContact O-N 3.48Å; A35-V62 HydrophobicContact CB-CB 4.43Å; A35-V62 HydrophobicContact CB-CG1 3.9Å; A35-A65 HydrophobicContact CB-CB 3.86Å
36	C	97.9	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148.5	-176.6	-179.2	0	0	0	0	112.5	H13 R15 P16 D38 G39 V62	H13-C36 HydrophobicContact CB-CB 4.39Å; H13-C36 WeakPolarHBondContact CE1-CB 3.42Å; H13-C36 WeakPolarHBondContact ND1-CB 3.48Å; H13-C36 PolarHBondContact ND1-SG 2.63Å; R15-C36 VanDerWaalsContact C-SG 3.54Å; R15-C36 PolarHBondContact O-SG 3.11Å; P16-C36 WeakPolarHBondContact O-CA 3.33Å; P16-C36 PolarHBondContact O-SG 3.37Å; C36-D38 VanDerWaalsContact CB-OD1 3.31Å; C36-D38 WeakPolarHBondContact CB-OD1 3.46Å; C36-D38 PolarHBondContact O-N 3.01Å; C36-D38 VanDerWaalsContact O-N 3.13Å; C36-D38 PolarHBondContact SG-N 2.85Å; C36-D38 VanDerWaalsContact SG-N 3.36Å; C36-D38 PolarHBondContact SG-OD1 2.77Å; C36-D38 PolarHBondContact SG-OD2 2.78Å; C36-G39 PolarHBondContact O-N 3.43Å; C36-G39 VanDerWaalsContact O-N 3.17Å; C36-V62 CarbonylContact C-O 3.53Å; C36-V62 PolarHBondContact N-O 2.76Å; C36-V62 PolarHBondContact O-N 2.62Å
37	K	98.4	Very high	98	Very high	66 Å²	66	33.4 Å²	33.4	29%	0.287	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-4.3	174.5	-63.9	-175.5	-166.5	160.9	0	114	R15 P16 V18 G39 A61 E286	R15-K37 HydrophobicContact CB-CB 3.95Å; P16-K37 HydrophobicContact CB-CD 3.8Å; P16-K37 HydrophobicContact CB-CG 4.17Å; P16-K37 HydrophobicContact CG-CD 3.89Å; P16-K37 PolarHBondContact O-N 3.48Å; V18-K37 HydrophobicContact CG1-CD 4.32Å; V18-K37 HydrophobicContact CG1-CG 3.97Å; K37-G39 VanDerWaalsContact C-N 3.27Å; K37-A61 HydrophobicContact CB-CB 4.08Å; K37-A61 HydrophobicContact CG-CB 4.25Å; K37-E286 IonicContact NZ-OE1 3.23Å; K37-E286 IonicContact NZ-OE2 2.78Å; K37-E286 PolarHBondContact NZ-OE2 3.05Å
38	D	97.8	Very high	98	Very high	31 Å²	31	28.3 Å²	28.3	17%	0.166	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.5	172	64.2	12.8	0	0	0	113.5	H13 T14 R15 C36 K40	H13-D38 WeakPolarHBondContact CA-OD2 3.39Å; H13-D38 IonicContact CG-OD2 2.68Å; H13-D38 IonicContact ND1-OD1 3.98Å; H13-D38 IonicContact ND1-OD2 3.79Å; H13-D38 PolarHBondContact ND1-OD2 3.05Å; T14-D38 PolarHBondContact N-OD2 2.88Å; T14-D38 WeakPolarHBondContact OG1-CB 3.03Å; T14-D38 PolarHBondContact OG1-OD2 3.5Å; R15-D38 HydrophobicContact CB-CB 3.83Å; R15-D38 HydrophobicContact CG-CB 3.75Å; C36-D38 VanDerWaalsContact CB-OD1 3.31Å; C36-D38 WeakPolarHBondContact CB-OD1 3.46Å; C36-D38 PolarHBondContact O-N 3.01Å; C36-D38 VanDerWaalsContact O-N 3.13Å; C36-D38 PolarHBondContact SG-N 2.85Å; C36-D38 VanDerWaalsContact SG-N 3.36Å; C36-D38 PolarHBondContact SG-OD1 2.77Å; C36-D38 PolarHBondContact SG-OD2 2.78Å; D38-K40 VanDerWaalsContact C-N 3.32Å; D38-K40 WeakPolarHBondContact OD1-CB 3.32Å; D38-K40 PolarHBondContact OD1-N 3.02Å
39	G	98	Very high	98.1	Very high	8 Å²	8	19.5 Å²	19.5	8%	0.082	10%	0.102	C	C	.	.	S	Bend	trans	80.8	9.3	178.6	0	0	0	0	0	114.3	C36 K37 P41 G60	C36-G39 PolarHBondContact O-N 3.43Å; C36-G39 VanDerWaalsContact O-N 3.17Å; K37-G39 VanDerWaalsContact C-N 3.27Å; G39-P41 WeakPolarHBondContact O-CD 3.35Å; G39-G60 WeakPolarHBondContact CA-O 3.47Å
40	K	97.9	Very high	98.1	Very high	102 Å²	102	22.3 Å²	22.3	44%	0.443	11%	0.111	S	C	.	.			trans	-123.2	79	-172.7	-65.2	-178.5	-176.6	179.3	0	111.3	H13 D38 M42 T54 L56	H13-K40 PolarHBondContact CE1-O 2.94Å; D38-K40 VanDerWaalsContact C-N 3.32Å; D38-K40 WeakPolarHBondContact OD1-CB 3.32Å; D38-K40 PolarHBondContact OD1-N 3.02Å; K40-M42 WeakPolarHBondContact O-CG 3.41Å; K40-T54 HydrophobicContact CB-CG2 3.73Å; K40-T54 HydrophobicContact CG-CG2 4.39Å; K40-L56 HydrophobicContact CG-CD2 4.34Å
41	P	98.4	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.138	C	C	.	.			trans	-63.3	139.4	176.5	20.1	-21.6	0	0	0	110.6	S34 G39 T54 F55 V62 T76	S34-P41 WeakPolarHBondContact O-CA 3.4Å; S34-P41 WeakPolarHBondContact O-CB 3.44Å; G39-P41 WeakPolarHBondContact O-CD 3.35Å; P41-T54 WeakPolarHBondContact O-CA 3.49Å; P41-F55 HydrophobicContact CG-CB 4.17Å; P41-F55 PolarHBondContact O-N 2.89Å; P41-V62 HydrophobicContact CB-CG1 4.35Å; P41-V62 HydrophobicContact CG-CB 4.44Å; P41-V62 HydrophobicContact CG-CG1 4.21Å; P41-V62 HydrophobicContact CG-CG2 3.95Å; P41-T76 HydrophobicContact CB-CG2 3.89Å; P41-T76 HydrophobicContact CG-CG2 3.6Å
42	M	98.7	Very high	98	Very high	11 Å²	11	31.6 Å²	31.6	5%	0.054	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.6	-172	-65.5	-178.5	-179.7	0	0	111	G12 I33 S34 K40 G53 T54	G12-M42 VanDerWaalsContact C-CE 3.47Å; G12-M42 WeakPolarHBondContact O-CE 3.2Å; I33-M42 WeakPolarHBondContact CA-O 3.28Å; S34-M42 PolarHBondContact N-O 2.72Å; S34-M42 PolarHBondContact O-N 3.24Å; S34-M42 PolarHBondContact OG-O 3.37Å; K40-M42 WeakPolarHBondContact O-CG 3.41Å; M42-G53 WeakPolarHBondContact CA-O 3.45Å; M42-T54 HydrophobicContact CG-CG2 4.25Å
43	L	98.8	Very high	97.9	Very high	11 Å²	11	32.5 Å²	32.5	6%	0.058	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.4	170.6	-175.3	62.6	0	0	0	109.5	F31 I52 G53 F55 L67 A88	F31-L43 HydrophobicContact CB-CD1 4Å; L43-I52 HydrophobicContact CD2-CG2 4.23Å; L43-I52 HydrophobicContact CG-CB 4.33Å; L43-I52 HydrophobicContact CG-CD1 4.41Å; L43-I52 PolarHBondContact O-N 3.3Å; L43-G53 PolarHBondContact N-O 3.1Å; L43-G53 PolarHBondContact O-N 2.96Å; L43-F55 HydrophobicContact CB-CE2 4.02Å; L43-F55 HydrophobicContact CB-CZ 4.3Å; L43-F55 HydrophobicContact CD2-CZ 4.39Å; L43-L67 HydrophobicContact CD1-CD1 3.78Å; L43-L67 HydrophobicContact CD1-CD2 3.99Å; L43-L67 HydrophobicContact CD1-CG 4.46Å; L43-A88 HydrophobicContact CD2-CB 4.47Å; L43-A88 WeakPolarHBondContact CD2-O 3.17Å
44	R	98.6	Very high	97.9	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.8	-177.8	-64	176.9	-179.4	-80.3	-7.7	111.8	S11 F31 L32 G46 G49 D50	S11-R44 PolarHBondContact O-NH1 3.04Å; S11-R44 PolarHBondContact O-NH2 3.09Å; F31-R44 WeakPolarHBondContact CA-O 3.2Å; L32-R44 HydrophobicContact CB-CB 4.38Å; L32-R44 PolarHBondContact N-O 3.08Å; L32-R44 PolarHBondContact O-N 3.12Å; R44-G46 PolarHBondContact O-N 3.2Å; R44-G49 PolarHBondContact NH1-O 3.04Å; R44-D50 CarbonylContact C-O 3.48Å; R44-D50 WeakPolarHBondContact CA-O 3.41Å; R44-D50 VanDerWaalsContact CB-O 3.31Å; R44-D50 WeakPolarHBondContact CB-O 3.2Å
45	Q	98.2	Very high	97.9	Very high	41 Å²	41	34.7 Å²	34.7	19%	0.192	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	127.6	164.6	-175.7	59.7	33.6	0	0	108.3	D47 T48 G49 D50 I52	Q45-D47 WeakPolarHBondContact CG-OD1 3.35Å; Q45-D47 PolarHBondContact NE2-OD1 3.46Å; Q45-T48 WeakPolarHBondContact CB-OG1 3.17Å; Q45-T48 HydrophobicContact CG-CG2 4.49Å; Q45-T48 WeakPolarHBondContact CG-OG1 3.3Å; Q45-G49 WeakPolarHBondContact O-CA 3.27Å; Q45-G49 PolarHBondContact O-N 2.78Å; Q45-D50 HydrophobicContact CB-CB 4.13Å; Q45-D50 PolarHBondContact N-O 2.78Å; Q45-I52 HydrophobicContact CB-CD1 4.23Å
46	G	97.5	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-32.3	-164.5	0	0	0	0	0	114.7	Y30 R44	Y30-G46 VanDerWaalsContact CE2-CA 3.49Å; Y30-G46 WeakPolarHBondContact CE2-O 3.3Å; Y30-G46 WeakPolarHBondContact O-CA 3.33Å; Y30-G46 PolarHBondContact O-N 3.38Å; R44-G46 PolarHBondContact O-N 3.2Å
47	D	96.4	Very high	97.8	Very high	44 Å²	44	42.3 Å²	42.3	24%	0.235	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-29.7	-178.1	60.6	-36.6	0	0	0	113.2	Y30 Q45 Y301	Y30-D47 HydrophobicContact CE1-CB 4.25Å; Y30-D47 WeakPolarHBondContact OH-CA 3.27Å; Q45-D47 WeakPolarHBondContact CG-OD1 3.35Å; Q45-D47 PolarHBondContact NE2-OD1 3.46Å; D47-Y301 HydrophobicContact CB-CE1 4.08Å
48	T	96.6	Very high	97.8	Very high	20 Å²	20	40.2 Å²	40.2	12%	0.123	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-25.5	-179.6	66.6	0	0	0	0	113.9	Q45 D50 L303	Q45-T48 WeakPolarHBondContact CB-OG1 3.17Å; Q45-T48 HydrophobicContact CG-CG2 4.49Å; Q45-T48 WeakPolarHBondContact CG-OG1 3.3Å; T48-D50 VanDerWaalsContact CB-OD2 3.29Å; T48-D50 WeakPolarHBondContact CB-OD2 3.41Å; T48-D50 WeakPolarHBondContact OG1-CB 3.48Å; T48-D50 PolarHBondContact OG1-N 3.48Å; T48-D50 PolarHBondContact OG1-OD2 2.99Å; T48-L303 HydrophobicContact CG2-CD2 3.96Å; T48-L303 HydrophobicContact CG2-CG 4.01Å; T48-L303 WeakPolarHBondContact O-CD1 3.5Å
49	G	96.9	Very high	97.8	Very high	4 Å²	4	48.1 Å²	48.1	4%	0.041	25%	0.245	C	C	.	.			trans	78.6	6.3	-172.7	0	0	0	0	0	114.1	R44 Q45 W51	R44-G49 PolarHBondContact NH1-O 3.04Å; Q45-G49 WeakPolarHBondContact O-CA 3.27Å; Q45-G49 PolarHBondContact O-N 2.78Å; G49-W51 PolarHBondContact O-N 2.51Å
50	D	96.9	Very high	97.8	Very high	86 Å²	86	48.7 Å²	48.7	46%	0.46	25%	0.252	S	S	.	.			trans	-59.2	137.2	179.3	-68.3	-38.2	0	0	0	110.6	R44 Q45 T48 I52	R44-D50 CarbonylContact C-O 3.48Å; R44-D50 WeakPolarHBondContact CA-O 3.41Å; R44-D50 VanDerWaalsContact CB-O 3.31Å; R44-D50 WeakPolarHBondContact CB-O 3.2Å; Q45-D50 HydrophobicContact CB-CB 4.13Å; Q45-D50 PolarHBondContact N-O 2.78Å; T48-D50 VanDerWaalsContact CB-OD2 3.29Å; T48-D50 WeakPolarHBondContact CB-OD2 3.41Å; T48-D50 WeakPolarHBondContact OG1-CB 3.48Å; T48-D50 PolarHBondContact OG1-N 3.48Å; T48-D50 PolarHBondContact OG1-OD2 2.99Å; D50-I52 PolarHBondContact O-N 2.89Å
51	W	97.6	Very high	97.8	Very high	156 Å²	156	44.8 Å²	44.8	59%	0.591	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.6	178.8	173.1	73.5	0	0	0	110.5	G49 G53 T54	G49-W51 PolarHBondContact O-N 2.51Å; W51-G53 PolarHBondContact NE1-O 2.58Å; W51-G53 VanDerWaalsContact NE1-O 3.11Å; W51-T54 PolarHBondContact NE1-OG1 2.98Å; W51-T54 VanDerWaalsContact NE1-OG1 3.13Å
52	I	97.9	Very high	97.9	Very high	78 Å²	78	44.8 Å²	44.8	40%	0.4	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-47.8	175.9	-62.8	174.6	0	0	0	109.9	F31 L43 Q45 D50	F31-I52 HydrophobicContact CD1-CD1 3.42Å; F31-I52 VanDerWaalsContact CD1-CD1 3.42Å; F31-I52 HydrophobicContact CE1-CD1 3.5Å; F31-I52 VanDerWaalsContact CE1-CD1 3.5Å; L43-I52 HydrophobicContact CD2-CG2 4.23Å; L43-I52 HydrophobicContact CG-CB 4.33Å; L43-I52 HydrophobicContact CG-CD1 4.41Å; L43-I52 PolarHBondContact O-N 3.3Å; Q45-I52 HydrophobicContact CB-CD1 4.23Å; D50-I52 PolarHBondContact O-N 2.89Å
53	G	97.9	Very high	97.9	Very high	20 Å²	20	47.9 Å²	47.9	21%	0.206	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	167.3	-172.8	0	0	0	0	0	113.8	M42 L43 W51	M42-G53 WeakPolarHBondContact CA-O 3.45Å; L43-G53 PolarHBondContact N-O 3.1Å; L43-G53 PolarHBondContact O-N 2.96Å; W51-G53 PolarHBondContact NE1-O 2.58Å; W51-G53 VanDerWaalsContact NE1-O 3.11Å
54	T	98.4	Very high	97.9	Very high	39 Å²	39	47.3 Å²	47.3	24%	0.239	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.6	174.9	-52.9	0	0	0	0	108.5	K40 P41 M42 W51 L56	K40-T54 HydrophobicContact CB-CG2 3.73Å; K40-T54 HydrophobicContact CG-CG2 4.39Å; P41-T54 WeakPolarHBondContact O-CA 3.49Å; M42-T54 HydrophobicContact CG-CG2 4.25Å; W51-T54 PolarHBondContact NE1-OG1 2.98Å; W51-T54 VanDerWaalsContact NE1-OG1 3.13Å; T54-L56 HydrophobicContact CG2-CD2 3.86Å; T54-L56 HydrophobicContact CG2-CG 4.4Å; T54-L56 PolarHBondContact O-N 3.19Å
55	F	98.4	Very high	97.9	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.026	25%	0.246	C	C	.	.			trans	-81.3	109.3	175.3	-58.6	-74.2	0	0	0	109.2	I33 P41 L43 A74 W86 A88	I33-F55 HydrophobicContact CD1-CD2 4.12Å; I33-F55 HydrophobicContact CD1-CE2 3.66Å; I33-F55 HydrophobicContact CG1-CE2 4.37Å; P41-F55 HydrophobicContact CG-CB 4.17Å; P41-F55 PolarHBondContact O-N 2.89Å; L43-F55 HydrophobicContact CB-CE2 4.02Å; L43-F55 HydrophobicContact CB-CZ 4.3Å; L43-F55 HydrophobicContact CD2-CZ 4.39Å; F55-A74 HydrophobicContact CE1-CB 4.24Å; F55-A74 HydrophobicContact CE2-CB 3.84Å; F55-A74 HydrophobicContact CZ-CB 3.61Å; F55-W86 HydrophobicContact CB-CD2 3.73Å; F55-W86 HydrophobicContact CB-CE3 3.82Å; F55-W86 HydrophobicContact CB-CG 4.34Å; F55-W86 HydrophobicContact CB-CH2 4Å; F55-W86 HydrophobicContact CB-CZ2 3.9Å; F55-W86 HydrophobicContact CB-CZ3 3.96Å; F55-W86 HydrophobicContact CD1-CB 3.6Å; F55-W86 AromaticContact CD1-CD2 3.64Å; F55-W86 HydrophobicContact CD1-CD2 3.64Å; F55-W86 AromaticContact CD1-CE3 3.78Å; F55-W86 HydrophobicContact CD1-CE3 3.78Å; F55-W86 AromaticContact CD1-CG 3.57Å; F55-W86 HydrophobicContact CD1-CG 3.57Å; F55-W86 HydrophobicContact CE1-CB 3.59Å; F55-W86 HydrophobicContact CE1-CG 4.01Å; F55-W86 HydrophobicContact CG-CB 4.46Å; F55-W86 AromaticContact CG-CD2 3.9Å; F55-W86 HydrophobicContact CG-CD2 3.9Å; F55-W86 HydrophobicContact CG-CE3 4.21Å; F55-W86 HydrophobicContact CG-CG 4Å; F55-W86 HydrophobicContact CZ-CB 4.44Å; F55-A88 HydrophobicContact CZ-CB 4.32Å
56	L	97.9	Very high	97.9	Very high	124 Å²	124	45.8 Å²	45.8	65%	0.649	24%	0.241	S	C	*	.			trans	-100.4	123.7	-175.9	-63.7	175.3	0	0	0	110.2	K40 T54	K40-L56 HydrophobicContact CG-CD2 4.34Å; T54-L56 HydrophobicContact CG2-CD2 3.86Å; T54-L56 HydrophobicContact CG2-CG 4.4Å; T54-L56 PolarHBondContact O-N 3.19Å
57	G	96.8	Very high	98	Very high	37 Å²	37	46.3 Å²	46.3	38%	0.381	24%	0.243	S	C	.	.			trans	166.9	-26.6	175.3	0	0	0	0	0	114.4
58	H	98.5	Very high	98	Very high	21 Å²	21	44.5 Å²	44.5	10%	0.097	23%	0.234	C	C	.	.			trans	-69.5	144.7	176.4	-78.3	-59.2	0	0	0	112.9	V62 T76 A78 D80 T82	H58-V62 HydrophobicContact CB-CG2 4.04Å; H58-T76 PolarHBondContact CD2-OG1 2.89Å; H58-T76 PolarHBondContact NE2-OG1 3.47Å; H58-A78 HydrophobicContact CB-CB 4.29Å; H58-A78 WeakPolarHBondContact CE1-CB 3.28Å; H58-A78 WeakPolarHBondContact ND1-CB 3.48Å; H58-D80 WeakPolarHBondContact CA-OD2 3.42Å; H58-D80 WeakPolarHBondContact CB-OD2 3.28Å; H58-D80 IonicContact CE1-OD1 3.61Å; H58-D80 IonicContact CG-OD2 2.68Å; H58-D80 IonicContact ND1-OD1 3.51Å; H58-D80 PolarHBondContact ND1-OD1 3.4Å; H58-D80 IonicContact ND1-OD2 3.35Å; H58-D80 PolarHBondContact ND1-OD2 3.15Å; H58-T82 PolarHBondContact CE1-OG1 3.27Å; H58-T82 VanDerWaalsContact CE1-OG1 3.23Å; H58-T82 PolarHBondContact ND1-OG1 3.45Å
59	K	97.8	Very high	98	Very high	197 Å²	197	47.5 Å²	47.5	86%	0.857	25%	0.252	S	S	*	.	S	Bend	trans	-106.4	7.6	179.7	-62.4	-179.7	-177.4	174.2	0	113.4	D80	K59-D80 HydrophobicContact CB-CB 4.03Å; K59-D80 PolarHBondContact N-OD2 2.98Å
60	G	98	Very high	98	Very high	21 Å²	21	51.4 Å²	51.4	22%	0.216	27%	0.272	C	S	.	.	S	Bend	trans	-152.6	178.3	-179.9	0	0	0	0	0	111.5	G39 V62	G39-G60 WeakPolarHBondContact CA-O 3.47Å; G60-V62 PolarHBondContact O-N 3.1Å
61	A	98.7	Very high	98.1	Very high	19 Å²	19	47.8 Å²	47.8	16%	0.157	25%	0.254	C	S	.	.			trans	-52.1	131.5	177.1	0	0	0	0	0	111.6	K37 A78 A79	K37-A61 HydrophobicContact CB-CB 4.08Å; K37-A61 HydrophobicContact CG-CB 4.25Å; A61-A78 CarbonylContact O-C 3.57Å; A61-A78 VanDerWaalsContact O-CA 3.28Å; A61-A78 WeakPolarHBondContact O-CA 3.19Å; A61-A78 WeakPolarHBondContact O-CB 3.48Å; A61-A79 HydrophobicContact CB-CB 4.18Å; A61-A79 WeakPolarHBondContact O-CB 3.35Å; A61-A79 PolarHBondContact O-N 3.39Å
62	V	98.8	Very high	98.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	122.6	169.9	-176.2	0	0	0	0	108.1	V18 A35 C36 P41 H58 G60 G64 T76 A77 A78	V18-V62 WeakPolarHBondContact CG2-O 3.43Å; A35-V62 HydrophobicContact CB-CB 4.43Å; A35-V62 HydrophobicContact CB-CG1 3.9Å; C36-V62 CarbonylContact C-O 3.53Å; C36-V62 PolarHBondContact N-O 2.76Å; C36-V62 PolarHBondContact O-N 2.62Å; P41-V62 HydrophobicContact CB-CG1 4.35Å; P41-V62 HydrophobicContact CG-CB 4.44Å; P41-V62 HydrophobicContact CG-CG1 4.21Å; P41-V62 HydrophobicContact CG-CG2 3.95Å; H58-V62 HydrophobicContact CB-CG2 4.04Å; G60-V62 PolarHBondContact O-N 3.1Å; V62-G64 WeakPolarHBondContact CG1-O 3.2Å; V62-T76 HydrophobicContact CG1-CG2 4.41Å; V62-A77 CarbonylContact C-O 3.47Å; V62-A77 WeakPolarHBondContact CA-O 3.49Å; V62-A77 WeakPolarHBondContact CG1-O 3.45Å; V62-A78 HydrophobicContact CG2-CB 4.09Å
63	W	98.8	Very high	98.1	Very high	76 Å²	76	42.4 Å²	42.4	29%	0.288	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-28.7	-174.4	-72.2	103.1	0	0	0	113.4	V18 D19 A77 K104	V18-W63 HydrophobicContact CG2-CE3 4.32Å; D19-W63 WeakPolarHBondContact CB-O 2.91Å; W63-A77 PolarHBondContact N-O 2.85Å; W63-K104 HydrophobicContact CB-CB 4.35Å; W63-K104 HydrophobicContact CB-CG 4.33Å; W63-K104 HydrophobicContact CG-CG 4.39Å
64	G	98.6	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.3	179.2	0	0	0	0	0	111.2	D19 V62 T76 A77	D19-G64 WeakPolarHBondContact OD2-CA 3.06Å; V62-G64 WeakPolarHBondContact CG1-O 3.2Å; G64-T76 CarbonylContact O-C 3.43Å; G64-T76 WeakPolarHBondContact O-CA 3.43Å; G64-A77 PolarHBondContact N-O 3.44Å; G64-A77 PolarHBondContact O-N 2.77Å
65	A	98.7	Very high	98.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.9	174.6	0	0	0	0	0	110.5	D19 A21 I33 A35 A75 T76	D19-A65 PolarHBondContact OD2-N 3.01Å; A21-A65 WeakPolarHBondContact CB-O 3.5Å; I33-A65 HydrophobicContact CD1-CB 3.99Å; I33-A65 HydrophobicContact CG1-CB 3.94Å; I33-A65 HydrophobicContact CG2-CB 4.1Å; A35-A65 HydrophobicContact CB-CB 3.86Å; A65-A75 CarbonylContact C-O 3.56Å; A65-A75 VanDerWaalsContact CA-O 3.3Å; A65-A75 WeakPolarHBondContact CA-O 3.37Å; A65-T76 HydrophobicContact CB-CG2 4.22Å
66	T	98.8	Very high	98.2	Very high	13 Å²	13	39.3 Å²	39.3	8%	0.08	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.4	179.8	-168.6	0	0	0	0	110.6	A74 A75 V106 F108	T66-A74 CarbonylContact O-C 3.57Å; T66-A74 WeakPolarHBondContact O-CA 3.33Å; T66-A75 HydrophobicContact CG2-CB 3.89Å; T66-A75 PolarHBondContact N-O 3.05Å; T66-A75 PolarHBondContact O-N 2.8Å; T66-V106 HydrophobicContact CG2-CB 4.28Å; T66-V106 HydrophobicContact CG2-CG2 4.12Å; T66-F108 HydrophobicContact CG2-CD2 3.86Å; T66-F108 HydrophobicContact CG2-CE2 4.01Å
67	L	98.8	Very high	98.3	Very high	10 Å²	10	33.4 Å²	33.4	5%	0.052	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	149.3	167.2	-70.5	166.1	0	0	0	108	F31 I33 L43 K73 A74 A88	F31-L67 HydrophobicContact CB-CD1 3.85Å; I33-L67 HydrophobicContact CB-CD1 4.05Å; I33-L67 HydrophobicContact CB-CD2 4.49Å; I33-L67 HydrophobicContact CB-CG 3.94Å; I33-L67 HydrophobicContact CD1-CD2 4.49Å; I33-L67 HydrophobicContact CG2-CD1 4.16Å; I33-L67 HydrophobicContact CG2-CG 3.79Å; L43-L67 HydrophobicContact CD1-CD1 3.78Å; L43-L67 HydrophobicContact CD1-CD2 3.99Å; L43-L67 HydrophobicContact CD1-CG 4.46Å; L67-K73 WeakPolarHBondContact CA-O 3.38Å; L67-A74 HydrophobicContact CD2-CB 3.85Å; L67-A88 HydrophobicContact CD2-CB 4.21Å
68	N	98	Very high	98.3	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.032	17%	0.165	C	C	.	.			trans	-74.8	170.7	164.5	72.3	-26.4	0	0	0	111	D70 A71 T72 K73 F108 S112	N68-D70 VanDerWaalsContact C-N 3.28Å; N68-D70 PolarHBondContact ND2-OD1 2.55Å; N68-D70 PolarHBondContact O-N 3.08Å; N68-D70 PolarHBondContact OD1-OD1 3.28Å; N68-A71 PolarHBondContact O-N 2.98Å; N68-A71 PolarHBondContact OD1-N 3.32Å; N68-T72 PolarHBondContact ND2-OG1 2.98Å; N68-T72 PolarHBondContact OD1-N 3.05Å; N68-K73 HydrophobicContact CB-CB 4.45Å; N68-K73 PolarHBondContact N-O 3.38Å; N68-K73 PolarHBondContact OD1-N 2.91Å; N68-K73 PolarHBondContact OD1-O 3.24Å; N68-K73 VanDerWaalsContact OD1-O 3.11Å; N68-F108 HydrophobicContact CB-CB 4.47Å; N68-F108 HydrophobicContact CB-CD2 3.9Å; N68-F108 HydrophobicContact CB-CE2 4.36Å; N68-F108 HydrophobicContact CB-CG 4.25Å; N68-S112 VanDerWaalsContact CB-OG 3.26Å; N68-S112 WeakPolarHBondContact CB-OG 3.37Å; N68-S112 PolarHBondContact ND2-OG 2.94Å
69	T	96.1	Very high	98.4	Very high	84 Å²	84	32 Å²	32	52%	0.515	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-37.3	-171.3	-53.3	0	0	0	0	113.4	G24 A71	G24-T69 VanDerWaalsContact CA-O 3.28Å; G24-T69 WeakPolarHBondContact CA-O 3.23Å; G24-T69 PolarHBondContact N-O 2.81Å; T69-A71 VanDerWaalsContact C-N 3.33Å
70	D	97.1	Very high	98.4	Very high	85 Å²	85	24.3 Å²	24.3	46%	0.455	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2.4	-179	66.8	12.6	0	0	0	114	T26 N68 T72	T26-D70 WeakPolarHBondContact CG2-O 3.25Å; N68-D70 VanDerWaalsContact C-N 3.28Å; N68-D70 PolarHBondContact ND2-OD1 2.55Å; N68-D70 PolarHBondContact O-N 3.08Å; N68-D70 PolarHBondContact OD1-OD1 3.28Å; D70-T72 HydrophobicContact CB-CG2 4.29Å; D70-T72 VanDerWaalsContact CG-OG1 3.23Å; D70-T72 PolarHBondContact O-N 2.5Å; D70-T72 VanDerWaalsContact OD1-CB 3.32Å; D70-T72 WeakPolarHBondContact OD1-CB 3.45Å; D70-T72 WeakPolarHBondContact OD1-CG2 3.49Å; D70-T72 PolarHBondContact OD1-N 3.33Å; D70-T72 PolarHBondContact OD1-OG1 3.15Å; D70-T72 PolarHBondContact OD2-OG1 3.24Å
71	A	98.1	Very high	98.4	Very high	11 Å²	11	27.4 Å²	27.4	9%	0.091	15%	0.147	C	C	.	.	S	Bend	trans	56.9	22.6	-176.9	0	0	0	0	0	115.2	T26 F31 N68 T69 A88	T26-A71 HydrophobicContact CG2-CB 4.12Å; F31-A71 HydrophobicContact CB-CB 4.32Å; F31-A71 HydrophobicContact CD2-CB 3.35Å; F31-A71 HydrophobicContact CE2-CB 3.99Å; F31-A71 HydrophobicContact CG-CB 4.13Å; N68-A71 PolarHBondContact O-N 2.98Å; N68-A71 PolarHBondContact OD1-N 3.32Å; T69-A71 VanDerWaalsContact C-N 3.33Å; A71-A88 WeakPolarHBondContact O-CB 3.34Å
72	T	98	Very high	98.4	Very high	53 Å²	53	27.5 Å²	27.5	33%	0.325	15%	0.146	S	C	.	.	S	Bend	trans	-89.8	-19.9	177.1	64.7	0	0	0	0	113	N68 D70 A88	N68-T72 PolarHBondContact ND2-OG1 2.98Å; N68-T72 PolarHBondContact OD1-N 3.05Å; D70-T72 HydrophobicContact CB-CG2 4.29Å; D70-T72 VanDerWaalsContact CG-OG1 3.23Å; D70-T72 PolarHBondContact O-N 2.5Å; D70-T72 VanDerWaalsContact OD1-CB 3.32Å; D70-T72 WeakPolarHBondContact OD1-CB 3.45Å; D70-T72 WeakPolarHBondContact OD1-CG2 3.49Å; D70-T72 PolarHBondContact OD1-N 3.33Å; D70-T72 PolarHBondContact OD1-OG1 3.15Å; D70-T72 PolarHBondContact OD2-OG1 3.24Å; T72-A88 PolarHBondContact O-N 2.68Å
73	K	98.5	Very high	98.4	Very high	68 Å²	68	27.5 Å²	27.5	30%	0.296	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.4	175.9	-60.8	-175.3	-174.2	-178.9	0	111.2	L67 N68 W86 F108 S112	L67-K73 WeakPolarHBondContact CA-O 3.38Å; N68-K73 HydrophobicContact CB-CB 4.45Å; N68-K73 PolarHBondContact N-O 3.38Å; N68-K73 PolarHBondContact OD1-N 2.91Å; N68-K73 PolarHBondContact OD1-O 3.24Å; N68-K73 VanDerWaalsContact OD1-O 3.11Å; K73-W86 WeakPolarHBondContact CA-O 3.1Å; K73-F108 HydrophobicContact CB-CE1 4.49Å; K73-F108 HydrophobicContact CB-CE2 4.25Å; K73-F108 HydrophobicContact CB-CZ 3.89Å; K73-S112 PolarHBondContact NZ-O 2.92Å
74	A	98.8	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	152.2	166.8	0	0	0	0	0	110.2	I33 F55 T66 L67 V85 W86 A88	I33-A74 HydrophobicContact CD1-CB 3.76Å; F55-A74 HydrophobicContact CE1-CB 4.24Å; F55-A74 HydrophobicContact CE2-CB 3.84Å; F55-A74 HydrophobicContact CZ-CB 3.61Å; T66-A74 CarbonylContact O-C 3.57Å; T66-A74 WeakPolarHBondContact O-CA 3.33Å; L67-A74 HydrophobicContact CD2-CB 3.85Å; A74-V85 CarbonylContact O-C 3.5Å; A74-V85 WeakPolarHBondContact O-CA 3.21Å; A74-W86 HydrophobicContact CB-CB 4.21Å; A74-W86 HydrophobicContact CB-CG 4.48Å; A74-W86 PolarHBondContact N-O 2.84Å; A74-W86 PolarHBondContact O-N 2.96Å; A74-A88 HydrophobicContact CB-CB 4.34Å
75	A	98.9	Very high	98.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.6	166.1	0	0	0	0	0	111	A65 T66 K84 V106 F108 L115	A65-A75 CarbonylContact C-O 3.56Å; A65-A75 VanDerWaalsContact CA-O 3.3Å; A65-A75 WeakPolarHBondContact CA-O 3.37Å; T66-A75 HydrophobicContact CG2-CB 3.89Å; T66-A75 PolarHBondContact N-O 3.05Å; T66-A75 PolarHBondContact O-N 2.8Å; A75-K84 CarbonylContact C-O 3.59Å; A75-K84 WeakPolarHBondContact CA-O 3.49Å; A75-V106 HydrophobicContact CB-CB 4.07Å; A75-V106 HydrophobicContact CB-CG1 4.3Å; A75-V106 HydrophobicContact CB-CG2 4.35Å; A75-F108 HydrophobicContact CB-CE1 4.31Å; A75-F108 HydrophobicContact CB-CE2 3.64Å; A75-F108 HydrophobicContact CB-CZ 3.52Å; A75-L115 HydrophobicContact CB-CD1 3.53Å; A75-L115 HydrophobicContact CB-CD2 4.22Å
76	T	98.9	Very high	98.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.1	-177.2	56.6	0	0	0	0	110.8	I33 P41 H58 V62 G64 A65 A83 K84 W86	I33-T76 HydrophobicContact CD1-CG2 4.46Å; P41-T76 HydrophobicContact CB-CG2 3.89Å; P41-T76 HydrophobicContact CG-CG2 3.6Å; H58-T76 PolarHBondContact CD2-OG1 2.89Å; H58-T76 PolarHBondContact NE2-OG1 3.47Å; V62-T76 HydrophobicContact CG1-CG2 4.41Å; G64-T76 CarbonylContact O-C 3.43Å; G64-T76 WeakPolarHBondContact O-CA 3.43Å; A65-T76 HydrophobicContact CB-CG2 4.22Å; T76-A83 CarbonylContact O-C 3.6Å; T76-A83 WeakPolarHBondContact O-CA 3.45Å; T76-K84 PolarHBondContact N-O 3.22Å; T76-K84 PolarHBondContact O-N 3.39Å; T76-W86 PolarHBondContact OG1-NE1 2.82Å
77	A	98.9	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.9	-179.5	0	0	0	0	0	110.1	V62 W63 G64 V103 V106	V62-A77 CarbonylContact C-O 3.47Å; V62-A77 WeakPolarHBondContact CA-O 3.49Å; V62-A77 WeakPolarHBondContact CG1-O 3.45Å; W63-A77 PolarHBondContact N-O 2.85Å; G64-A77 PolarHBondContact N-O 3.44Å; G64-A77 PolarHBondContact O-N 2.77Å; A77-V103 CarbonylContact C-O 3.56Å; A77-V103 HydrophobicContact CB-CB 3.87Å; A77-V103 HydrophobicContact CB-CG1 3.66Å; A77-V106 HydrophobicContact CB-CB 4.46Å; A77-V106 HydrophobicContact CB-CG1 3.87Å; A77-V106 HydrophobicContact CB-CG2 4.02Å
78	A	98.8	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	167.5	-168.7	0	0	0	0	0	116.4	H58 A61 V62 D80 F81 T82 V103	H58-A78 HydrophobicContact CB-CB 4.29Å; H58-A78 WeakPolarHBondContact CE1-CB 3.28Å; H58-A78 WeakPolarHBondContact ND1-CB 3.48Å; A61-A78 CarbonylContact O-C 3.57Å; A61-A78 VanDerWaalsContact O-CA 3.28Å; A61-A78 WeakPolarHBondContact O-CA 3.19Å; A61-A78 WeakPolarHBondContact O-CB 3.48Å; V62-A78 HydrophobicContact CG2-CB 4.09Å; A78-D80 WeakPolarHBondContact CB-OD1 3.38Å; A78-D80 PolarHBondContact O-N 2.82Å; A78-F81 PolarHBondContact O-N 3.25Å; A78-T82 PolarHBondContact N-O 2.91Å; A78-V103 PolarHBondContact N-O 3.07Å; A78-V103 PolarHBondContact O-N 2.68Å
79	A	98.7	Very high	98.4	Very high	27 Å²	27	32.2 Å²	32.2	22%	0.223	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-9.4	178.5	0	0	0	0	0	114.3	A61 F81 I102	A61-A79 HydrophobicContact CB-CB 4.18Å; A61-A79 WeakPolarHBondContact O-CB 3.35Å; A61-A79 PolarHBondContact O-N 3.39Å; A79-F81 WeakPolarHBondContact O-CD1 3.3Å; A79-F81 WeakPolarHBondContact O-CE1 3.38Å; A79-F81 PolarHBondContact O-N 2.81Å; A79-I102 HydrophobicContact CB-CD1 4.31Å; A79-I102 HydrophobicContact CB-CG1 4.27Å; A79-I102 HydrophobicContact CB-CG2 4.41Å
80	D	98.6	Very high	98.4	Very high	37 Å²	37	31.4 Å²	31.4	20%	0.198	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	11.9	171.5	64.2	9.2	0	0	0	113.1	H58 K59 A78 T82	H58-D80 WeakPolarHBondContact CA-OD2 3.42Å; H58-D80 WeakPolarHBondContact CB-OD2 3.28Å; H58-D80 IonicContact CE1-OD1 3.61Å; H58-D80 IonicContact CG-OD2 2.68Å; H58-D80 IonicContact ND1-OD1 3.51Å; H58-D80 PolarHBondContact ND1-OD1 3.4Å; H58-D80 IonicContact ND1-OD2 3.35Å; H58-D80 PolarHBondContact ND1-OD2 3.15Å; K59-D80 HydrophobicContact CB-CB 4.03Å; K59-D80 PolarHBondContact N-OD2 2.98Å; A78-D80 WeakPolarHBondContact CB-OD1 3.38Å; A78-D80 PolarHBondContact O-N 2.82Å; D80-T82 VanDerWaalsContact CG-OG1 3.32Å; D80-T82 PolarHBondContact O-N 2.68Å; D80-T82 PolarHBondContact OD1-N 3.25Å; D80-T82 PolarHBondContact OD1-OG1 3.31Å; D80-T82 PolarHBondContact OD2-OG1 3.29Å
81	F	98.7	Very high	98.4	Very high	85 Å²	85	28.9 Å²	28.9	37%	0.373	17%	0.173	S	C	.	.	S	Bend	trans	65.7	27.6	178.5	-45.8	-17	0	0	0	112.6	A78 A79 H99 I102	A78-F81 PolarHBondContact O-N 3.25Å; A79-F81 WeakPolarHBondContact O-CD1 3.3Å; A79-F81 WeakPolarHBondContact O-CE1 3.38Å; A79-F81 PolarHBondContact O-N 2.81Å; F81-H99 WeakPolarHBondContact O-CA 3.19Å; F81-H99 WeakPolarHBondContact O-CB 3.42Å; F81-H99 PolarHBondContact O-N 3.37Å; F81-I102 HydrophobicContact CD1-CB 4.45Å; F81-I102 HydrophobicContact CD1-CG1 3.93Å; F81-I102 HydrophobicContact CE1-CG1 3.61Å
82	T	98.7	Very high	98.4	Very high	22 Å²	22	33.3 Å²	33.3	14%	0.135	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.8	173.5	68	0	0	0	0	111.7	H58 A78 D80 L97	H58-T82 PolarHBondContact CE1-OG1 3.27Å; H58-T82 VanDerWaalsContact CE1-OG1 3.23Å; H58-T82 PolarHBondContact ND1-OG1 3.45Å; A78-T82 PolarHBondContact N-O 2.91Å; D80-T82 VanDerWaalsContact CG-OG1 3.32Å; D80-T82 PolarHBondContact O-N 2.68Å; D80-T82 PolarHBondContact OD1-N 3.25Å; D80-T82 PolarHBondContact OD1-OG1 3.31Å; D80-T82 PolarHBondContact OD2-OG1 3.29Å; T82-L97 VanDerWaalsContact CA-O 3.27Å; T82-L97 WeakPolarHBondContact CA-O 3.48Å
83	A	98.8	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139.7	153	0	0	0	0	0	108.2	T76 L97 V103 V106 T117	T76-A83 CarbonylContact O-C 3.6Å; T76-A83 WeakPolarHBondContact O-CA 3.45Å; A83-L97 HydrophobicContact CB-CB 4.34Å; A83-L97 HydrophobicContact CB-CD1 4.49Å; A83-L97 PolarHBondContact N-O 2.92Å; A83-L97 WeakPolarHBondContact O-CB 3.4Å; A83-L97 PolarHBondContact O-N 2.88Å; A83-V103 HydrophobicContact CB-CG1 4.31Å; A83-V106 HydrophobicContact CB-CG1 3.96Å; A83-T117 HydrophobicContact CB-CG2 3.9Å
84	K	98.8	Very high	98.4	Very high	14 Å²	14	35.6 Å²	35.6	6%	0.061	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.6	178.1	-69.8	178	178.2	-68.7	0	110.4	A75 T76 W86 E93 L95 S96	A75-K84 CarbonylContact C-O 3.59Å; A75-K84 WeakPolarHBondContact CA-O 3.49Å; T76-K84 PolarHBondContact N-O 3.22Å; T76-K84 PolarHBondContact O-N 3.39Å; K84-W86 HydrophobicContact CB-CH2 4.48Å; K84-W86 HydrophobicContact CB-CZ2 3.62Å; K84-W86 HydrophobicContact CD-CH2 3.68Å; K84-W86 HydrophobicContact CD-CZ2 3.45Å; K84-W86 VanDerWaalsContact CD-CZ2 3.45Å; K84-W86 HydrophobicContact CG-CZ2 4.17Å; K84-E93 HydrophobicContact CD-CG 4.5Å; K84-E93 WeakPolarHBondContact CD-OE2 3.18Å; K84-E93 WeakPolarHBondContact CE-OE2 3.43Å; K84-E93 IonicContact NZ-OE1 3.3Å; K84-E93 PolarHBondContact NZ-OE1 3.02Å; K84-E93 IonicContact NZ-OE2 2.79Å; K84-E93 PolarHBondContact NZ-OE2 2.94Å; K84-L95 CarbonylContact C-O 3.56Å; K84-L95 VanDerWaalsContact CA-O 3.27Å; K84-L95 WeakPolarHBondContact CA-O 3.25Å; K84-S96 PolarHBondContact NZ-OG 2.82Å
85	V	98.8	Very high	98.4	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.6	169.6	-178.8	0	0	0	0	107.6	A74 V94 L95 F108 L115 L129	A74-V85 CarbonylContact O-C 3.5Å; A74-V85 WeakPolarHBondContact O-CA 3.21Å; V85-V94 PolarHBondContact O-N 2.92Å; V85-L95 HydrophobicContact CB-CB 4.14Å; V85-L95 HydrophobicContact CG2-CB 4.43Å; V85-L95 PolarHBondContact N-O 2.79Å; V85-L95 PolarHBondContact O-N 3.27Å; V85-L95 VanDerWaalsContact O-N 3.09Å; V85-F108 HydrophobicContact CG1-CE1 4.33Å; V85-F108 HydrophobicContact CG1-CZ 4.19Å; V85-L115 HydrophobicContact CG2-CD2 3.75Å; V85-L129 HydrophobicContact CG2-CD2 4.09Å
86	W	98.8	Very high	98.3	Very high	2 Å²	2	40 Å²	40	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.2	-175.3	-42.9	82.1	0	0	0	109.7	F55 K73 A74 T76 K84 A88 D92 E93	F55-W86 HydrophobicContact CB-CD2 3.73Å; F55-W86 HydrophobicContact CB-CE3 3.82Å; F55-W86 HydrophobicContact CB-CG 4.34Å; F55-W86 HydrophobicContact CB-CH2 4Å; F55-W86 HydrophobicContact CB-CZ2 3.9Å; F55-W86 HydrophobicContact CB-CZ3 3.96Å; F55-W86 HydrophobicContact CD1-CB 3.6Å; F55-W86 AromaticContact CD1-CD2 3.64Å; F55-W86 HydrophobicContact CD1-CD2 3.64Å; F55-W86 AromaticContact CD1-CE3 3.78Å; F55-W86 HydrophobicContact CD1-CE3 3.78Å; F55-W86 AromaticContact CD1-CG 3.57Å; F55-W86 HydrophobicContact CD1-CG 3.57Å; F55-W86 HydrophobicContact CE1-CB 3.59Å; F55-W86 HydrophobicContact CE1-CG 4.01Å; F55-W86 HydrophobicContact CG-CB 4.46Å; F55-W86 AromaticContact CG-CD2 3.9Å; F55-W86 HydrophobicContact CG-CD2 3.9Å; F55-W86 HydrophobicContact CG-CE3 4.21Å; F55-W86 HydrophobicContact CG-CG 4Å; F55-W86 HydrophobicContact CZ-CB 4.44Å; K73-W86 WeakPolarHBondContact CA-O 3.1Å; A74-W86 HydrophobicContact CB-CB 4.21Å; A74-W86 HydrophobicContact CB-CG 4.48Å; A74-W86 PolarHBondContact N-O 2.84Å; A74-W86 PolarHBondContact O-N 2.96Å; T76-W86 PolarHBondContact OG1-NE1 2.82Å; K84-W86 HydrophobicContact CB-CH2 4.48Å; K84-W86 HydrophobicContact CB-CZ2 3.62Å; K84-W86 HydrophobicContact CD-CH2 3.68Å; K84-W86 HydrophobicContact CD-CZ2 3.45Å; K84-W86 VanDerWaalsContact CD-CZ2 3.45Å; K84-W86 HydrophobicContact CG-CZ2 4.17Å; W86-A88 PolarHBondContact O-N 2.87Å; W86-D92 CarbonylContact C-O 3.59Å; W86-D92 VanDerWaalsContact CA-O 3.28Å; W86-D92 WeakPolarHBondContact CA-O 3.43Å; W86-E93 HydrophobicContact CE3-CB 3.87Å; W86-E93 HydrophobicContact CE3-CG 4.41Å; W86-E93 HydrophobicContact CZ3-CB 3.77Å; W86-E93 HydrophobicContact CZ3-CG 4.26Å
87	D	98.4	Very high	98.3	Very high	57 Å²	57	40.7 Å²	40.7	31%	0.305	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	115.5	158.8	-173.9	-73.4	0	0	0	106.9	V89 S90 G91 D92 V94	D87-V89 PolarHBondContact O-N 2.83Å; D87-V89 WeakPolarHBondContact OD1-CA 3.45Å; D87-V89 WeakPolarHBondContact OD1-CB 3.43Å; D87-V89 PolarHBondContact OD1-N 3.08Å; D87-S90 PolarHBondContact OD1-N 3.25Å; D87-S90 PolarHBondContact OD1-OG 3.2Å; D87-G91 CarbonylContact O-C 3.53Å; D87-G91 WeakPolarHBondContact O-CA 3.39Å; D87-G91 PolarHBondContact O-N 3.43Å; D87-D92 PolarHBondContact N-O 3.41Å; D87-V94 HydrophobicContact CB-CG2 3.89Å; D87-V94 VanDerWaalsContact N-CG2 3.31Å
88	A	98.1	Very high	98.3	Very high	10 Å²	10	44.7 Å²	44.7	8%	0.083	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.3	-175.3	0	0	0	0	0	112.7	L43 F55 L67 A71 T72 A74 W86	L43-A88 HydrophobicContact CD2-CB 4.47Å; L43-A88 WeakPolarHBondContact CD2-O 3.17Å; F55-A88 HydrophobicContact CZ-CB 4.32Å; L67-A88 HydrophobicContact CD2-CB 4.21Å; A71-A88 WeakPolarHBondContact O-CB 3.34Å; T72-A88 PolarHBondContact O-N 2.68Å; A74-A88 HydrophobicContact CB-CB 4.34Å; W86-A88 PolarHBondContact O-N 2.87Å
89	V	97.4	Very high	98.2	Very high	117 Å²	117	45.5 Å²	45.5	71%	0.709	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-49	179.1	-175.5	0	0	0	0	110.4	D87	D87-V89 PolarHBondContact O-N 2.83Å; D87-V89 WeakPolarHBondContact OD1-CA 3.45Å; D87-V89 WeakPolarHBondContact OD1-CB 3.43Å; D87-V89 PolarHBondContact OD1-N 3.08Å
90	S	97.7	Very high	98.2	Very high	67 Å²	67	52.4 Å²	52.4	47%	0.469	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-26.6	177.9	76.6	0	0	0	0	113.1	D87 D92	D87-S90 PolarHBondContact OD1-N 3.25Å; D87-S90 PolarHBondContact OD1-OG 3.2Å; S90-D92 VanDerWaalsContact C-N 3.33Å; S90-D92 WeakPolarHBondContact CB-OD2 3.32Å; S90-D92 WeakPolarHBondContact OG-CB 3.16Å; S90-D92 PolarHBondContact OG-N 3.25Å; S90-D92 PolarHBondContact OG-OD2 3.24Å
91	G	97	Very high	98.2	Very high	32 Å²	32	54.2 Å²	54.2	33%	0.33	31%	0.309	S	S	.	.			trans	85.2	3.3	-173	0	0	0	0	0	114.1	D87	D87-G91 CarbonylContact O-C 3.53Å; D87-G91 WeakPolarHBondContact O-CA 3.39Å; D87-G91 PolarHBondContact O-N 3.43Å
92	D	98.2	Very high	98.2	Very high	104 Å²	104	51.8 Å²	51.8	56%	0.556	30%	0.3	S	S	*	.			trans	-73.5	144.4	-177.3	-64.9	-47.7	0	0	0	112.1	W86 D87 S90 V94	W86-D92 CarbonylContact C-O 3.59Å; W86-D92 VanDerWaalsContact CA-O 3.28Å; W86-D92 WeakPolarHBondContact CA-O 3.43Å; D87-D92 PolarHBondContact N-O 3.41Å; S90-D92 VanDerWaalsContact C-N 3.33Å; S90-D92 WeakPolarHBondContact CB-OD2 3.32Å; S90-D92 WeakPolarHBondContact OG-CB 3.16Å; S90-D92 PolarHBondContact OG-N 3.25Å; S90-D92 PolarHBondContact OG-OD2 3.24Å; D92-V94 PolarHBondContact O-N 2.76Å
93	E	98.4	Very high	98.2	Very high	86 Å²	86	50.8 Å²	50.8	40%	0.402	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	118.6	169.3	-174.8	178.5	132.3	0	0	109.6	K84 W86 S96	K84-E93 HydrophobicContact CD-CG 4.5Å; K84-E93 WeakPolarHBondContact CD-OE2 3.18Å; K84-E93 WeakPolarHBondContact CE-OE2 3.43Å; K84-E93 IonicContact NZ-OE1 3.3Å; K84-E93 PolarHBondContact NZ-OE1 3.02Å; K84-E93 IonicContact NZ-OE2 2.79Å; K84-E93 PolarHBondContact NZ-OE2 2.94Å; W86-E93 HydrophobicContact CE3-CB 3.87Å; W86-E93 HydrophobicContact CE3-CG 4.41Å; W86-E93 HydrophobicContact CZ3-CB 3.77Å; W86-E93 HydrophobicContact CZ3-CG 4.26Å; E93-S96 VanDerWaalsContact OE1-CB 3.32Å; E93-S96 WeakPolarHBondContact OE1-CB 3.49Å
94	V	97.8	Very high	98.2	Very high	84 Å²	84	52.3 Å²	52.3	51%	0.509	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-43.9	179.8	-177.2	0	0	0	0	110.6	V85 D87 D92	V85-V94 PolarHBondContact O-N 2.92Å; D87-V94 HydrophobicContact CB-CG2 3.89Å; D87-V94 VanDerWaalsContact N-CG2 3.31Å; D92-V94 PolarHBondContact O-N 2.76Å
95	L	97.8	Very high	98.2	Very high	34 Å²	34	51.6 Å²	51.6	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147.7	179.6	-65.2	171.3	0	0	0	111.8	K84 V85 L129 P132	K84-L95 CarbonylContact C-O 3.56Å; K84-L95 VanDerWaalsContact CA-O 3.27Å; K84-L95 WeakPolarHBondContact CA-O 3.25Å; V85-L95 HydrophobicContact CB-CB 4.14Å; V85-L95 HydrophobicContact CG2-CB 4.43Å; V85-L95 PolarHBondContact N-O 2.79Å; V85-L95 PolarHBondContact O-N 3.27Å; V85-L95 VanDerWaalsContact O-N 3.09Å; L95-L129 HydrophobicContact CD1-CD2 3.9Å; L95-P132 HydrophobicContact CD1-CB 4.08Å; L95-P132 HydrophobicContact CD2-CB 3.44Å; L95-P132 VanDerWaalsContact CD2-CB 3.44Å; L95-P132 HydrophobicContact CD2-CG 4.24Å; L95-P132 HydrophobicContact CG-CB 4.42Å
96	S	98.1	Very high	98.2	Very high	58 Å²	58	51.6 Å²	51.6	41%	0.406	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	112.8	171.1	-174.6	0	0	0	0	110.1	K84 E93	K84-S96 PolarHBondContact NZ-OG 2.82Å; E93-S96 VanDerWaalsContact OE1-CB 3.32Å; E93-S96 WeakPolarHBondContact OE1-CB 3.49Å
97	L	98.1	Very high	98.2	Very high	15 Å²	15	53 Å²	53	8%	0.079	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	113.7	-174	-52.5	172.7	0	0	0	108.9	T82 A83 L115 Y127	T82-L97 VanDerWaalsContact CA-O 3.27Å; T82-L97 WeakPolarHBondContact CA-O 3.48Å; A83-L97 HydrophobicContact CB-CB 4.34Å; A83-L97 HydrophobicContact CB-CD1 4.49Å; A83-L97 PolarHBondContact N-O 2.92Å; A83-L97 WeakPolarHBondContact O-CB 3.4Å; A83-L97 PolarHBondContact O-N 2.88Å; L97-L115 HydrophobicContact CD1-CD2 3.72Å; L97-Y127 HydrophobicContact CB-CE1 4.14Å; L97-Y127 HydrophobicContact CB-CE2 4.42Å; L97-Y127 HydrophobicContact CD1-CD1 4.01Å; L97-Y127 HydrophobicContact CD1-CD2 3.73Å; L97-Y127 HydrophobicContact CD1-CE1 4.26Å; L97-Y127 HydrophobicContact CD1-CE2 3.97Å; L97-Y127 HydrophobicContact CD1-CG 3.73Å; L97-Y127 HydrophobicContact CD2-CD1 3.8Å; L97-Y127 HydrophobicContact CD2-CE1 3.99Å; L97-Y127 HydrophobicContact CD2-CG 4.32Å; L97-Y127 HydrophobicContact CG-CD1 4.36Å; L97-Y127 HydrophobicContact CG-CE1 4.35Å
98	A	97.8	Very high	98.2	Very high	83 Å²	83	50.9 Å²	50.9	69%	0.686	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.2	-176.9	0	0	0	0	0	112.1
99	H	98.4	Very high	98.2	Very high	18 Å²	18	50.9 Å²	50.9	8%	0.083	29%	0.291	C	S	.	.			trans	-119.6	165.9	176	-75.8	-117.3	0	0	0	111	F81 H101 V103 T117 R125 Y127	F81-H99 WeakPolarHBondContact O-CA 3.19Å; F81-H99 WeakPolarHBondContact O-CB 3.42Å; F81-H99 PolarHBondContact O-N 3.37Å; H99-H101 VanDerWaalsContact C-N 3.31Å; H99-H101 WeakPolarHBondContact CB-O 3.42Å; H99-V103 HydrophobicContact CB-CG2 3.7Å; H99-V103 VanDerWaalsContact CG-CG2 3.42Å; H99-T117 PolarHBondContact CE1-OG1 2.82Å; H99-R125 PolarHBondContact CE1-NH1 3.01Å; H99-R125 PolarHBondContact ND1-NH1 3.25Å; H99-Y127 AromaticContact NE2-CE2 3.77Å; H99-Y127 AromaticContact NE2-CZ 3.78Å; H99-Y127 PolarHBondContact NE2-OH 2.85Å
100	K	97.9	Very high	98	Very high	171 Å²	171	51.4 Å²	51.4	74%	0.743	29%	0.286	S	S	*	.	S	Bend	trans	-81.2	-13	177.3	-67	179.2	-178.8	169.9	0	113.3	D121	K100-D121 HydrophobicContact CB-CB 4.5Å
101	H	98.6	Very high	97.9	Very high	75 Å²	75	52.6 Å²	52.6	35%	0.347	29%	0.287	S	S	.	.	S	Bend	trans	-156.5	177.1	180	-151.9	-74	0	0	0	110.1	H99 V103 N120 D121	H99-H101 VanDerWaalsContact C-N 3.31Å; H99-H101 WeakPolarHBondContact CB-O 3.42Å; H101-V103 PolarHBondContact O-N 3.34Å; H101-N120 HydrophobicContact CB-CB 4.04Å; H101-N120 PolarHBondContact CE1-ND2 3.02Å; H101-N120 WeakPolarHBondContact ND1-CB 3.24Å; H101-D121 HydrophobicContact CB-CB 4.04Å
102	I	98.7	Very high	97.9	Very high	35 Å²	35	51.6 Å²	51.6	18%	0.179	28%	0.275	C	S	.	.			trans	-43.3	126.8	174.8	-58	179.6	0	0	0	111.3	A79 F81 K104 G119 N120	A79-I102 HydrophobicContact CB-CD1 4.31Å; A79-I102 HydrophobicContact CB-CG1 4.27Å; A79-I102 HydrophobicContact CB-CG2 4.41Å; F81-I102 HydrophobicContact CD1-CB 4.45Å; F81-I102 HydrophobicContact CD1-CG1 3.93Å; F81-I102 HydrophobicContact CE1-CG1 3.61Å; I102-K104 HydrophobicContact CG2-CG 4Å; I102-G119 WeakPolarHBondContact O-CA 3.29Å; I102-N120 HydrophobicContact CB-CB 4.28Å; I102-N120 PolarHBondContact O-N 2.82Å
103	V	98.8	Very high	97.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.1	170.1	-161.3	0	0	0	0	108.1	A77 A78 A83 H99 H101	A77-V103 CarbonylContact C-O 3.56Å; A77-V103 HydrophobicContact CB-CB 3.87Å; A77-V103 HydrophobicContact CB-CG1 3.66Å; A78-V103 PolarHBondContact N-O 3.07Å; A78-V103 PolarHBondContact O-N 2.68Å; A83-V103 HydrophobicContact CB-CG1 4.31Å; H99-V103 HydrophobicContact CB-CG2 3.7Å; H99-V103 VanDerWaalsContact CG-CG2 3.42Å; H101-V103 PolarHBondContact O-N 3.34Å
104	K	98.6	Very high	97.7	Very high	32 Å²	32	47.8 Å²	47.8	14%	0.139	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-23.8	-177.2	-64	-172.6	73.3	160.8	0	113.7	W63 I102 G118 N120 E163	W63-K104 HydrophobicContact CB-CB 4.35Å; W63-K104 HydrophobicContact CB-CG 4.33Å; W63-K104 HydrophobicContact CG-CG 4.39Å; I102-K104 HydrophobicContact CG2-CG 4Å; K104-G118 PolarHBondContact N-O 2.66Å; K104-N120 VanDerWaalsContact CD-OD1 3.28Å; K104-N120 WeakPolarHBondContact CD-OD1 3.17Å; K104-E163 IonicContact NZ-OE1 3.64Å; K104-E163 PolarHBondContact NZ-OE1 3.1Å
105	S	98.6	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	141.9	-174	-169.9	0	0	0	0	111.4	T117 G118 S149	S105-T117 VanDerWaalsContact O-CA 3.27Å; S105-T117 WeakPolarHBondContact O-CA 3.15Å; S105-G118 PolarHBondContact N-O 3.38Å; S105-G118 PolarHBondContact O-N 3.5Å; S105-G118 VanDerWaalsContact O-N 3.12Å; S105-S149 WeakPolarHBondContact CB-OG 3.34Å; S105-S149 PolarHBondContact OG-N 3.48Å; S105-S149 PolarHBondContact OG-O 3.29Å; S105-S149 PolarHBondContact OG-OG 3.31Å
106	V	98.8	Very high	97.8	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	136.7	173.6	-86.2	0	0	0	0	108.5	T66 A75 A77 A83 L115 L116 T117	T66-V106 HydrophobicContact CG2-CB 4.28Å; T66-V106 HydrophobicContact CG2-CG2 4.12Å; A75-V106 HydrophobicContact CB-CB 4.07Å; A75-V106 HydrophobicContact CB-CG1 4.3Å; A75-V106 HydrophobicContact CB-CG2 4.35Å; A77-V106 HydrophobicContact CB-CB 4.46Å; A77-V106 HydrophobicContact CB-CG1 3.87Å; A77-V106 HydrophobicContact CB-CG2 4.02Å; A83-V106 HydrophobicContact CB-CG1 3.96Å; V106-L115 HydrophobicContact CB-CD1 4.31Å; V106-L115 HydrophobicContact CG1-CD1 4.46Å; V106-L115 HydrophobicContact CG1-CD2 4.24Å; V106-L116 CarbonylContact C-O 3.49Å; V106-L116 VanDerWaalsContact CA-O 3.25Å; V106-L116 WeakPolarHBondContact CA-O 3.45Å; V106-T117 HydrophobicContact CG1-CG2 3.98Å
107	N	98.7	Very high	97.9	Very high	30 Å²	30	39.4 Å²	39.4	16%	0.16	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	131.2	175.1	-166.1	-127.4	0	0	0	110.9	L116 W151	N107-L116 PolarHBondContact N-O 2.66Å; N107-L116 PolarHBondContact O-N 2.84Å; N107-W151 PolarHBondContact O-NE1 2.95Å; N107-W151 PolarHBondContact OD1-N 2.97Å
108	F	98.6	Very high	97.9	Very high	13 Å²	13	38.7 Å²	38.7	6%	0.057	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	149.1	175.4	-69.5	-72.5	0	0	0	110.9	T66 N68 K73 A75 V85 C114 L115 L129 W151	T66-F108 HydrophobicContact CG2-CD2 3.86Å; T66-F108 HydrophobicContact CG2-CE2 4.01Å; N68-F108 HydrophobicContact CB-CB 4.47Å; N68-F108 HydrophobicContact CB-CD2 3.9Å; N68-F108 HydrophobicContact CB-CE2 4.36Å; N68-F108 HydrophobicContact CB-CG 4.25Å; K73-F108 HydrophobicContact CB-CE1 4.49Å; K73-F108 HydrophobicContact CB-CE2 4.25Å; K73-F108 HydrophobicContact CB-CZ 3.89Å; A75-F108 HydrophobicContact CB-CE1 4.31Å; A75-F108 HydrophobicContact CB-CE2 3.64Å; A75-F108 HydrophobicContact CB-CZ 3.52Å; V85-F108 HydrophobicContact CG1-CE1 4.33Å; V85-F108 HydrophobicContact CG1-CZ 4.19Å; F108-C114 WeakPolarHBondContact CA-O 3.38Å; F108-L115 HydrophobicContact CD1-CD1 3.76Å; F108-L115 HydrophobicContact CE1-CD1 3.76Å; F108-L115 HydrophobicContact CG-CD1 4.17Å; F108-L115 HydrophobicContact CZ-CD1 4.17Å; F108-L129 HydrophobicContact CD1-CD1 3.96Å; F108-L129 HydrophobicContact CE1-CD1 3.67Å; F108-W151 VanDerWaalsContact C-CD1 3.47Å; F108-W151 VanDerWaalsContact O-CD1 3.26Å
109	T	97.8	Very high	97.9	Very high	10 Å²	10	34.7 Å²	34.7	6%	0.061	17%	0.171	C	C	.	.			trans	-63.9	159.4	156.8	49.7	0	0	0	0	110.3	D111 S112 N113 C114 W151 D155	T109-D111 WeakPolarHBondContact CB-OD1 3.41Å; T109-D111 PolarHBondContact O-N 3.01Å; T109-D111 PolarHBondContact OG1-OD1 2.87Å; T109-S112 WeakPolarHBondContact O-CA 3.31Å; T109-S112 PolarHBondContact O-N 2.83Å; T109-N113 PolarHBondContact OG1-N 2.77Å; T109-C114 HydrophobicContact CG2-CB 3.64Å; T109-C114 PolarHBondContact N-O 3.11Å; T109-C114 PolarHBondContact OG1-N 2.89Å; T109-C114 PolarHBondContact OG1-O 2.86Å; T109-W151 HydrophobicContact CG2-CD2 3.76Å; T109-W151 VanDerWaalsContact CG2-CE2 3.41Å; T109-W151 HydrophobicContact CG2-CE3 4.25Å; T109-W151 HydrophobicContact CG2-CG 4.18Å; T109-W151 HydrophobicContact CG2-CH2 4.15Å; T109-W151 HydrophobicContact CG2-CZ2 3.66Å; T109-W151 HydrophobicContact CG2-CZ3 4.41Å; T109-D155 VanDerWaalsContact CB-OD2 3.3Å; T109-D155 WeakPolarHBondContact CB-OD2 3.45Å; T109-D155 HydrophobicContact CG2-CB 4.02Å
110	Q	94.7	Very high	97.9	Very high	128 Å²	128	36 Å²	36	60%	0.598	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-37.1	-179.5	-171.9	176.1	10.9	0	0	112.2	S112 D155	Q110-S112 PolarHBondContact O-N 2.87Å; Q110-D155 WeakPolarHBondContact CB-OD2 3.48Å; Q110-D155 PolarHBondContact N-OD1 2.82Å; Q110-D155 PolarHBondContact N-OD2 3.31Å
111	D	94.6	Very high	97.9	Very high	93 Å²	93	29.3 Å²	29.3	50%	0.497	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.7	175.9	71.1	-2.7	0	0	0	114.1	T109 N113	T109-D111 WeakPolarHBondContact CB-OD1 3.41Å; T109-D111 PolarHBondContact O-N 3.01Å; T109-D111 PolarHBondContact OG1-OD1 2.87Å; D111-N113 PolarHBondContact O-N 3.38Å; D111-N113 VanDerWaalsContact O-N 3.14Å; D111-N113 WeakPolarHBondContact OD1-CB 3.16Å; D111-N113 PolarHBondContact OD1-N 2.85Å; D111-N113 PolarHBondContact OD2-ND2 2.87Å
112	S	96.1	Very high	97.9	Very high	11 Å²	11	30.2 Å²	30.2	8%	0.077	15%	0.154	C	C	.	.	S	Bend	trans	57.1	21.9	-177.9	-49.4	0	0	0	0	114.8	N68 K73 T109 Q110	N68-S112 VanDerWaalsContact CB-OG 3.26Å; N68-S112 WeakPolarHBondContact CB-OG 3.37Å; N68-S112 PolarHBondContact ND2-OG 2.94Å; K73-S112 PolarHBondContact NZ-O 2.92Å; T109-S112 WeakPolarHBondContact O-CA 3.31Å; T109-S112 PolarHBondContact O-N 2.83Å; Q110-S112 PolarHBondContact O-N 2.87Å
113	N	96.1	Very high	97.9	Very high	79 Å²	79	30 Å²	30	42%	0.422	15%	0.153	S	C	.	.	S	Bend	trans	-87.5	-25.8	176.6	-71.4	-35.4	0	0	0	112.4	T109 D111 L129	T109-N113 PolarHBondContact OG1-N 2.77Å; D111-N113 PolarHBondContact O-N 3.38Å; D111-N113 VanDerWaalsContact O-N 3.14Å; D111-N113 WeakPolarHBondContact OD1-CB 3.16Å; D111-N113 PolarHBondContact OD1-N 2.85Å; D111-N113 PolarHBondContact OD2-ND2 2.87Å; N113-L129 VanDerWaalsContact O-CB 3.25Å; N113-L129 WeakPolarHBondContact O-CB 3.32Å; N113-L129 WeakPolarHBondContact O-CG 3.34Å; N113-L129 PolarHBondContact O-N 3.48Å
114	C	97.8	Very high	97.9	Very high	30 Å²	30	30.1 Å²	30.1	20%	0.203	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.5	179.5	-70.7	0	0	0	0	111.7	F108 T109 I126 Y127 W151	F108-C114 WeakPolarHBondContact CA-O 3.38Å; T109-C114 HydrophobicContact CG2-CB 3.64Å; T109-C114 PolarHBondContact N-O 3.11Å; T109-C114 PolarHBondContact OG1-N 2.89Å; T109-C114 PolarHBondContact OG1-O 2.86Å; C114-I126 HydrophobicContact CB-CG2 4.12Å; C114-Y127 CarbonylContact C-O 3.49Å; C114-Y127 WeakPolarHBondContact CA-O 3.38Å; C114-W151 HydrophobicContact CB-CZ2 4.43Å
115	L	98.7	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.2	170	-173.7	74.5	0	0	0	109.9	A75 V85 L97 V106 F108 T117 Y127 L129	A75-L115 HydrophobicContact CB-CD1 3.53Å; A75-L115 HydrophobicContact CB-CD2 4.22Å; V85-L115 HydrophobicContact CG2-CD2 3.75Å; L97-L115 HydrophobicContact CD1-CD2 3.72Å; V106-L115 HydrophobicContact CB-CD1 4.31Å; V106-L115 HydrophobicContact CG1-CD1 4.46Å; V106-L115 HydrophobicContact CG1-CD2 4.24Å; F108-L115 HydrophobicContact CD1-CD1 3.76Å; F108-L115 HydrophobicContact CE1-CD1 3.76Å; F108-L115 HydrophobicContact CG-CD1 4.17Å; F108-L115 HydrophobicContact CZ-CD1 4.17Å; L115-T117 HydrophobicContact CD2-CG2 3.96Å; L115-T117 HydrophobicContact CG-CG2 4.14Å; L115-Y127 PolarHBondContact N-O 3.45Å; L115-Y127 PolarHBondContact O-N 2.87Å; L115-L129 HydrophobicContact CB-CD1 4.25Å; L115-L129 HydrophobicContact CB-CD2 3.92Å; L115-L129 HydrophobicContact CB-CG 4.3Å
116	L	98.9	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.6	169.5	176.3	65.3	0	0	0	109.7	V106 N107 L124 R125 I126 W151 I158	V106-L116 CarbonylContact C-O 3.49Å; V106-L116 VanDerWaalsContact CA-O 3.25Å; V106-L116 WeakPolarHBondContact CA-O 3.45Å; N107-L116 PolarHBondContact N-O 2.66Å; N107-L116 PolarHBondContact O-N 2.84Å; L116-L124 HydrophobicContact CD1-CB 4.24Å; L116-L124 HydrophobicContact CD1-CD2 4.28Å; L116-R125 CarbonylContact C-O 3.55Å; L116-R125 WeakPolarHBondContact CA-O 3.16Å; L116-I126 HydrophobicContact CD1-CG1 4.02Å; L116-W151 HydrophobicContact CB-CZ2 3.89Å; L116-W151 VanDerWaalsContact CB-NE1 3.26Å; L116-I158 HydrophobicContact CD1-CD1 4.1Å; L116-I158 HydrophobicContact CD1-CG2 4.38Å; L116-I158 HydrophobicContact CD2-CD1 4.5Å; L116-I158 HydrophobicContact CD2-CG1 4.22Å; L116-I158 HydrophobicContact CD2-CG2 3.58Å
117	T	98.9	Very high	97.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.6	175.9	64.3	0	0	0	0	111.3	A83 H99 S105 V106 L115 L124 R125 Y127	A83-T117 HydrophobicContact CB-CG2 3.9Å; H99-T117 PolarHBondContact CE1-OG1 2.82Å; S105-T117 VanDerWaalsContact O-CA 3.27Å; S105-T117 WeakPolarHBondContact O-CA 3.15Å; V106-T117 HydrophobicContact CG1-CG2 3.98Å; L115-T117 HydrophobicContact CD2-CG2 3.96Å; L115-T117 HydrophobicContact CG-CG2 4.14Å; T117-L124 WeakPolarHBondContact O-CA 3.35Å; T117-R125 PolarHBondContact N-O 3.06Å; T117-R125 PolarHBondContact O-N 2.91Å; T117-R125 WeakPolarHBondContact OG1-CB 3.26Å; T117-R125 PolarHBondContact OG1-O 3.32Å; T117-Y127 HydrophobicContact CG2-CD2 4.1Å; T117-Y127 HydrophobicContact CG2-CE2 3.9Å; T117-Y127 WeakPolarHBondContact OG1-CE2 3.34Å
118	G	98.7	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	152.2	173.7	0	0	0	0	0	111.6	K104 S105	K104-G118 PolarHBondContact N-O 2.66Å; S105-G118 PolarHBondContact N-O 3.38Å; S105-G118 PolarHBondContact O-N 3.5Å; S105-G118 VanDerWaalsContact O-N 3.12Å
119	G	98.2	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	-154.2	-179	0	0	0	0	0	115.1	I102 D121 K122 I146	I102-G119 WeakPolarHBondContact O-CA 3.29Å; G119-D121 PolarHBondContact O-N 2.68Å; G119-K122 PolarHBondContact O-N 2.87Å; G119-K122 VanDerWaalsContact O-N 3.11Å; G119-I146 PolarHBondContact O-N 3.22Å
120	N	98.6	Very high	97.6	Very high	46 Å²	46	35 Å²	35	25%	0.246	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-15.4	-172.4	-83.2	33.7	0	0	0	114.5	H101 I102 K104 K122 A145	H101-N120 HydrophobicContact CB-CB 4.04Å; H101-N120 PolarHBondContact CE1-ND2 3.02Å; H101-N120 WeakPolarHBondContact ND1-CB 3.24Å; I102-N120 HydrophobicContact CB-CB 4.28Å; I102-N120 PolarHBondContact O-N 2.82Å; K104-N120 VanDerWaalsContact CD-OD1 3.28Å; K104-N120 WeakPolarHBondContact CD-OD1 3.17Å; N120-K122 PolarHBondContact O-N 2.89Å; N120-A145 HydrophobicContact CB-CB 4.27Å; N120-A145 WeakPolarHBondContact OD1-CB 3.39Å
121	D	97.9	Very high	97.6	Very high	30 Å²	30	34.7 Å²	34.7	16%	0.16	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.6	172.5	70.4	-9.4	0	0	0	113.2	K100 H101 G119 L123 R125	K100-D121 HydrophobicContact CB-CB 4.5Å; H101-D121 HydrophobicContact CB-CB 4.04Å; G119-D121 PolarHBondContact O-N 2.68Å; D121-L123 PolarHBondContact O-N 2.62Å; D121-R125 VanDerWaalsContact CG-NH1 3.34Å; D121-R125 IonicContact OD1-NH1 2.67Å; D121-R125 PolarHBondContact OD1-NH1 2.93Å; D121-R125 IonicContact OD2-CZ 3.31Å; D121-R125 IonicContact OD2-NH1 3.59Å; D121-R125 PolarHBondContact OD2-NH1 2.69Å; D121-R125 IonicContact OD2-NH2 3.62Å; D121-R125 PolarHBondContact OD2-NH2 2.91Å
122	K	98.4	Very high	97.4	Very high	93 Å²	93	33.3 Å²	33.3	40%	0.404	18%	0.178	S	C	.	.			trans	69	10	167.1	-38.7	176.4	-178.4	-173.6	0	114.5	G119 N120 S143 S144	G119-K122 PolarHBondContact O-N 2.87Å; G119-K122 VanDerWaalsContact O-N 3.11Å; N120-K122 PolarHBondContact O-N 2.89Å; K122-S143 WeakPolarHBondContact CD-O 3.12Å; K122-S143 WeakPolarHBondContact CE-O 3.45Å; K122-S143 PolarHBondContact NZ-O 3.34Å; K122-S144 WeakPolarHBondContact CG-O 3.45Å
123	L	98.4	Very high	97.3	Very high	32 Å²	32	40.7 Å²	40.7	17%	0.168	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.4	177.9	-65.6	172.5	0	0	0	109.7	D121 A140 I146	D121-L123 PolarHBondContact O-N 2.62Å; L123-A140 HydrophobicContact CD2-CB 3.63Å; L123-I146 VanDerWaalsContact C-CD1 3.48Å
124	L	98.8	Very high	97.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	140.9	158.9	-63.4	165.3	0	0	0	107.8	L116 T117 E138 I139 I146 I158 W170	L116-L124 HydrophobicContact CD1-CB 4.24Å; L116-L124 HydrophobicContact CD1-CD2 4.28Å; T117-L124 WeakPolarHBondContact O-CA 3.35Å; L124-E138 WeakPolarHBondContact O-CA 3.4Å; L124-I139 HydrophobicContact CB-CB 4.09Å; L124-I139 HydrophobicContact CB-CG1 4.43Å; L124-I139 HydrophobicContact CD1-CB 4.43Å; L124-I139 HydrophobicContact CD1-CD1 4.46Å; L124-I139 PolarHBondContact N-O 3.43Å; L124-I139 PolarHBondContact O-N 3.03Å; L124-I146 HydrophobicContact CD2-CD1 3.89Å; L124-I146 HydrophobicContact CD2-CG2 4.2Å; L124-I146 HydrophobicContact CG-CD1 3.86Å; L124-I158 HydrophobicContact CD1-CG2 4.12Å; L124-W170 HydrophobicContact CD1-CD2 4.44Å; L124-W170 HydrophobicContact CD1-CG 4.4Å; L124-W170 HydrophobicContact CD1-CZ2 4.38Å
125	R	98.7	Very high	97.2	Very high	8 Å²	8	42.2 Å²	42.2	3%	0.03	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.8	174.1	-61.7	-174.4	177.5	82.1	-7.8	111.7	H99 L116 T117 D121 Y127 P136 Q137 E138	H99-R125 PolarHBondContact CE1-NH1 3.01Å; H99-R125 PolarHBondContact ND1-NH1 3.25Å; L116-R125 CarbonylContact C-O 3.55Å; L116-R125 WeakPolarHBondContact CA-O 3.16Å; T117-R125 PolarHBondContact N-O 3.06Å; T117-R125 PolarHBondContact O-N 2.91Å; T117-R125 WeakPolarHBondContact OG1-CB 3.26Å; T117-R125 PolarHBondContact OG1-O 3.32Å; D121-R125 VanDerWaalsContact CG-NH1 3.34Å; D121-R125 IonicContact OD1-NH1 2.67Å; D121-R125 PolarHBondContact OD1-NH1 2.93Å; D121-R125 IonicContact OD2-CZ 3.31Å; D121-R125 IonicContact OD2-NH1 3.59Å; D121-R125 PolarHBondContact OD2-NH1 2.69Å; D121-R125 IonicContact OD2-NH2 3.62Å; D121-R125 PolarHBondContact OD2-NH2 2.91Å; R125-Y127 HydrophobicContact CB-CD2 4.25Å; R125-Y127 HydrophobicContact CB-CE2 3.67Å; R125-Y127 WeakPolarHBondContact CD-OH 3.46Å; R125-P136 HydrophobicContact CB-CB 4.01Å; R125-P136 HydrophobicContact CB-CG 4.41Å; R125-P136 HydrophobicContact CG-CG 4.44Å; R125-Q137 CarbonylContact C-O 3.58Å; R125-Q137 VanDerWaalsContact CA-O 3.26Å; R125-Q137 WeakPolarHBondContact CA-O 3.2Å; R125-E138 HydrophobicContact CG-CG 4.16Å; R125-E138 IonicContact CZ-OE1 3.39Å; R125-E138 IonicContact NE-OE1 3.72Å; R125-E138 PolarHBondContact NE-OE1 3.06Å; R125-E138 IonicContact NH2-OE1 3.83Å; R125-E138 PolarHBondContact NH2-OE1 2.6Å
126	I	98.6	Very high	97.1	Very high	9 Å²	9	43.9 Å²	43.9	5%	0.046	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.4	175	-57.1	158.3	0	0	0	107.5	C114 L116 P136 Q137 I139 W151 I158 M175	C114-I126 HydrophobicContact CB-CG2 4.12Å; L116-I126 HydrophobicContact CD1-CG1 4.02Å; I126-P136 VanDerWaalsContact O-CA 3.29Å; I126-P136 WeakPolarHBondContact O-CA 3.35Å; I126-P136 WeakPolarHBondContact O-CB 3.29Å; I126-Q137 HydrophobicContact CB-CB 4.35Å; I126-Q137 PolarHBondContact N-O 2.8Å; I126-Q137 PolarHBondContact O-N 2.91Å; I126-I139 HydrophobicContact CD1-CD1 4.27Å; I126-W151 HydrophobicContact CD1-CH2 3.85Å; I126-W151 HydrophobicContact CD1-CZ2 4.49Å; I126-W151 HydrophobicContact CG1-CH2 3.88Å; I126-W151 HydrophobicContact CG1-CZ2 4.02Å; I126-W151 HydrophobicContact CG2-CH2 3.98Å; I126-W151 HydrophobicContact CG2-CZ2 3.95Å; I126-I158 HydrophobicContact CD1-CD1 3.74Å; I126-I158 HydrophobicContact CG1-CD1 4.19Å; I126-M175 HydrophobicContact CD1-CE 3.61Å; I126-M175 HydrophobicContact CD1-SD 3.86Å
127	Y	98.4	Very high	97.1	Very high	21 Å²	21	49.2 Å²	49.2	8%	0.082	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.4	176.3	-64.9	-92.9	0	0	0	109.7	L97 H99 C114 L115 T117 R125 L129 P136	L97-Y127 HydrophobicContact CB-CE1 4.14Å; L97-Y127 HydrophobicContact CB-CE2 4.42Å; L97-Y127 HydrophobicContact CD1-CD1 4.01Å; L97-Y127 HydrophobicContact CD1-CD2 3.73Å; L97-Y127 HydrophobicContact CD1-CE1 4.26Å; L97-Y127 HydrophobicContact CD1-CE2 3.97Å; L97-Y127 HydrophobicContact CD1-CG 3.73Å; L97-Y127 HydrophobicContact CD2-CD1 3.8Å; L97-Y127 HydrophobicContact CD2-CE1 3.99Å; L97-Y127 HydrophobicContact CD2-CG 4.32Å; L97-Y127 HydrophobicContact CG-CD1 4.36Å; L97-Y127 HydrophobicContact CG-CE1 4.35Å; H99-Y127 AromaticContact NE2-CE2 3.77Å; H99-Y127 AromaticContact NE2-CZ 3.78Å; H99-Y127 PolarHBondContact NE2-OH 2.85Å; C114-Y127 CarbonylContact C-O 3.49Å; C114-Y127 WeakPolarHBondContact CA-O 3.38Å; L115-Y127 PolarHBondContact N-O 3.45Å; L115-Y127 PolarHBondContact O-N 2.87Å; T117-Y127 HydrophobicContact CG2-CD2 4.1Å; T117-Y127 HydrophobicContact CG2-CE2 3.9Å; T117-Y127 WeakPolarHBondContact OG1-CE2 3.34Å; R125-Y127 HydrophobicContact CB-CD2 4.25Å; R125-Y127 HydrophobicContact CB-CE2 3.67Å; R125-Y127 WeakPolarHBondContact CD-OH 3.46Å; Y127-L129 PolarHBondContact O-N 2.76Å; Y127-P136 HydrophobicContact CD1-CB 3.69Å; Y127-P136 HydrophobicContact CD1-CG 4.13Å; Y127-P136 HydrophobicContact CD2-CB 4.3Å; Y127-P136 HydrophobicContact CE1-CB 3.61Å; Y127-P136 HydrophobicContact CE1-CG 3.57Å; Y127-P136 HydrophobicContact CE2-CB 4.27Å; Y127-P136 HydrophobicContact CG-CB 4.04Å
128	D	97.6	Very high	97	Very high	48 Å²	48	54.1 Å²	54.1	26%	0.257	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	108.3	168.2	-179.8	-10.2	0	0	0	108.7	S130 K131	D128-S130 VanDerWaalsContact CG-OG 3.32Å; D128-S130 PolarHBondContact O-N 3.14Å; D128-S130 WeakPolarHBondContact OD1-CA 3.4Å; D128-S130 VanDerWaalsContact OD1-CB 3.31Å; D128-S130 WeakPolarHBondContact OD1-CB 3.1Å; D128-S130 PolarHBondContact OD1-N 2.98Å; D128-S130 PolarHBondContact OD1-OG 2.96Å; D128-S130 PolarHBondContact OD2-OG 3.43Å; D128-K131 HydrophobicContact CB-CB 4.46Å; D128-K131 CarbonylContact O-C 3.57Å; D128-K131 VanDerWaalsContact O-C 3.26Å; D128-K131 PolarHBondContact O-N 3.04Å; D128-K131 IonicContact OD2-NZ 2.76Å; D128-K131 PolarHBondContact OD2-NZ 3.06Å
129	L	96.4	Very high	97	Very high	25 Å²	25	54.3 Å²	54.3	13%	0.131	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.2	-176.8	-56.5	178.8	0	0	0	112.6	V85 L95 F108 N113 L115 Y127 K131	V85-L129 HydrophobicContact CG2-CD2 4.09Å; L95-L129 HydrophobicContact CD1-CD2 3.9Å; F108-L129 HydrophobicContact CD1-CD1 3.96Å; F108-L129 HydrophobicContact CE1-CD1 3.67Å; N113-L129 VanDerWaalsContact O-CB 3.25Å; N113-L129 WeakPolarHBondContact O-CB 3.32Å; N113-L129 WeakPolarHBondContact O-CG 3.34Å; N113-L129 PolarHBondContact O-N 3.48Å; L115-L129 HydrophobicContact CB-CD1 4.25Å; L115-L129 HydrophobicContact CB-CD2 3.92Å; L115-L129 HydrophobicContact CB-CG 4.3Å; Y127-L129 PolarHBondContact O-N 2.76Å; L129-K131 VanDerWaalsContact C-N 3.31Å
130	S	94.8	Very high	97	Very high	82 Å²	82	57.7 Å²	57.7	57%	0.573	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.8	170.2	77.4	0	0	0	0	112.8	D128	D128-S130 VanDerWaalsContact CG-OG 3.32Å; D128-S130 PolarHBondContact O-N 3.14Å; D128-S130 WeakPolarHBondContact OD1-CA 3.4Å; D128-S130 VanDerWaalsContact OD1-CB 3.31Å; D128-S130 WeakPolarHBondContact OD1-CB 3.1Å; D128-S130 PolarHBondContact OD1-N 2.98Å; D128-S130 PolarHBondContact OD1-OG 2.96Å; D128-S130 PolarHBondContact OD2-OG 3.43Å
131	K	95.4	Very high	96.9	Very high	121 Å²	121	57.3 Å²	57.3	53%	0.526	34%	0.337	S	S	.	.			trans	-132.7	67.9	-179.1	-59.7	-175.2	-159.7	102.2	0	110.5	D128 L129 D133 A134	D128-K131 HydrophobicContact CB-CB 4.46Å; D128-K131 CarbonylContact O-C 3.57Å; D128-K131 VanDerWaalsContact O-C 3.26Å; D128-K131 PolarHBondContact O-N 3.04Å; D128-K131 IonicContact OD2-NZ 2.76Å; D128-K131 PolarHBondContact OD2-NZ 3.06Å; L129-K131 VanDerWaalsContact C-N 3.31Å; K131-D133 PolarHBondContact O-N 2.9Å; K131-D133 VanDerWaalsContact O-N 3.09Å; K131-A134 HydrophobicContact CB-CB 3.91Å; K131-A134 VanDerWaalsContact O-CB 3.3Å; K131-A134 WeakPolarHBondContact O-CB 3.31Å; K131-A134 PolarHBondContact O-N 3.11Å
132	P	90.6	Very high	96.9	Very high	64 Å²	64	56.5 Å²	56.5	42%	0.416	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.7	-171.9	25.7	-35.9	0	0	0	114.5	L95	L95-P132 HydrophobicContact CD1-CB 4.08Å; L95-P132 HydrophobicContact CD2-CB 3.44Å; L95-P132 VanDerWaalsContact CD2-CB 3.44Å; L95-P132 HydrophobicContact CD2-CG 4.24Å; L95-P132 HydrophobicContact CG-CB 4.42Å
133	D	92.6	Very high	96.9	Very high	165 Å²	165	55.9 Å²	55.9	88%	0.882	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.6	177.3	-58.5	-48.7	0	0	0	113.4	K131	K131-D133 PolarHBondContact O-N 2.9Å; K131-D133 VanDerWaalsContact O-N 3.09Å
134	A	95.9	Very high	96.9	Very high	50 Å²	50	56 Å²	56	41%	0.413	34%	0.343	S	S	.	.	S	Bend	trans	-75.4	143	178.3	0	0	0	0	0	110.8	K131	K131-A134 HydrophobicContact CB-CB 3.91Å; K131-A134 VanDerWaalsContact O-CB 3.3Å; K131-A134 WeakPolarHBondContact O-CB 3.31Å; K131-A134 PolarHBondContact O-N 3.11Å
135	A	96.4	Very high	96.9	Very high	92 Å²	92	56.1 Å²	56.1	76%	0.76	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-61.5	139.4	171.5	0	0	0	0	0	110
136	P	97.6	Very high	96.9	Very high	34 Å²	34	55.8 Å²	55.8	22%	0.221	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-66.9	155.2	175.4	27.9	-33.5	0	0	0	110.8	R125 I126 Y127	R125-P136 HydrophobicContact CB-CB 4.01Å; R125-P136 HydrophobicContact CB-CG 4.41Å; R125-P136 HydrophobicContact CG-CG 4.44Å; I126-P136 VanDerWaalsContact O-CA 3.29Å; I126-P136 WeakPolarHBondContact O-CA 3.35Å; I126-P136 WeakPolarHBondContact O-CB 3.29Å; Y127-P136 HydrophobicContact CD1-CB 3.69Å; Y127-P136 HydrophobicContact CD1-CG 4.13Å; Y127-P136 HydrophobicContact CD2-CB 4.3Å; Y127-P136 HydrophobicContact CE1-CB 3.61Å; Y127-P136 HydrophobicContact CE1-CG 3.57Å; Y127-P136 HydrophobicContact CE2-CB 4.27Å; Y127-P136 HydrophobicContact CG-CB 4.04Å
137	Q	97.7	Very high	96.8	Very high	113 Å²	113	58 Å²	58	53%	0.528	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	134	162.6	-64.3	172	-25.7	0	0	108.4	R125 I126 M175	R125-Q137 CarbonylContact C-O 3.58Å; R125-Q137 VanDerWaalsContact CA-O 3.26Å; R125-Q137 WeakPolarHBondContact CA-O 3.2Å; I126-Q137 HydrophobicContact CB-CB 4.35Å; I126-Q137 PolarHBondContact N-O 2.8Å; I126-Q137 PolarHBondContact O-N 2.91Å; Q137-M175 HydrophobicContact CB-CE 3.87Å; Q137-M175 VanDerWaalsContact CD-CE 3.5Å; Q137-M175 HydrophobicContact CG-CE 4.22Å
138	E	98.1	Very high	96.8	Very high	102 Å²	102	58.4 Å²	58.4	48%	0.477	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.3	-178.6	-55	-163.1	139.3	0	0	110.4	L124 R125	L124-E138 WeakPolarHBondContact O-CA 3.4Å; R125-E138 HydrophobicContact CG-CG 4.16Å; R125-E138 IonicContact CZ-OE1 3.39Å; R125-E138 IonicContact NE-OE1 3.72Å; R125-E138 PolarHBondContact NE-OE1 3.06Å; R125-E138 IonicContact NH2-OE1 3.83Å; R125-E138 PolarHBondContact NH2-OE1 2.6Å
139	I	98.5	Very high	96.9	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.7	171.9	-42.5	178.2	0	0	0	108.1	L124 I126 I158 W170 M175	L124-I139 HydrophobicContact CB-CB 4.09Å; L124-I139 HydrophobicContact CB-CG1 4.43Å; L124-I139 HydrophobicContact CD1-CB 4.43Å; L124-I139 HydrophobicContact CD1-CD1 4.46Å; L124-I139 PolarHBondContact N-O 3.43Å; L124-I139 PolarHBondContact O-N 3.03Å; I126-I139 HydrophobicContact CD1-CD1 4.27Å; I139-I158 HydrophobicContact CD1-CD1 3.87Å; I139-W170 HydrophobicContact CG2-CD2 4.02Å; I139-W170 HydrophobicContact CG2-CE3 3.53Å; I139-W170 HydrophobicContact CG2-CH2 4.44Å; I139-W170 HydrophobicContact CG2-CZ3 3.78Å; I139-M175 HydrophobicContact CD1-SD 3.47Å; I139-M175 WeakPolarHBondContact CD1-SD 3.5Å; I139-M175 HydrophobicContact CG1-CB 4.16Å; I139-M175 HydrophobicContact CG1-CG 4.33Å; I139-M175 HydrophobicContact CG1-SD 3.57Å; I139-M175 VanDerWaalsContact CG1-SD 3.57Å
140	A	97.7	Very high	97	Very high	72 Å²	72	55.9 Å²	55.9	60%	0.595	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	147.8	176.6	0	0	0	0	0	110.6	L123	L123-A140 HydrophobicContact CD2-CB 3.63Å
141	G	96.9	Very high	97.1	Very high	37 Å²	37	52.8 Å²	52.8	38%	0.381	32%	0.317	S	S	.	.			trans	162.6	-27.9	170.8	0	0	0	0	0	114.1	R168	G141-R168 VanDerWaalsContact O-CZ 3.29Å; G141-R168 PolarHBondContact O-NH1 2.79Å; G141-R168 PolarHBondContact O-NH2 3.43Å
142	H	98.2	Very high	97.2	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.065	29%	0.292	C	S	.	.			trans	-65.8	139.2	170.3	-81.6	-63.2	0	0	0	111.8	I146 S160 A162 D164 T166 W170	H142-I146 HydrophobicContact CB-CG1 4.18Å; H142-S160 PolarHBondContact NE2-OG 2.88Å; H142-A162 HydrophobicContact CB-CB 4.27Å; H142-A162 VanDerWaalsContact CE1-CB 3.43Å; H142-A162 WeakPolarHBondContact CE1-CB 3.42Å; H142-A162 WeakPolarHBondContact ND1-CB 3.23Å; H142-D164 WeakPolarHBondContact CA-OD2 3.26Å; H142-D164 IonicContact CE1-OD1 3.3Å; H142-D164 IonicContact CG-OD2 2.99Å; H142-D164 IonicContact ND1-OD1 3.15Å; H142-D164 PolarHBondContact ND1-OD1 2.95Å; H142-D164 IonicContact ND1-OD2 3.43Å; H142-D164 PolarHBondContact ND1-OD2 2.97Å; H142-T166 PolarHBondContact CE1-OG1 3.33Å; H142-T166 PolarHBondContact ND1-OG1 2.62Å; H142-W170 AromaticContact CD2-CZ2 3.96Å
143	S	97.7	Very high	97.5	Very high	80 Å²	80	46.2 Å²	46.2	56%	0.559	28%	0.284	S	S	*	.	S	Bend	trans	-94.8	-10.1	-179.2	65.1	0	0	0	0	113.2	K122 D164	K122-S143 WeakPolarHBondContact CD-O 3.12Å; K122-S143 WeakPolarHBondContact CE-O 3.45Å; K122-S143 PolarHBondContact NZ-O 3.34Å; S143-D164 PolarHBondContact N-OD2 2.85Å; S143-D164 WeakPolarHBondContact OG-CB 3.31Å; S143-D164 PolarHBondContact OG-OD2 2.9Å
144	S	98.3	Very high	97.5	Very high	33 Å²	33	44.3 Å²	44.3	23%	0.231	27%	0.274	C	S	.	.	S	Bend	trans	-138.3	179.8	176.6	-159.2	0	0	0	0	111.7	K122 I146 E163	K122-S144 WeakPolarHBondContact CG-O 3.45Å; S144-I146 PolarHBondContact O-N 3.07Å; S144-E163 WeakPolarHBondContact OG-CB 3.32Å
145	A	98.2	Very high	97.5	Very high	5 Å²	5	43.7 Å²	43.7	4%	0.041	26%	0.264	C	S	.	.			trans	-57.5	132.6	-176.3	0	0	0	0	0	112.4	N120 A162 E163	N120-A145 HydrophobicContact CB-CB 4.27Å; N120-A145 WeakPolarHBondContact OD1-CB 3.39Å; A145-A162 CarbonylContact O-C 3.57Å; A145-A162 VanDerWaalsContact O-CA 3.3Å; A145-A162 WeakPolarHBondContact O-CA 3.28Å; A145-A162 WeakPolarHBondContact O-CB 3.25Å; A145-E163 HydrophobicContact CB-CG 4.38Å; A145-E163 PolarHBondContact O-N 3.5Å
146	I	98.6	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.7	173.7	-62.6	160.3	0	0	0	108.4	G119 L123 L124 H142 S144 A162	G119-I146 PolarHBondContact O-N 3.22Å; L123-I146 VanDerWaalsContact C-CD1 3.48Å; L124-I146 HydrophobicContact CD2-CD1 3.89Å; L124-I146 HydrophobicContact CD2-CG2 4.2Å; L124-I146 HydrophobicContact CG-CD1 3.86Å; H142-I146 HydrophobicContact CB-CG1 4.18Å; S144-I146 PolarHBondContact O-N 3.07Å; I146-A162 HydrophobicContact CG1-CB 4.35Å
147	K	97.9	Very high	97.5	Very high	56 Å²	56	41 Å²	41	24%	0.243	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-42.4	-179.1	-67.5	-175.3	63.4	-175.6	0	112.6	A161 E163 V187 S188	K147-A161 PolarHBondContact N-O 3.23Å; K147-E163 HydrophobicContact CD-CG 3.8Å; K147-E163 HydrophobicContact CG-CG 3.87Å; K147-V187 WeakPolarHBondContact CE-O 3.39Å; K147-V187 PolarHBondContact NZ-O 3.02Å; K147-S188 PolarHBondContact NZ-O 2.75Å
148	K	98.2	Very high	97.6	Very high	30 Å²	30	35.6 Å²	35.6	13%	0.13	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	145.3	-179.5	-159.2	76.3	176.7	-172.1	0	109.8	D19 L150 S160 A161 M190	D19-K148 IonicContact OD1-NZ 3.08Å; D19-K148 PolarHBondContact OD1-NZ 2.82Å; D19-K148 IonicContact OD2-NZ 3.41Å; D19-K148 PolarHBondContact OD2-NZ 2.85Å; K148-L150 HydrophobicContact CG-CD2 4.5Å; K148-L150 HydrophobicContact CG-CG 4.45Å; K148-S160 WeakPolarHBondContact O-CA 3.49Å; K148-A161 PolarHBondContact N-O 3.09Å; K148-A161 PolarHBondContact O-N 2.88Å; K148-M190 HydrophobicContact CB-CB 4.43Å; K148-M190 HydrophobicContact CB-CE 4.43Å; K148-M190 HydrophobicContact CG-CB 4.48Å
149	S	98.4	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	134.5	178	62.3	0	0	0	0	109.2	S105 L159	S105-S149 WeakPolarHBondContact CB-OG 3.34Å; S105-S149 PolarHBondContact OG-N 3.48Å; S105-S149 PolarHBondContact OG-O 3.29Å; S105-S149 PolarHBondContact OG-OG 3.31Å; S149-L159 CarbonylContact C-O 3.49Å; S149-L159 WeakPolarHBondContact CA-O 3.38Å
150	L	98.3	Very high	97.6	Very high	19 Å²	19	30.5 Å²	30.5	10%	0.099	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.4	-173.7	-59.5	171.7	0	0	0	109.7	K148 I158 L159 M190	K148-L150 HydrophobicContact CG-CD2 4.5Å; K148-L150 HydrophobicContact CG-CG 4.45Å; L150-I158 CarbonylContact O-C 3.59Å; L150-I158 WeakPolarHBondContact O-CA 3.21Å; L150-L159 PolarHBondContact N-O 3.16Å; L150-L159 PolarHBondContact O-N 3.16Å; L150-M190 HydrophobicContact CD1-CE 3.96Å; L150-M190 HydrophobicContact CD1-CG 4.18Å; L150-M190 HydrophobicContact CG-CE 4.1Å
151	W	98.1	Very high	97.7	Very high	18 Å²	18	27.2 Å²	27.2	7%	0.068	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	147.8	163.6	-65.3	101.8	0	0	0	110.5	N107 F108 T109 C114 L116 I126 D155 I158 Y192	N107-W151 PolarHBondContact O-NE1 2.95Å; N107-W151 PolarHBondContact OD1-N 2.97Å; F108-W151 VanDerWaalsContact C-CD1 3.47Å; F108-W151 VanDerWaalsContact O-CD1 3.26Å; T109-W151 HydrophobicContact CG2-CD2 3.76Å; T109-W151 VanDerWaalsContact CG2-CE2 3.41Å; T109-W151 HydrophobicContact CG2-CE3 4.25Å; T109-W151 HydrophobicContact CG2-CG 4.18Å; T109-W151 HydrophobicContact CG2-CH2 4.15Å; T109-W151 HydrophobicContact CG2-CZ2 3.66Å; T109-W151 HydrophobicContact CG2-CZ3 4.41Å; C114-W151 HydrophobicContact CB-CZ2 4.43Å; L116-W151 HydrophobicContact CB-CZ2 3.89Å; L116-W151 VanDerWaalsContact CB-NE1 3.26Å; I126-W151 HydrophobicContact CD1-CH2 3.85Å; I126-W151 HydrophobicContact CD1-CZ2 4.49Å; I126-W151 HydrophobicContact CG1-CH2 3.88Å; I126-W151 HydrophobicContact CG1-CZ2 4.02Å; I126-W151 HydrophobicContact CG2-CH2 3.98Å; I126-W151 HydrophobicContact CG2-CZ2 3.95Å; W151-D155 WeakPolarHBondContact CB-OD1 3.47Å; W151-D155 HydrophobicContact CE3-CB 4.09Å; W151-D155 VanDerWaalsContact CZ3-O 3.31Å; W151-D155 WeakPolarHBondContact CZ3-O 3.48Å; W151-I158 HydrophobicContact CD2-CG1 4.22Å; W151-I158 HydrophobicContact CE3-CD1 4.24Å; W151-I158 HydrophobicContact CE3-CG1 3.61Å; W151-I158 HydrophobicContact CH2-CD1 3.89Å; W151-I158 HydrophobicContact CH2-CG1 4.19Å; W151-I158 HydrophobicContact CZ2-CD1 4.5Å; W151-I158 HydrophobicContact CZ3-CD1 3.76Å; W151-I158 HydrophobicContact CZ3-CG1 3.62Å; W151-Y192 VanDerWaalsContact O-CD1 3.31Å; W151-Y192 WeakPolarHBondContact O-CD1 3.46Å
152	C	97.3	Very high	97.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	170.6	174.7	64.4	0	0	0	0	110.9	D155 S156 Q157 L159 Y192	C152-D155 PolarHBondContact O-N 2.81Å; C152-S156 PolarHBondContact O-N 2.69Å; C152-Q157 PolarHBondContact N-O 3.13Å; C152-Q157 PolarHBondContact O-N 2.95Å; C152-Q157 VanDerWaalsContact O-N 3.11Å; C152-Q157 VanDerWaalsContact O-O 3.11Å; C152-Q157 VanDerWaalsContact SG-CB 3.5Å; C152-Q157 PolarHBondContact SG-O 2.79Å; C152-L159 HydrophobicContact CB-CD1 4.08Å; C152-Y192 HydrophobicContact CB-CD1 3.97Å; C152-Y192 HydrophobicContact CB-CD2 4.26Å; C152-Y192 HydrophobicContact CB-CE1 3.61Å; C152-Y192 HydrophobicContact CB-CE2 3.92Å; C152-Y192 HydrophobicContact CB-CG 4.26Å
153	N	95.9	Very high	97.7	Very high	46 Å²	46	28.6 Å²	28.6	25%	0.246	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	51.5	178.5	-162.1	13.8	0	0	0	113.1	D155 S156 Q157 Y192 L213	N153-D155 VanDerWaalsContact C-N 3.31Å; N153-D155 PolarHBondContact O-N 2.76Å; N153-S156 WeakPolarHBondContact CB-OG 3.31Å; N153-S156 VanDerWaalsContact CG-OG 3.29Å; N153-S156 PolarHBondContact ND2-OG 2.84Å; N153-S156 VanDerWaalsContact ND2-OG 3.07Å; N153-S156 WeakPolarHBondContact O-CB 3.16Å; N153-S156 PolarHBondContact O-N 2.98Å; N153-S156 VanDerWaalsContact O-N 3.1Å; N153-S156 PolarHBondContact O-OG 2.96Å; N153-Q157 HydrophobicContact CB-CB 4.15Å; N153-Q157 HydrophobicContact CB-CG 4.28Å; N153-Y192 PolarHBondContact N-OH 2.9Å; N153-L213 HydrophobicContact CB-CD2 3.49Å; N153-L213 VanDerWaalsContact CB-CD2 3.49Å
154	N	94.3	Very high	97.7	Very high	125 Å²	125	26 Å²	26	67%	0.668	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	49.2	-174.6	-52.5	-63.1	0	0	0	112.2	S156	N154-S156 PolarHBondContact O-N 2.77Å
155	D	96.1	Very high	97.7	Very high	37 Å²	37	28.8 Å²	28.8	20%	0.198	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	6.6	-178.5	-53	-34.6	0	0	0	116	T109 Q110 W151 C152 N153 Q157 S172	T109-D155 VanDerWaalsContact CB-OD2 3.3Å; T109-D155 WeakPolarHBondContact CB-OD2 3.45Å; T109-D155 HydrophobicContact CG2-CB 4.02Å; Q110-D155 WeakPolarHBondContact CB-OD2 3.48Å; Q110-D155 PolarHBondContact N-OD1 2.82Å; Q110-D155 PolarHBondContact N-OD2 3.31Å; W151-D155 WeakPolarHBondContact CB-OD1 3.47Å; W151-D155 HydrophobicContact CE3-CB 4.09Å; W151-D155 VanDerWaalsContact CZ3-O 3.31Å; W151-D155 WeakPolarHBondContact CZ3-O 3.48Å; C152-D155 PolarHBondContact O-N 2.81Å; N153-D155 VanDerWaalsContact C-N 3.31Å; N153-D155 PolarHBondContact O-N 2.76Å; D155-Q157 VanDerWaalsContact C-N 3.29Å; D155-Q157 PolarHBondContact O-N 2.78Å; D155-S172 PolarHBondContact O-OG 2.88Å
156	S	96.3	Very high	97.7	Very high	44 Å²	44	29.1 Å²	29.1	31%	0.308	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.1	177.2	68.6	0	0	0	0	113.2	C152 N153 N154 S172	C152-S156 PolarHBondContact O-N 2.69Å; N153-S156 WeakPolarHBondContact CB-OG 3.31Å; N153-S156 VanDerWaalsContact CG-OG 3.29Å; N153-S156 PolarHBondContact ND2-OG 2.84Å; N153-S156 VanDerWaalsContact ND2-OG 3.07Å; N153-S156 WeakPolarHBondContact O-CB 3.16Å; N153-S156 PolarHBondContact O-N 2.98Å; N153-S156 VanDerWaalsContact O-N 3.1Å; N153-S156 PolarHBondContact O-OG 2.96Å; N154-S156 PolarHBondContact O-N 2.77Å; S156-S172 WeakPolarHBondContact CA-OG 3.26Å; S156-S172 VanDerWaalsContact O-CB 3.28Å; S156-S172 WeakPolarHBondContact O-CB 3.46Å; S156-S172 PolarHBondContact O-N 3.41Å; S156-S172 PolarHBondContact O-OG 3.24Å
157	Q	97.7	Very high	97.7	Very high	24 Å²	24	29.1 Å²	29.1	11%	0.112	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.9	-179.8	-70.4	-177.9	-30	0	0	112.4	C152 N153 D155 L169 W170	C152-Q157 PolarHBondContact N-O 3.13Å; C152-Q157 PolarHBondContact O-N 2.95Å; C152-Q157 VanDerWaalsContact O-N 3.11Å; C152-Q157 VanDerWaalsContact O-O 3.11Å; C152-Q157 VanDerWaalsContact SG-CB 3.5Å; C152-Q157 PolarHBondContact SG-O 2.79Å; N153-Q157 HydrophobicContact CB-CB 4.15Å; N153-Q157 HydrophobicContact CB-CG 4.28Å; D155-Q157 VanDerWaalsContact C-N 3.29Å; D155-Q157 PolarHBondContact O-N 2.78Å; Q157-L169 HydrophobicContact CB-CD1 3.89Å; Q157-L169 HydrophobicContact CG-CD1 4.44Å; Q157-W170 CarbonylContact C-O 3.59Å; Q157-W170 VanDerWaalsContact CA-O 3.23Å; Q157-W170 WeakPolarHBondContact CA-O 3.44Å; Q157-W170 WeakPolarHBondContact CB-O 3.27Å
158	I	98.7	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.1	178.2	-64.2	163.8	0	0	0	109.1	L116 L124 I126 I139 L150 W151 L169 W170	L116-I158 HydrophobicContact CD1-CD1 4.1Å; L116-I158 HydrophobicContact CD1-CG2 4.38Å; L116-I158 HydrophobicContact CD2-CD1 4.5Å; L116-I158 HydrophobicContact CD2-CG1 4.22Å; L116-I158 HydrophobicContact CD2-CG2 3.58Å; L124-I158 HydrophobicContact CD1-CG2 4.12Å; I126-I158 HydrophobicContact CD1-CD1 3.74Å; I126-I158 HydrophobicContact CG1-CD1 4.19Å; I139-I158 HydrophobicContact CD1-CD1 3.87Å; L150-I158 CarbonylContact O-C 3.59Å; L150-I158 WeakPolarHBondContact O-CA 3.21Å; W151-I158 HydrophobicContact CD2-CG1 4.22Å; W151-I158 HydrophobicContact CE3-CD1 4.24Å; W151-I158 HydrophobicContact CE3-CG1 3.61Å; W151-I158 HydrophobicContact CH2-CD1 3.89Å; W151-I158 HydrophobicContact CH2-CG1 4.19Å; W151-I158 HydrophobicContact CZ2-CD1 4.5Å; W151-I158 HydrophobicContact CZ3-CD1 3.76Å; W151-I158 HydrophobicContact CZ3-CG1 3.62Å; I158-L169 CarbonylContact O-C 3.53Å; I158-L169 WeakPolarHBondContact O-CA 3.26Å; I158-W170 HydrophobicContact CB-CB 4.29Å; I158-W170 PolarHBondContact N-O 2.95Å; I158-W170 VanDerWaalsContact O-CD1 3.27Å; I158-W170 PolarHBondContact O-N 3Å
159	L	98.7	Very high	97.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.8	167.4	-72.5	164	0	0	0	109.4	S149 L150 C152 R168 L169 M190 L199 A212 L215	S149-L159 CarbonylContact C-O 3.49Å; S149-L159 WeakPolarHBondContact CA-O 3.38Å; L150-L159 PolarHBondContact N-O 3.16Å; L150-L159 PolarHBondContact O-N 3.16Å; C152-L159 HydrophobicContact CB-CD1 4.08Å; L159-R168 CarbonylContact C-O 3.5Å; L159-R168 WeakPolarHBondContact CA-O 3.37Å; L159-L169 HydrophobicContact CD2-CB 4.26Å; L159-L169 HydrophobicContact CD2-CD1 3.69Å; L159-L169 HydrophobicContact CG-CD1 4.03Å; L159-M190 HydrophobicContact CB-CE 3.84Å; L159-M190 HydrophobicContact CB-SD 4.22Å; L159-L199 HydrophobicContact CD1-CD1 3.76Å; L159-L199 HydrophobicContact CD1-CD2 3.98Å; L159-L199 HydrophobicContact CD1-CG 4.36Å; L159-L199 HydrophobicContact CD2-CD2 3.86Å; L159-A212 HydrophobicContact CD1-CB 4.27Å; L159-L215 HydrophobicContact CD2-CD2 3.86Å
160	S	98.7	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.2	173.2	63.1	0	0	0	0	112.4	H142 K148 V167 R168 W170	H142-S160 PolarHBondContact NE2-OG 2.88Å; K148-S160 WeakPolarHBondContact O-CA 3.49Å; S160-V167 CarbonylContact O-C 3.5Å; S160-V167 WeakPolarHBondContact O-CA 3.39Å; S160-R168 PolarHBondContact N-O 3.17Å; S160-R168 PolarHBondContact O-N 2.77Å; S160-W170 PolarHBondContact OG-NE1 3.43Å
161	A	98.4	Very high	97.7	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.6	175.5	0	0	0	0	0	109.9	K147 K148 V167 V187 M190	K147-A161 PolarHBondContact N-O 3.23Å; K148-A161 PolarHBondContact N-O 3.09Å; K148-A161 PolarHBondContact O-N 2.88Å; A161-V167 HydrophobicContact CB-CG2 3.86Å; A161-V187 HydrophobicContact CB-CB 4.43Å; A161-V187 HydrophobicContact CB-CG1 4.14Å; A161-M190 HydrophobicContact CB-CB 4.42Å; A161-M190 HydrophobicContact CB-CE 4.19Å; A161-M190 HydrophobicContact CB-SD 4Å
162	A	98.1	Very high	97.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	165.7	-175.1	0	0	0	0	0	113.9	H142 A145 I146 D164 K165 T166	H142-A162 HydrophobicContact CB-CB 4.27Å; H142-A162 VanDerWaalsContact CE1-CB 3.43Å; H142-A162 WeakPolarHBondContact CE1-CB 3.42Å; H142-A162 WeakPolarHBondContact ND1-CB 3.23Å; A145-A162 CarbonylContact O-C 3.57Å; A145-A162 VanDerWaalsContact O-CA 3.3Å; A145-A162 WeakPolarHBondContact O-CA 3.28Å; A145-A162 WeakPolarHBondContact O-CB 3.25Å; I146-A162 HydrophobicContact CG1-CB 4.35Å; A162-D164 WeakPolarHBondContact CB-OD1 3.32Å; A162-D164 PolarHBondContact O-N 3.26Å; A162-D164 VanDerWaalsContact O-N 3.17Å; A162-K165 PolarHBondContact O-N 3.08Å; A162-K165 VanDerWaalsContact O-N 3.14Å; A162-T166 PolarHBondContact N-O 3.37Å; A162-T166 VanDerWaalsContact N-O 3.13Å
163	E	97.6	Very high	97.5	Very high	81 Å²	81	39.4 Å²	39.4	38%	0.379	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.5	177.2	-71.2	178.7	-165.7	0	0	113.4	K104 S144 A145 K147 K165	K104-E163 IonicContact NZ-OE1 3.64Å; K104-E163 PolarHBondContact NZ-OE1 3.1Å; S144-E163 WeakPolarHBondContact OG-CB 3.32Å; A145-E163 HydrophobicContact CB-CG 4.38Å; A145-E163 PolarHBondContact O-N 3.5Å; K147-E163 HydrophobicContact CD-CG 3.8Å; K147-E163 HydrophobicContact CG-CG 3.87Å; E163-K165 PolarHBondContact O-N 2.89Å
164	D	97.7	Very high	97.5	Very high	25 Å²	25	40 Å²	40	13%	0.134	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	9	169.8	66.6	8.4	0	0	0	112.9	H142 S143 A162 T166 R168	H142-D164 WeakPolarHBondContact CA-OD2 3.26Å; H142-D164 IonicContact CE1-OD1 3.3Å; H142-D164 IonicContact CG-OD2 2.99Å; H142-D164 IonicContact ND1-OD1 3.15Å; H142-D164 PolarHBondContact ND1-OD1 2.95Å; H142-D164 IonicContact ND1-OD2 3.43Å; H142-D164 PolarHBondContact ND1-OD2 2.97Å; S143-D164 PolarHBondContact N-OD2 2.85Å; S143-D164 WeakPolarHBondContact OG-CB 3.31Å; S143-D164 PolarHBondContact OG-OD2 2.9Å; A162-D164 WeakPolarHBondContact CB-OD1 3.32Å; A162-D164 PolarHBondContact O-N 3.26Å; A162-D164 VanDerWaalsContact O-N 3.17Å; D164-T166 VanDerWaalsContact CG-OG1 3.3Å; D164-T166 PolarHBondContact O-N 3.01Å; D164-T166 WeakPolarHBondContact OD1-CB 3.25Å; D164-T166 PolarHBondContact OD1-N 2.93Å; D164-T166 PolarHBondContact OD1-OG1 2.78Å; D164-T166 PolarHBondContact OD2-OG1 2.84Å; D164-R168 IonicContact OD2-NH2 2.81Å
165	K	98	Very high	97.7	Very high	91 Å²	91	36.2 Å²	36.2	40%	0.396	18%	0.176	S	C	.	.	S	Bend	trans	64.6	24.7	178.9	-41.7	177.8	-179.3	-175.3	0	113.1	A162 E163 F183 D184	A162-K165 PolarHBondContact O-N 3.08Å; A162-K165 VanDerWaalsContact O-N 3.14Å; E163-K165 PolarHBondContact O-N 2.89Å; K165-F183 VanDerWaalsContact CB-O 3.24Å; K165-F183 WeakPolarHBondContact CB-O 3.31Å; K165-F183 WeakPolarHBondContact CD-O 3.49Å; K165-F183 WeakPolarHBondContact O-CD2 3.44Å; K165-F183 PolarHBondContact O-N 2.9Å; K165-D184 WeakPolarHBondContact CD-O 3.36Å; K165-D184 WeakPolarHBondContact CE-O 3.44Å; K165-D184 PolarHBondContact NZ-O 3.14Å
166	T	98.4	Very high	97.7	Very high	12 Å²	12	41 Å²	41	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	145.9	174.6	68.4	0	0	0	0	112.4	H142 A162 D164 R168 T180 L181	H142-T166 PolarHBondContact CE1-OG1 3.33Å; H142-T166 PolarHBondContact ND1-OG1 2.62Å; A162-T166 PolarHBondContact N-O 3.37Å; A162-T166 VanDerWaalsContact N-O 3.13Å; D164-T166 VanDerWaalsContact CG-OG1 3.3Å; D164-T166 PolarHBondContact O-N 3.01Å; D164-T166 WeakPolarHBondContact OD1-CB 3.25Å; D164-T166 PolarHBondContact OD1-N 2.93Å; D164-T166 PolarHBondContact OD1-OG1 2.78Å; D164-T166 PolarHBondContact OD2-OG1 2.84Å; T166-R168 PolarHBondContact OG1-NE 2.86Å; T166-R168 VanDerWaalsContact OG1-NE 3.15Å; T166-T180 HydrophobicContact CG2-CG2 4.04Å; T166-L181 CarbonylContact C-O 3.59Å; T166-L181 WeakPolarHBondContact CA-O 3.46Å; T166-L181 WeakPolarHBondContact CB-O 3.38Å
167	V	98.6	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.6	159.9	175.5	0	0	0	0	107.6	S160 A161 T180 L181 F183 V187 M190 L199 I201	S160-V167 CarbonylContact O-C 3.5Å; S160-V167 WeakPolarHBondContact O-CA 3.39Å; A161-V167 HydrophobicContact CB-CG2 3.86Å; V167-T180 WeakPolarHBondContact O-CA 3.33Å; V167-L181 HydrophobicContact CB-CB 4.37Å; V167-L181 PolarHBondContact N-O 2.79Å; V167-L181 PolarHBondContact O-N 2.99Å; V167-F183 HydrophobicContact CB-CE2 4.02Å; V167-F183 HydrophobicContact CG2-CD2 4.49Å; V167-F183 HydrophobicContact CG2-CE2 3.71Å; V167-F183 HydrophobicContact CG2-CZ 4.42Å; V167-V187 HydrophobicContact CG2-CG2 3.87Å; V167-M190 HydrophobicContact CG1-SD 3.88Å; V167-L199 HydrophobicContact CG1-CD2 4.36Å; V167-I201 HydrophobicContact CB-CD1 4.38Å; V167-I201 HydrophobicContact CG1-CD1 4.26Å; V167-I201 HydrophobicContact CG2-CD1 4.06Å
168	R	98.6	Very high	97.8	Very high	33 Å²	33	45.5 Å²	45.5	13%	0.125	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.8	-173.6	-56.1	-168.3	-177.5	-164.4	14.2	110.7	G141 L159 S160 D164 T166 W170 E177 K179 T180	G141-R168 VanDerWaalsContact O-CZ 3.29Å; G141-R168 PolarHBondContact O-NH1 2.79Å; G141-R168 PolarHBondContact O-NH2 3.43Å; L159-R168 CarbonylContact C-O 3.5Å; L159-R168 WeakPolarHBondContact CA-O 3.37Å; S160-R168 PolarHBondContact N-O 3.17Å; S160-R168 PolarHBondContact O-N 2.77Å; D164-R168 IonicContact OD2-NH2 2.81Å; T166-R168 PolarHBondContact OG1-NE 2.86Å; T166-R168 VanDerWaalsContact OG1-NE 3.15Å; R168-W170 HydrophobicContact CB-CH2 4.5Å; R168-W170 HydrophobicContact CB-CZ2 3.65Å; R168-W170 VanDerWaalsContact CD-CZ2 3.41Å; R168-W170 HydrophobicContact CG-CZ2 4.13Å; R168-E177 WeakPolarHBondContact CD-OE2 3.38Å; R168-E177 IonicContact CZ-OE2 2.86Å; R168-E177 IonicContact NE-OE2 3.53Å; R168-E177 IonicContact NH1-OE2 3.27Å; R168-E177 PolarHBondContact NH1-OE2 3.37Å; R168-K179 WeakPolarHBondContact CA-O 3.47Å; R168-T180 HydrophobicContact CG-CG2 4.11Å; R168-T180 WeakPolarHBondContact CG-OG1 3.31Å
169	L	98.6	Very high	97.8	Very high	1 Å²	1	49 Å²	49	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.3	171.5	-178.5	71.2	0	0	0	108.2	Q157 I158 L159 V178 K179 L213 L215	Q157-L169 HydrophobicContact CB-CD1 3.89Å; Q157-L169 HydrophobicContact CG-CD1 4.44Å; I158-L169 CarbonylContact O-C 3.53Å; I158-L169 WeakPolarHBondContact O-CA 3.26Å; L159-L169 HydrophobicContact CD2-CB 4.26Å; L159-L169 HydrophobicContact CD2-CD1 3.69Å; L159-L169 HydrophobicContact CG-CD1 4.03Å; L169-V178 HydrophobicContact CB-CB 4.47Å; L169-V178 HydrophobicContact CD2-CB 4.22Å; L169-V178 HydrophobicContact CD2-CG1 4.05Å; L169-V178 HydrophobicContact CG-CB 4.21Å; L169-V178 WeakPolarHBondContact O-CB 3.39Å; L169-V178 PolarHBondContact O-N 3.27Å; L169-K179 PolarHBondContact N-O 3.41Å; L169-K179 PolarHBondContact O-N 2.78Å; L169-L213 WeakPolarHBondContact CD2-O 3.27Å; L169-L215 HydrophobicContact CB-CD1 3.88Å; L169-L215 HydrophobicContact CB-CG 4.34Å; L169-L215 HydrophobicContact CD2-CG 4.5Å
170	W	98.6	Very high	97.8	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.1	-177.8	-42.8	83.4	0	0	0	110	L124 I139 H142 Q157 I158 S160 R168 E176 E177	L124-W170 HydrophobicContact CD1-CD2 4.44Å; L124-W170 HydrophobicContact CD1-CG 4.4Å; L124-W170 HydrophobicContact CD1-CZ2 4.38Å; I139-W170 HydrophobicContact CG2-CD2 4.02Å; I139-W170 HydrophobicContact CG2-CE3 3.53Å; I139-W170 HydrophobicContact CG2-CH2 4.44Å; I139-W170 HydrophobicContact CG2-CZ3 3.78Å; H142-W170 AromaticContact CD2-CZ2 3.96Å; Q157-W170 CarbonylContact C-O 3.59Å; Q157-W170 VanDerWaalsContact CA-O 3.23Å; Q157-W170 WeakPolarHBondContact CA-O 3.44Å; Q157-W170 WeakPolarHBondContact CB-O 3.27Å; I158-W170 HydrophobicContact CB-CB 4.29Å; I158-W170 PolarHBondContact N-O 2.95Å; I158-W170 VanDerWaalsContact O-CD1 3.27Å; I158-W170 PolarHBondContact O-N 3Å; S160-W170 PolarHBondContact OG-NE1 3.43Å; R168-W170 HydrophobicContact CB-CH2 4.5Å; R168-W170 HydrophobicContact CB-CZ2 3.65Å; R168-W170 VanDerWaalsContact CD-CZ2 3.41Å; R168-W170 HydrophobicContact CG-CZ2 4.13Å; W170-E176 WeakPolarHBondContact CA-O 3.39Å; W170-E177 HydrophobicContact CE3-CB 3.83Å; W170-E177 HydrophobicContact CE3-CG 4.41Å; W170-E177 HydrophobicContact CZ3-CB 3.77Å; W170-E177 HydrophobicContact CZ3-CG 4.32Å
171	D	97.8	Very high	97.7	Very high	49 Å²	49	52.3 Å²	52.3	26%	0.262	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.9	166.1	-176.6	-84.7	0	0	0	109	R173 S174 M175 E176 V178	D171-R173 PolarHBondContact O-N 3.45Å; D171-R173 WeakPolarHBondContact OD1-CA 3.49Å; D171-R173 WeakPolarHBondContact OD1-CB 3.39Å; D171-R173 PolarHBondContact OD1-N 2.86Å; D171-S174 WeakPolarHBondContact CB-OG 3.49Å; D171-S174 PolarHBondContact OD1-N 3.04Å; D171-S174 PolarHBondContact OD1-OG 3.26Å; D171-M175 VanDerWaalsContact O-CA 3.25Å; D171-M175 WeakPolarHBondContact O-CA 3.49Å; D171-M175 PolarHBondContact O-N 2.92Å; D171-E176 PolarHBondContact N-O 2.76Å; D171-V178 HydrophobicContact CB-CG2 3.94Å
172	S	95.4	Very high	97.7	Very high	24 Å²	24	57.6 Å²	57.6	17%	0.168	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16	-176.1	65.3	0	0	0	0	114	D155 S156 M175	D155-S172 PolarHBondContact O-OG 2.88Å; S156-S172 WeakPolarHBondContact CA-OG 3.26Å; S156-S172 VanDerWaalsContact O-CB 3.28Å; S156-S172 WeakPolarHBondContact O-CB 3.46Å; S156-S172 PolarHBondContact O-N 3.41Å; S156-S172 PolarHBondContact O-OG 3.24Å; S172-M175 WeakPolarHBondContact O-CE 3.34Å
173	R	94.9	Very high	97.7	Very high	229 Å²	229	58.2 Å²	58.2	86%	0.864	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-45.8	-176.2	-176.4	178.8	179	176.8	0.7	111.5	D171	D171-R173 PolarHBondContact O-N 3.45Å; D171-R173 WeakPolarHBondContact OD1-CA 3.49Å; D171-R173 WeakPolarHBondContact OD1-CB 3.39Å; D171-R173 PolarHBondContact OD1-N 2.86Å
174	S	96.9	Very high	97.5	Very high	60 Å²	60	61.5 Å²	61.5	42%	0.42	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-20	176.4	71.9	0	0	0	0	112.6	D171 E176	D171-S174 WeakPolarHBondContact CB-OG 3.49Å; D171-S174 PolarHBondContact OD1-N 3.04Å; D171-S174 PolarHBondContact OD1-OG 3.26Å; S174-E176 PolarHBondContact O-N 2.94Å; S174-E176 WeakPolarHBondContact OG-CB 3.2Å; S174-E176 PolarHBondContact OG-N 2.82Å
175	M	97	Very high	97.3	Very high	44 Å²	44	63.3 Å²	63.3	22%	0.217	32%	0.32	C	S	.	.			trans	62	22	-172.2	-53	-60.7	175.6	0	0	113.3	I126 Q137 I139 D171 S172	I126-M175 HydrophobicContact CD1-CE 3.61Å; I126-M175 HydrophobicContact CD1-SD 3.86Å; Q137-M175 HydrophobicContact CB-CE 3.87Å; Q137-M175 VanDerWaalsContact CD-CE 3.5Å; Q137-M175 HydrophobicContact CG-CE 4.22Å; I139-M175 HydrophobicContact CD1-SD 3.47Å; I139-M175 WeakPolarHBondContact CD1-SD 3.5Å; I139-M175 HydrophobicContact CG1-CB 4.16Å; I139-M175 HydrophobicContact CG1-CG 4.33Å; I139-M175 HydrophobicContact CG1-SD 3.57Å; I139-M175 VanDerWaalsContact CG1-SD 3.57Å; D171-M175 VanDerWaalsContact O-CA 3.25Å; D171-M175 WeakPolarHBondContact O-CA 3.49Å; D171-M175 PolarHBondContact O-N 2.92Å; S172-M175 WeakPolarHBondContact O-CE 3.34Å
176	E	97.6	Very high	97.1	Very high	137 Å²	137	61 Å²	61	64%	0.64	32%	0.315	S	S	*	.			trans	-97.3	150	179	-63.8	-175.5	155.1	0	0	111.4	W170 D171 S174 V178	W170-E176 WeakPolarHBondContact CA-O 3.39Å; D171-E176 PolarHBondContact N-O 2.76Å; S174-E176 PolarHBondContact O-N 2.94Å; S174-E176 WeakPolarHBondContact OG-CB 3.2Å; S174-E176 PolarHBondContact OG-N 2.82Å; E176-V178 PolarHBondContact O-N 2.74Å
177	E	98.3	Very high	97	Very high	87 Å²	87	60.5 Å²	60.5	41%	0.407	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.5	172.4	-173.6	-178.3	119.9	0	0	109.9	R168 W170 T180	R168-E177 WeakPolarHBondContact CD-OE2 3.38Å; R168-E177 IonicContact CZ-OE2 2.86Å; R168-E177 IonicContact NE-OE2 3.53Å; R168-E177 IonicContact NH1-OE2 3.27Å; R168-E177 PolarHBondContact NH1-OE2 3.37Å; W170-E177 HydrophobicContact CE3-CB 3.83Å; W170-E177 HydrophobicContact CE3-CG 4.41Å; W170-E177 HydrophobicContact CZ3-CB 3.77Å; W170-E177 HydrophobicContact CZ3-CG 4.32Å; E177-T180 PolarHBondContact OE1-OG1 2.57Å; E177-T180 PolarHBondContact OE2-OG1 2.93Å
178	V	97.7	Very high	96.9	Very high	76 Å²	76	62.3 Å²	62.3	46%	0.461	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-48.5	176.8	178.4	0	0	0	0	110.5	L169 D171 E176	L169-V178 HydrophobicContact CB-CB 4.47Å; L169-V178 HydrophobicContact CD2-CB 4.22Å; L169-V178 HydrophobicContact CD2-CG1 4.05Å; L169-V178 HydrophobicContact CG-CB 4.21Å; L169-V178 WeakPolarHBondContact O-CB 3.39Å; L169-V178 PolarHBondContact O-N 3.27Å; D171-V178 HydrophobicContact CB-CG2 3.94Å; E176-V178 PolarHBondContact O-N 2.74Å
179	K	97.9	Very high	96.8	Very high	75 Å²	75	61.5 Å²	61.5	33%	0.326	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	150.6	-177.6	-168	167	172	-178.9	0	111.3	R168 L169 S214 L215 D216	R168-K179 WeakPolarHBondContact CA-O 3.47Å; L169-K179 PolarHBondContact N-O 3.41Å; L169-K179 PolarHBondContact O-N 2.78Å; K179-S214 VanDerWaalsContact CD-O 3.26Å; K179-S214 WeakPolarHBondContact CD-O 3.18Å; K179-S214 WeakPolarHBondContact CE-O 3.39Å; K179-S214 PolarHBondContact NZ-O 3.43Å; K179-L215 HydrophobicContact CB-CD1 4Å; K179-L215 HydrophobicContact CD-CB 3.98Å; K179-L215 HydrophobicContact CD-CD1 4.43Å; K179-L215 HydrophobicContact CD-CG 4.48Å; K179-L215 HydrophobicContact CG-CB 4.46Å; K179-L215 HydrophobicContact CG-CD1 4.07Å; K179-D216 IonicContact NZ-OD1 2.95Å; K179-D216 PolarHBondContact NZ-OD1 2.72Å; K179-D216 VanDerWaalsContact NZ-OD1 3.08Å
180	T	98.2	Very high	96.8	Very high	44 Å²	44	61.5 Å²	61.5	27%	0.27	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.4	177.7	-72.3	0	0	0	0	111.4	T166 V167 R168 E177	T166-T180 HydrophobicContact CG2-CG2 4.04Å; V167-T180 WeakPolarHBondContact O-CA 3.33Å; R168-T180 HydrophobicContact CG-CG2 4.11Å; R168-T180 WeakPolarHBondContact CG-OG1 3.31Å; E177-T180 PolarHBondContact OE1-OG1 2.57Å; E177-T180 PolarHBondContact OE2-OG1 2.93Å
181	L	98.3	Very high	96.8	Very high	25 Å²	25	62.5 Å²	62.5	13%	0.131	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.9	166	-62.3	176.5	0	0	0	109.3	T166 V167 F183 I201 Y210 L215	T166-L181 CarbonylContact C-O 3.59Å; T166-L181 WeakPolarHBondContact CA-O 3.46Å; T166-L181 WeakPolarHBondContact CB-O 3.38Å; V167-L181 HydrophobicContact CB-CB 4.37Å; V167-L181 PolarHBondContact N-O 2.79Å; V167-L181 PolarHBondContact O-N 2.99Å; L181-F183 HydrophobicContact CB-CE2 3.71Å; L181-F183 HydrophobicContact CB-CZ 4.02Å; L181-F183 HydrophobicContact CD1-CZ 4.18Å; L181-I201 HydrophobicContact CD1-CD1 4.35Å; L181-Y210 HydrophobicContact CD1-CD1 3.84Å; L181-Y210 HydrophobicContact CD1-CE1 3.71Å; L181-Y210 HydrophobicContact CD1-CE2 4.42Å; L181-Y210 HydrophobicContact CD1-CG 4.27Å; L181-Y210 HydrophobicContact CD2-CE1 4.25Å; L181-L215 HydrophobicContact CD1-CB 4.06Å; L181-L215 HydrophobicContact CD1-CD1 4.23Å; L181-L215 HydrophobicContact CD1-CD2 4.36Å; L181-L215 HydrophobicContact CD1-CG 4.47Å; L181-L215 HydrophobicContact CD2-CB 4.16Å; L181-L215 HydrophobicContact CG-CB 4.1Å; L181-L215 HydrophobicContact CG-CD1 3.94Å
182	T	98.1	Very high	96.8	Very high	112 Å²	112	62.2 Å²	62.2	69%	0.687	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.3	177.5	-56.7	0	0	0	0	109.7
183	F	97.1	Very high	96.8	Very high	13 Å²	13	62.3 Å²	62.3	6%	0.057	32%	0.323	C	S	.	.			trans	-121.5	153.1	-177.9	-60.2	-91.9	0	0	0	111	K165 V167 L181 T185 V187 I201 Y203 Y210	K165-F183 VanDerWaalsContact CB-O 3.24Å; K165-F183 WeakPolarHBondContact CB-O 3.31Å; K165-F183 WeakPolarHBondContact CD-O 3.49Å; K165-F183 WeakPolarHBondContact O-CD2 3.44Å; K165-F183 PolarHBondContact O-N 2.9Å; V167-F183 HydrophobicContact CB-CE2 4.02Å; V167-F183 HydrophobicContact CG2-CD2 4.49Å; V167-F183 HydrophobicContact CG2-CE2 3.71Å; V167-F183 HydrophobicContact CG2-CZ 4.42Å; L181-F183 HydrophobicContact CB-CE2 3.71Å; L181-F183 HydrophobicContact CB-CZ 4.02Å; L181-F183 HydrophobicContact CD1-CZ 4.18Å; F183-T185 VanDerWaalsContact CB-O 3.29Å; F183-T185 WeakPolarHBondContact CB-O 3.25Å; F183-T185 PolarHBondContact O-N 2.83Å; F183-V187 HydrophobicContact CD2-CG2 3.78Å; F183-V187 HydrophobicContact CE2-CG2 3.98Å; F183-V187 HydrophobicContact CG-CG2 4.16Å; F183-I201 HydrophobicContact CE1-CG2 4.42Å; F183-I201 HydrophobicContact CZ-CD1 3.98Å; F183-I201 HydrophobicContact CZ-CG2 4.17Å; F183-Y203 AromaticContact CD1-CD1 3.74Å; F183-Y203 HydrophobicContact CD1-CD1 3.74Å; F183-Y203 HydrophobicContact CD1-CD2 4.16Å; F183-Y203 AromaticContact CD1-CE1 3.58Å; F183-Y203 HydrophobicContact CD1-CE1 3.58Å; F183-Y203 HydrophobicContact CD1-CE2 4.02Å; F183-Y203 HydrophobicContact CD1-CG 4.03Å; F183-Y203 AromaticContact CD1-CZ 3.72Å; F183-Y203 AromaticContact CE1-CD1 3.83Å; F183-Y203 HydrophobicContact CE1-CD1 3.83Å; F183-Y203 AromaticContact CE1-CE1 3.45Å; F183-Y203 HydrophobicContact CE1-CE1 3.45Å; F183-Y203 VanDerWaalsContact CE1-CE1 3.45Å; F183-Y203 AromaticContact CE1-CZ 3.9Å; F183-Y210 HydrophobicContact CZ-CE2 4.45Å
184	D	94	Very high	96.6	Very high	151 Å²	151	54.4 Å²	54.4	81%	0.807	31%	0.307	S	S	*	.	S	Bend	trans	-70.8	-24.6	176.7	-65	-37.9	0	0	0	112.5	K165	K165-D184 WeakPolarHBondContact CD-O 3.36Å; K165-D184 WeakPolarHBondContact CE-O 3.44Å; K165-D184 PolarHBondContact NZ-O 3.14Å
185	T	93.9	Very high	96.2	Very high	63 Å²	63	57.1 Å²	57.1	39%	0.387	32%	0.316	S	S	.	.	S	Bend	trans	-127.3	157.5	179.7	62.7	0	0	0	0	110.5	F183	F183-T185 VanDerWaalsContact CB-O 3.29Å; F183-T185 WeakPolarHBondContact CB-O 3.25Å; F183-T185 PolarHBondContact O-N 2.83Å
186	S	93.4	Very high	95.7	Very high	42 Å²	42	57.1 Å²	57.1	29%	0.294	33%	0.328	S	S	.	.			trans	-64.7	136.4	176.8	-177.8	0	0	0	0	110.2	S188	S186-S188 PolarHBondContact O-N 3.48Å
187	V	96.1	Very high	95.6	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	31%	0.307	C	S	.	.			trans	-64.9	129	176.6	169.5	0	0	0	0	109.8	K147 A161 V167 F183 S189 I201 T202	K147-V187 WeakPolarHBondContact CE-O 3.39Å; K147-V187 PolarHBondContact NZ-O 3.02Å; A161-V187 HydrophobicContact CB-CB 4.43Å; A161-V187 HydrophobicContact CB-CG1 4.14Å; V167-V187 HydrophobicContact CG2-CG2 3.87Å; F183-V187 HydrophobicContact CD2-CG2 3.78Å; F183-V187 HydrophobicContact CE2-CG2 3.98Å; F183-V187 HydrophobicContact CG-CG2 4.16Å; V187-S189 VanDerWaalsContact CG1-O 3.26Å; V187-S189 WeakPolarHBondContact CG1-O 3.2Å; V187-I201 HydrophobicContact CB-CG2 4.32Å; V187-I201 HydrophobicContact CG1-CG2 3.59Å; V187-I201 HydrophobicContact CG2-CG2 3.75Å; V187-T202 CarbonylContact C-O 3.48Å
188	S	96.9	Very high	95.5	Very high	37 Å²	37	49 Å²	49	26%	0.259	29%	0.29	S	S	.	.			trans	-74.8	-54.9	178.9	-56.9	0	0	0	0	111.3	K147 S186 T202 I227 N228	K147-S188 PolarHBondContact NZ-O 2.75Å; S186-S188 PolarHBondContact O-N 3.48Å; S188-T202 WeakPolarHBondContact CB-O 3.35Å; S188-T202 PolarHBondContact N-O 2.77Å; S188-I227 VanDerWaalsContact CB-O 3.28Å; S188-I227 WeakPolarHBondContact CB-O 3.37Å; S188-I227 PolarHBondContact OG-O 2.94Å; S188-I227 VanDerWaalsContact OG-O 3.08Å; S188-N228 CarbonylContact C-O 3.53Å; S188-N228 WeakPolarHBondContact CB-O 3.48Å
189	S	97.1	Very high	95.6	Very high	17 Å²	17	45.3 Å²	45.3	12%	0.119	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	166.4	176.6	85.6	0	0	0	0	112.6	V187 T202 N228 S229	V187-S189 VanDerWaalsContact CG1-O 3.26Å; V187-S189 WeakPolarHBondContact CG1-O 3.2Å; S189-T202 PolarHBondContact N-OG1 2.83Å; S189-T202 PolarHBondContact O-N 3.48Å; S189-T202 VanDerWaalsContact O-N 3.08Å; S189-T202 PolarHBondContact OG-OG1 3.02Å; S189-N228 VanDerWaalsContact CB-O 3.27Å; S189-N228 WeakPolarHBondContact CB-O 3.49Å; S189-N228 PolarHBondContact N-O 3.45Å; S189-S229 WeakPolarHBondContact OG-CA 3.16Å
190	M	97.8	Very high	95.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.4	175.4	-171.1	170.7	69.9	0	0	109.6	K148 L150 L159 A161 V167 L199 V200 I201 R273	K148-M190 HydrophobicContact CB-CB 4.43Å; K148-M190 HydrophobicContact CB-CE 4.43Å; K148-M190 HydrophobicContact CG-CB 4.48Å; L150-M190 HydrophobicContact CD1-CE 3.96Å; L150-M190 HydrophobicContact CD1-CG 4.18Å; L150-M190 HydrophobicContact CG-CE 4.1Å; L159-M190 HydrophobicContact CB-CE 3.84Å; L159-M190 HydrophobicContact CB-SD 4.22Å; A161-M190 HydrophobicContact CB-CB 4.42Å; A161-M190 HydrophobicContact CB-CE 4.19Å; A161-M190 HydrophobicContact CB-SD 4Å; V167-M190 HydrophobicContact CG1-SD 3.88Å; M190-L199 HydrophobicContact CG-CD1 3.38Å; M190-L199 HydrophobicContact CG-CG 4.4Å; M190-L199 HydrophobicContact SD-CD1 3.86Å; M190-V200 CarbonylContact C-O 3.26Å; M190-V200 VanDerWaalsContact CA-O 3.31Å; M190-V200 WeakPolarHBondContact CA-O 3.45Å; M190-I201 HydrophobicContact CG-CG1 4.45Å; M190-R273 PolarHBondContact O-NH2 2.92Å; M190-R273 VanDerWaalsContact O-NH2 3.16Å
191	E	98.1	Very high	95.6	Very high	24 Å²	24	39.7 Å²	39.7	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139	173.4	-177.1	-173	-118.3	0	0	109.3	L193 L199 V200 S231 L232 R273	E191-L193 HydrophobicContact CG-CD1 4.04Å; E191-L193 WeakPolarHBondContact OE2-CD1 3.32Å; E191-L199 WeakPolarHBondContact O-CD1 3.3Å; E191-V200 HydrophobicContact CB-CB 4.3Å; E191-V200 PolarHBondContact N-O 2.92Å; E191-V200 PolarHBondContact O-N 3.28Å; E191-S231 WeakPolarHBondContact OE1-CB 3.47Å; E191-S231 PolarHBondContact OE1-OG 3.26Å; E191-S231 WeakPolarHBondContact OE2-CA 3.44Å; E191-S231 PolarHBondContact OE2-OG 3.07Å; E191-L232 PolarHBondContact OE2-N 3.36Å; E191-L232 VanDerWaalsContact OE2-N 3.15Å; E191-R273 WeakPolarHBondContact OE1-CD 3.28Å; E191-R273 IonicContact OE1-CZ 3.31Å; E191-R273 IonicContact OE1-NE 3.85Å; E191-R273 IonicContact OE1-NH1 2.74Å
192	Y	97.8	Very high	95.6	Very high	44 Å²	44	38.5 Å²	38.5	17%	0.173	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.2	176.4	167.9	-118.6	0	0	0	109.5	W151 C152 N153 A194 E197 A212	W151-Y192 VanDerWaalsContact O-CD1 3.31Å; W151-Y192 WeakPolarHBondContact O-CD1 3.46Å; C152-Y192 HydrophobicContact CB-CD1 3.97Å; C152-Y192 HydrophobicContact CB-CD2 4.26Å; C152-Y192 HydrophobicContact CB-CE1 3.61Å; C152-Y192 HydrophobicContact CB-CE2 3.92Å; C152-Y192 HydrophobicContact CB-CG 4.26Å; N153-Y192 PolarHBondContact N-OH 2.9Å; Y192-A194 HydrophobicContact CE1-CB 3.96Å; Y192-E197 WeakPolarHBondContact CE2-OE2 3.33Å; Y192-E197 VanDerWaalsContact CZ-OE2 3.27Å; Y192-E197 VanDerWaalsContact OH-CD 3.23Å; Y192-E197 PolarHBondContact OH-OE1 2.91Å; Y192-E197 PolarHBondContact OH-OE2 2.83Å; Y192-A212 HydrophobicContact CD2-CB 3.56Å; Y192-A212 HydrophobicContact CE2-CB 3.44Å; Y192-A212 VanDerWaalsContact CE2-CB 3.44Å
193	L	96.5	Very high	95.6	Very high	26 Å²	26	35.2 Å²	35.2	14%	0.136	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112.7	171.3	-68.9	84.9	0	0	0	107.7	E191 D195 E197 I198 V200 L232	E191-L193 HydrophobicContact CG-CD1 4.04Å; E191-L193 WeakPolarHBondContact OE2-CD1 3.32Å; L193-D195 VanDerWaalsContact C-N 3.33Å; L193-E197 WeakPolarHBondContact O-CA 3.33Å; L193-E197 PolarHBondContact O-N 3.16Å; L193-I198 PolarHBondContact N-O 3.38Å; L193-I198 PolarHBondContact O-N 2.74Å; L193-V200 HydrophobicContact CD1-CG2 3.92Å; L193-L232 HydrophobicContact CD1-CB 3.99Å; L193-L232 HydrophobicContact CD2-CB 3.89Å; L193-L232 HydrophobicContact CD2-CD2 4.15Å; L193-L232 HydrophobicContact CD2-CG 4.09Å
194	A	90.5	Very high	95.6	Very high	63 Å²	63	36 Å²	36	52%	0.521	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-41.6	179.3	0	0	0	0	0	111.5	Y192 G196 E197	Y192-A194 HydrophobicContact CE1-CB 3.96Å; A194-G196 PolarHBondContact O-N 2.61Å; A194-G196 VanDerWaalsContact O-N 3.11Å; A194-E197 PolarHBondContact O-N 3.28Å
195	D	88.5	Confident	95.8	Very high	117 Å²	117	33.2 Å²	33.2	63%	0.626	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	112	172.4	-179.6	29	0	0	0	110.4	L193 K236	L193-D195 VanDerWaalsContact C-N 3.33Å; D195-K236 VanDerWaalsContact CG-NZ 3.26Å; D195-K236 WeakPolarHBondContact O-CE 3.25Å; D195-K236 PolarHBondContact O-NZ 3.24Å; D195-K236 IonicContact OD1-NZ 3.65Å; D195-K236 IonicContact OD2-NZ 3.67Å; D195-K236 PolarHBondContact OD2-NZ 3.27Å
196	G	85.6	Confident	96	Very high	44 Å²	44	31.6 Å²	31.6	45%	0.454	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	0.2	-173.9	0	0	0	0	0	115.1	A194 I198	A194-G196 PolarHBondContact O-N 2.61Å; A194-G196 VanDerWaalsContact O-N 3.11Å; G196-I198 VanDerWaalsContact C-N 3.3Å; G196-I198 WeakPolarHBondContact O-CG1 3.35Å; G196-I198 PolarHBondContact O-N 2.81Å
197	E	95.1	Very high	96.3	Very high	43 Å²	43	29.6 Å²	29.6	20%	0.201	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	48.3	178.4	-62.2	-65.9	165.5	0	0	112.4	Y192 L193 A194 N211 A212 L213	Y192-E197 WeakPolarHBondContact CE2-OE2 3.33Å; Y192-E197 VanDerWaalsContact CZ-OE2 3.27Å; Y192-E197 VanDerWaalsContact OH-CD 3.23Å; Y192-E197 PolarHBondContact OH-OE1 2.91Å; Y192-E197 PolarHBondContact OH-OE2 2.83Å; L193-E197 WeakPolarHBondContact O-CA 3.33Å; L193-E197 PolarHBondContact O-N 3.16Å; A194-E197 PolarHBondContact O-N 3.28Å; E197-N211 CarbonylContact O-C 3.55Å; E197-N211 WeakPolarHBondContact O-CA 3.44Å; E197-A212 WeakPolarHBondContact O-CB 3.36Å; E197-A212 PolarHBondContact O-N 3.07Å; E197-L213 HydrophobicContact CB-CG 4.24Å; E197-L213 HydrophobicContact CG-CD1 3.99Å; E197-L213 HydrophobicContact CG-CG 4.14Å; E197-L213 WeakPolarHBondContact OE2-CD2 3.19Å
198	I	97.8	Very high	96.4	Very high	9 Å²	9	29.5 Å²	29.5	5%	0.046	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.9	-175.4	-61.3	-179.4	0	0	0	109.9	L193 G196 V200 F209 I218 L232 K236	L193-I198 PolarHBondContact N-O 3.38Å; L193-I198 PolarHBondContact O-N 2.74Å; G196-I198 VanDerWaalsContact C-N 3.3Å; G196-I198 WeakPolarHBondContact O-CG1 3.35Å; G196-I198 PolarHBondContact O-N 2.81Å; I198-V200 HydrophobicContact CG2-CG2 4.26Å; I198-F209 HydrophobicContact CG2-CD1 4Å; I198-I218 HydrophobicContact CG1-CD1 4.47Å; I198-L232 HydrophobicContact CB-CD2 4.39Å; I198-L232 HydrophobicContact CD1-CD2 3.76Å; I198-L232 HydrophobicContact CG2-CD2 3.91Å; I198-K236 HydrophobicContact CD1-CD 3.78Å; I198-K236 HydrophobicContact CD1-CG 4.37Å
199	L	98.5	Very high	96.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.5	170.7	-179.2	59.7	0	0	0	109.7	L159 V167 M190 E191 I201 F209 Y210 A212 L215	L159-L199 HydrophobicContact CD1-CD1 3.76Å; L159-L199 HydrophobicContact CD1-CD2 3.98Å; L159-L199 HydrophobicContact CD1-CG 4.36Å; L159-L199 HydrophobicContact CD2-CD2 3.86Å; V167-L199 HydrophobicContact CG1-CD2 4.36Å; M190-L199 HydrophobicContact CG-CD1 3.38Å; M190-L199 HydrophobicContact CG-CG 4.4Å; M190-L199 HydrophobicContact SD-CD1 3.86Å; E191-L199 WeakPolarHBondContact O-CD1 3.3Å; L199-I201 HydrophobicContact CD1-CG1 4.49Å; L199-I201 HydrophobicContact CD2-CD1 3.84Å; L199-I201 HydrophobicContact CD2-CG1 4.22Å; L199-I201 HydrophobicContact CG-CD1 4.07Å; L199-I201 HydrophobicContact CG-CG1 3.91Å; L199-F209 WeakPolarHBondContact O-CA 3.21Å; L199-Y210 PolarHBondContact N-O 2.83Å; L199-Y210 PolarHBondContact O-N 2.83Å; L199-A212 HydrophobicContact CB-CB 4.01Å; L199-L215 HydrophobicContact CD2-CD2 3.84Å
200	V	98.7	Very high	96.6	Very high	1 Å²	1	28 Å²	28	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.7	174.6	-168.8	0	0	0	0	108.7	M190 E191 L193 I198 I207 F209 A230 L232	M190-V200 CarbonylContact C-O 3.26Å; M190-V200 VanDerWaalsContact CA-O 3.31Å; M190-V200 WeakPolarHBondContact CA-O 3.45Å; E191-V200 HydrophobicContact CB-CB 4.3Å; E191-V200 PolarHBondContact N-O 2.92Å; E191-V200 PolarHBondContact O-N 3.28Å; L193-V200 HydrophobicContact CD1-CG2 3.92Å; I198-V200 HydrophobicContact CG2-CG2 4.26Å; V200-I207 HydrophobicContact CG1-CG2 3.89Å; V200-F209 HydrophobicContact CB-CD1 4.48Å; V200-F209 HydrophobicContact CB-CE1 4.44Å; V200-F209 HydrophobicContact CG1-CD1 4.32Å; V200-F209 HydrophobicContact CG1-CE1 3.95Å; V200-F209 HydrophobicContact CG1-CZ 4.44Å; V200-F209 HydrophobicContact CG2-CD1 3.83Å; V200-F209 HydrophobicContact CG2-CE1 3.78Å; V200-A230 HydrophobicContact CG1-CB 4.04Å; V200-L232 HydrophobicContact CG2-CB 4.03Å
201	I	98.7	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.4	179.9	-58.4	175.4	0	0	0	108.3	V167 L181 F183 V187 M190 L199 Y203 A208 Y210	V167-I201 HydrophobicContact CB-CD1 4.38Å; V167-I201 HydrophobicContact CG1-CD1 4.26Å; V167-I201 HydrophobicContact CG2-CD1 4.06Å; L181-I201 HydrophobicContact CD1-CD1 4.35Å; F183-I201 HydrophobicContact CE1-CG2 4.42Å; F183-I201 HydrophobicContact CZ-CD1 3.98Å; F183-I201 HydrophobicContact CZ-CG2 4.17Å; V187-I201 HydrophobicContact CB-CG2 4.32Å; V187-I201 HydrophobicContact CG1-CG2 3.59Å; V187-I201 HydrophobicContact CG2-CG2 3.75Å; M190-I201 HydrophobicContact CG-CG1 4.45Å; L199-I201 HydrophobicContact CD1-CG1 4.49Å; L199-I201 HydrophobicContact CD2-CD1 3.84Å; L199-I201 HydrophobicContact CD2-CG1 4.22Å; L199-I201 HydrophobicContact CG-CD1 4.07Å; L199-I201 HydrophobicContact CG-CG1 3.91Å; I201-Y203 HydrophobicContact CG2-CD1 4.01Å; I201-A208 PolarHBondContact N-O 3.18Å; I201-A208 PolarHBondContact O-N 3.28Å; I201-Y210 HydrophobicContact CD1-CD2 3.79Å; I201-Y210 HydrophobicContact CD1-CE2 3.92Å; I201-Y210 HydrophobicContact CG1-CD2 4.37Å
202	T	98.6	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.5	173.5	55.9	0	0	0	0	110.6	V187 S188 S189 T206 I207 I227 N228 A230	V187-T202 CarbonylContact C-O 3.48Å; S188-T202 WeakPolarHBondContact CB-O 3.35Å; S188-T202 PolarHBondContact N-O 2.77Å; S189-T202 PolarHBondContact N-OG1 2.83Å; S189-T202 PolarHBondContact O-N 3.48Å; S189-T202 VanDerWaalsContact O-N 3.08Å; S189-T202 PolarHBondContact OG-OG1 3.02Å; T202-T206 WeakPolarHBondContact CA-O 3.47Å; T202-I207 HydrophobicContact CG2-CG1 4.1Å; T202-I207 HydrophobicContact CG2-CG2 4.35Å; T202-I227 HydrophobicContact CG2-CG2 3.67Å; T202-N228 PolarHBondContact OG1-O 2.86Å; T202-N228 VanDerWaalsContact OG1-O 3.14Å; T202-A230 HydrophobicContact CG2-CB 3.47Å; T202-A230 VanDerWaalsContact CG2-CB 3.47Å
203	Y	97.8	Very high	96.3	Very high	43 Å²	43	29.5 Å²	29.5	17%	0.169	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	131.7	175.5	58.6	-84.7	0	0	0	110.5	F183 I201 K205 T206 A208	F183-Y203 AromaticContact CD1-CD1 3.74Å; F183-Y203 HydrophobicContact CD1-CD1 3.74Å; F183-Y203 HydrophobicContact CD1-CD2 4.16Å; F183-Y203 AromaticContact CD1-CE1 3.58Å; F183-Y203 HydrophobicContact CD1-CE1 3.58Å; F183-Y203 HydrophobicContact CD1-CE2 4.02Å; F183-Y203 HydrophobicContact CD1-CG 4.03Å; F183-Y203 AromaticContact CD1-CZ 3.72Å; F183-Y203 AromaticContact CE1-CD1 3.83Å; F183-Y203 HydrophobicContact CE1-CD1 3.83Å; F183-Y203 AromaticContact CE1-CE1 3.45Å; F183-Y203 HydrophobicContact CE1-CE1 3.45Å; F183-Y203 VanDerWaalsContact CE1-CE1 3.45Å; F183-Y203 AromaticContact CE1-CZ 3.9Å; I201-Y203 HydrophobicContact CG2-CD1 4.01Å; Y203-K205 PolarHBondContact O-N 2.99Å; Y203-K205 VanDerWaalsContact O-N 3.17Å; Y203-T206 HydrophobicContact CE1-CG2 3.94Å; Y203-T206 HydrophobicContact CE2-CG2 4.15Å; Y203-T206 PolarHBondContact N-O 2.88Å; Y203-T206 WeakPolarHBondContact O-CB 3.29Å; Y203-T206 PolarHBondContact O-N 3.35Å; Y203-A208 HydrophobicContact CE1-CB 3.82Å
204	G	97	Very high	96.3	Very high	30 Å²	30	30.1 Å²	30.1	31%	0.309	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-124.5	-171.6	0	0	0	0	0	110.5	P226 I227	G204-P226 CarbonylContact O-C 3.56Å; G204-P226 WeakPolarHBondContact O-CA 2.95Å; G204-I227 PolarHBondContact O-N 3.4Å
205	K	97.8	Very high	96.6	Very high	91 Å²	91	27.3 Å²	27.3	40%	0.396	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.1	175.2	-59.6	-167.7	177	-162.4	0	114.4	Y203 E222 A223 P224 P226	Y203-K205 PolarHBondContact O-N 2.99Å; Y203-K205 VanDerWaalsContact O-N 3.17Å; K205-E222 HydrophobicContact CB-CG 4.18Å; K205-A223 PolarHBondContact O-N 3.4Å; K205-P224 PolarHBondContact NZ-O 2.86Å; K205-P226 HydrophobicContact CG-CG 4.45Å
206	T	98.4	Very high	97	Very high	30 Å²	30	26 Å²	26	18%	0.184	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	132.1	-171.6	-55.2	0	0	0	0	110.8	T202 Y203 A208 T220	T202-T206 WeakPolarHBondContact CA-O 3.47Å; Y203-T206 HydrophobicContact CE1-CG2 3.94Å; Y203-T206 HydrophobicContact CE2-CG2 4.15Å; Y203-T206 PolarHBondContact N-O 2.88Å; Y203-T206 WeakPolarHBondContact O-CB 3.29Å; Y203-T206 PolarHBondContact O-N 3.35Å; T206-A208 HydrophobicContact CG2-CB 4.29Å; T206-T220 HydrophobicContact CG2-CG2 4.08Å
207	I	98.7	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.6	156.8	-53.8	99.8	0	0	0	107.1	V200 T202 F209 T220 V221 A223 I227 A230 F239 A241 F251	V200-I207 HydrophobicContact CG1-CG2 3.89Å; T202-I207 HydrophobicContact CG2-CG1 4.1Å; T202-I207 HydrophobicContact CG2-CG2 4.35Å; I207-F209 HydrophobicContact CG2-CE2 3.75Å; I207-F209 HydrophobicContact CG2-CZ 3.79Å; I207-T220 CarbonylContact O-C 3.56Å; I207-T220 WeakPolarHBondContact O-CA 3.21Å; I207-V221 PolarHBondContact N-O 3.38Å; I207-V221 PolarHBondContact O-N 3.35Å; I207-A223 HydrophobicContact CD1-CB 3.97Å; I207-I227 HydrophobicContact CD1-CG1 3.93Å; I207-I227 HydrophobicContact CG1-CG1 4.36Å; I207-I227 HydrophobicContact CG1-CG2 4.21Å; I207-A230 HydrophobicContact CG1-CB 4.1Å; I207-A230 HydrophobicContact CG2-CB 3.88Å; I207-F239 HydrophobicContact CB-CE2 4.2Å; I207-F239 HydrophobicContact CD1-CE2 4.08Å; I207-F239 HydrophobicContact CG1-CE2 4.16Å; I207-F239 HydrophobicContact CG2-CD2 4.4Å; I207-F239 HydrophobicContact CG2-CE2 4.04Å; I207-A241 HydrophobicContact CD1-CB 4.26Å; I207-A241 HydrophobicContact CG1-CB 4.38Å; I207-F251 HydrophobicContact CD1-CE2 4.41Å
208	A	98.6	Very high	97.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.5	179.7	0	0	0	0	0	110.6	I201 Y203 T206 Y210 L217 T220	I201-A208 PolarHBondContact N-O 3.18Å; I201-A208 PolarHBondContact O-N 3.28Å; Y203-A208 HydrophobicContact CE1-CB 3.82Å; T206-A208 HydrophobicContact CG2-CB 4.29Å; A208-Y210 HydrophobicContact CB-CD2 4.19Å; A208-Y210 HydrophobicContact CB-CE2 3.5Å; A208-Y210 VanDerWaalsContact CB-CE2 3.5Å; A208-L217 HydrophobicContact CB-CD1 4.3Å; A208-T220 HydrophobicContact CB-CG2 3.94Å
209	F	98.6	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.6	178.2	-59.7	-91.9	0	0	0	108.4	I198 L199 V200 I207 I218 K219 V221 L232 F239 Y253	I198-F209 HydrophobicContact CG2-CD1 4Å; L199-F209 WeakPolarHBondContact O-CA 3.21Å; V200-F209 HydrophobicContact CB-CD1 4.48Å; V200-F209 HydrophobicContact CB-CE1 4.44Å; V200-F209 HydrophobicContact CG1-CD1 4.32Å; V200-F209 HydrophobicContact CG1-CE1 3.95Å; V200-F209 HydrophobicContact CG1-CZ 4.44Å; V200-F209 HydrophobicContact CG2-CD1 3.83Å; V200-F209 HydrophobicContact CG2-CE1 3.78Å; I207-F209 HydrophobicContact CG2-CE2 3.75Å; I207-F209 HydrophobicContact CG2-CZ 3.79Å; F209-I218 HydrophobicContact CB-CB 4.36Å; F209-I218 WeakPolarHBondContact O-CA 3.48Å; F209-I218 WeakPolarHBondContact O-CB 3.28Å; F209-I218 PolarHBondContact O-N 2.72Å; F209-K219 HydrophobicContact CB-CG 4.06Å; F209-K219 HydrophobicContact CD2-CD 4.32Å; F209-K219 HydrophobicContact CD2-CG 3.68Å; F209-K219 HydrophobicContact CG-CG 4.18Å; F209-K219 PolarHBondContact N-O 2.88Å; F209-K219 PolarHBondContact O-N 3.08Å; F209-V221 HydrophobicContact CE2-CG2 4.38Å; F209-L232 HydrophobicContact CD1-CD2 4.41Å; F209-L232 HydrophobicContact CE1-CB 4.34Å; F209-L232 HydrophobicContact CE1-CD1 4.19Å; F209-L232 HydrophobicContact CE1-CD2 4.25Å; F209-F239 HydrophobicContact CE2-CD1 4.32Å; F209-F239 HydrophobicContact CE2-CE1 4.02Å; F209-F239 HydrophobicContact CE2-CE2 4.46Å; F209-F239 HydrophobicContact CE2-CZ 4.09Å; F209-F239 HydrophobicContact CZ-CB 4.35Å; F209-F239 AromaticContact CZ-CD1 3.69Å; F209-F239 HydrophobicContact CZ-CD1 3.69Å; F209-F239 AromaticContact CZ-CD2 4Å; F209-F239 HydrophobicContact CZ-CD2 4Å; F209-F239 AromaticContact CZ-CE1 3.86Å; F209-F239 HydrophobicContact CZ-CE1 3.86Å; F209-F239 HydrophobicContact CZ-CE2 4.15Å; F209-F239 AromaticContact CZ-CG 3.76Å; F209-F239 HydrophobicContact CZ-CG 3.76Å; F209-F239 HydrophobicContact CZ-CZ 4.08Å; F209-Y253 HydrophobicContact CD1-CD2 4.41Å; F209-Y253 AromaticContact CD1-CE2 3.6Å; F209-Y253 HydrophobicContact CD1-CE2 3.6Å; F209-Y253 HydrophobicContact CD2-CE2 4.1Å; F209-Y253 HydrophobicContact CE1-CD2 4.03Å; F209-Y253 AromaticContact CE1-CE2 3.67Å; F209-Y253 HydrophobicContact CE1-CE2 3.67Å; F209-Y253 HydrophobicContact CE2-CD2 4.34Å; F209-Y253 HydrophobicContact CE2-CE2 4.16Å; F209-Y253 AromaticContact CG-CE2 3.81Å; F209-Y253 HydrophobicContact CG-CE2 3.81Å; F209-Y253 AromaticContact CZ-CD2 3.99Å; F209-Y253 HydrophobicContact CZ-CD2 3.99Å; F209-Y253 AromaticContact CZ-CE2 3.95Å; F209-Y253 HydrophobicContact CZ-CE2 3.95Å
210	Y	98.6	Very high	97.7	Very high	21 Å²	21	33.9 Å²	33.9	8%	0.082	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	156.3	178.1	-67.5	-99.9	0	0	0	109.6	L181 F183 L199 I201 A208 A212 L215 D216 L217 I218	L181-Y210 HydrophobicContact CD1-CD1 3.84Å; L181-Y210 HydrophobicContact CD1-CE1 3.71Å; L181-Y210 HydrophobicContact CD1-CE2 4.42Å; L181-Y210 HydrophobicContact CD1-CG 4.27Å; L181-Y210 HydrophobicContact CD2-CE1 4.25Å; F183-Y210 HydrophobicContact CZ-CE2 4.45Å; L199-Y210 PolarHBondContact N-O 2.83Å; L199-Y210 PolarHBondContact O-N 2.83Å; I201-Y210 HydrophobicContact CD1-CD2 3.79Å; I201-Y210 HydrophobicContact CD1-CE2 3.92Å; I201-Y210 HydrophobicContact CG1-CD2 4.37Å; A208-Y210 HydrophobicContact CB-CD2 4.19Å; A208-Y210 HydrophobicContact CB-CE2 3.5Å; A208-Y210 VanDerWaalsContact CB-CE2 3.5Å; Y210-A212 PolarHBondContact O-N 3.44Å; Y210-L215 WeakPolarHBondContact CD1-O 3.39Å; Y210-D216 CarbonylContact C-O 3.59Å; Y210-D216 VanDerWaalsContact CA-O 3.25Å; Y210-D216 WeakPolarHBondContact CA-O 3.17Å; Y210-L217 VanDerWaalsContact CD1-CA 3.49Å; Y210-L217 HydrophobicContact CD1-CB 3.99Å; Y210-L217 HydrophobicContact CD1-CD1 4.22Å; Y210-L217 HydrophobicContact CD2-CD1 4.28Å; Y210-L217 HydrophobicContact CE1-CB 3.68Å; Y210-L217 HydrophobicContact CE1-CD1 3.78Å; Y210-L217 HydrophobicContact CE1-CG 4.32Å; Y210-L217 HydrophobicContact CE2-CD1 3.86Å; Y210-L217 HydrophobicContact CG-CD1 4.45Å; Y210-I218 VanDerWaalsContact C-CD1 3.46Å
211	N	97.8	Very high	97.7	Very high	47 Å²	47	34.2 Å²	34.2	25%	0.251	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	127	157.7	-179	-85.7	0	0	0	107.9	E197 L213 S214 L215 D216	E197-N211 CarbonylContact O-C 3.55Å; E197-N211 WeakPolarHBondContact O-CA 3.44Å; N211-L213 VanDerWaalsContact C-N 3.29Å; N211-L213 PolarHBondContact O-N 3.35Å; N211-L213 PolarHBondContact OD1-N 2.87Å; N211-S214 PolarHBondContact OD1-N 3.27Å; N211-S214 PolarHBondContact OD1-OG 3.16Å; N211-L215 WeakPolarHBondContact O-CA 3.21Å; N211-L215 PolarHBondContact O-N 2.85Å; N211-D216 PolarHBondContact N-O 3.18Å
212	A	96.1	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-30.3	-173.8	0	0	0	0	0	113.1	L159 Y192 E197 L199 Y210	L159-A212 HydrophobicContact CD1-CB 4.27Å; Y192-A212 HydrophobicContact CD2-CB 3.56Å; Y192-A212 HydrophobicContact CE2-CB 3.44Å; Y192-A212 VanDerWaalsContact CE2-CB 3.44Å; E197-A212 WeakPolarHBondContact O-CB 3.36Å; E197-A212 PolarHBondContact O-N 3.07Å; L199-A212 HydrophobicContact CB-CB 4.01Å; Y210-A212 PolarHBondContact O-N 3.44Å
213	L	94.4	Very high	97.7	Very high	54 Å²	54	41.6 Å²	41.6	28%	0.283	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-44.1	-174.4	-51.9	-170.4	0	0	0	111.8	N153 L169 E197 N211	N153-L213 HydrophobicContact CB-CD2 3.49Å; N153-L213 VanDerWaalsContact CB-CD2 3.49Å; L169-L213 WeakPolarHBondContact CD2-O 3.27Å; E197-L213 HydrophobicContact CB-CG 4.24Å; E197-L213 HydrophobicContact CG-CD1 3.99Å; E197-L213 HydrophobicContact CG-CG 4.14Å; E197-L213 WeakPolarHBondContact OE2-CD2 3.19Å; N211-L213 VanDerWaalsContact C-N 3.29Å; N211-L213 PolarHBondContact O-N 3.35Å; N211-L213 PolarHBondContact OD1-N 2.87Å
214	S	95.7	Very high	97.6	Very high	40 Å²	40	42.8 Å²	42.8	28%	0.28	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-17	179.6	77	0	0	0	0	113	K179 N211 D216	K179-S214 VanDerWaalsContact CD-O 3.26Å; K179-S214 WeakPolarHBondContact CD-O 3.18Å; K179-S214 WeakPolarHBondContact CE-O 3.39Å; K179-S214 PolarHBondContact NZ-O 3.43Å; N211-S214 PolarHBondContact OD1-N 3.27Å; N211-S214 PolarHBondContact OD1-OG 3.16Å; S214-D216 VanDerWaalsContact CB-OD2 3.23Å; S214-D216 WeakPolarHBondContact CB-OD2 3.4Å; S214-D216 PolarHBondContact O-N 3.46Å; S214-D216 WeakPolarHBondContact OG-CB 3.41Å; S214-D216 PolarHBondContact OG-N 2.77Å; S214-D216 PolarHBondContact OG-OD2 2.71Å
215	L	97.1	Very high	97.6	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	22%	0.223	C	C	.	.			trans	53.9	29.4	-167.7	-56.6	-173.1	0	0	0	113.7	L159 L169 K179 L181 L199 Y210 N211	L159-L215 HydrophobicContact CD2-CD2 3.86Å; L169-L215 HydrophobicContact CB-CD1 3.88Å; L169-L215 HydrophobicContact CB-CG 4.34Å; L169-L215 HydrophobicContact CD2-CG 4.5Å; K179-L215 HydrophobicContact CB-CD1 4Å; K179-L215 HydrophobicContact CD-CB 3.98Å; K179-L215 HydrophobicContact CD-CD1 4.43Å; K179-L215 HydrophobicContact CD-CG 4.48Å; K179-L215 HydrophobicContact CG-CB 4.46Å; K179-L215 HydrophobicContact CG-CD1 4.07Å; L181-L215 HydrophobicContact CD1-CB 4.06Å; L181-L215 HydrophobicContact CD1-CD1 4.23Å; L181-L215 HydrophobicContact CD1-CD2 4.36Å; L181-L215 HydrophobicContact CD1-CG 4.47Å; L181-L215 HydrophobicContact CD2-CB 4.16Å; L181-L215 HydrophobicContact CG-CB 4.1Å; L181-L215 HydrophobicContact CG-CD1 3.94Å; L199-L215 HydrophobicContact CD2-CD2 3.84Å; Y210-L215 WeakPolarHBondContact CD1-O 3.39Å; N211-L215 WeakPolarHBondContact O-CA 3.21Å; N211-L215 PolarHBondContact O-N 2.85Å
216	D	97.4	Very high	97.7	Very high	89 Å²	89	40.3 Å²	40.3	48%	0.476	22%	0.221	S	C	.	.			trans	-83.6	135.2	172.7	-59.7	-35.2	0	0	0	110.2	K179 Y210 N211 S214 I218	K179-D216 IonicContact NZ-OD1 2.95Å; K179-D216 PolarHBondContact NZ-OD1 2.72Å; K179-D216 VanDerWaalsContact NZ-OD1 3.08Å; Y210-D216 CarbonylContact C-O 3.59Å; Y210-D216 VanDerWaalsContact CA-O 3.25Å; Y210-D216 WeakPolarHBondContact CA-O 3.17Å; N211-D216 PolarHBondContact N-O 3.18Å; S214-D216 VanDerWaalsContact CB-OD2 3.23Å; S214-D216 WeakPolarHBondContact CB-OD2 3.4Å; S214-D216 PolarHBondContact O-N 3.46Å; S214-D216 WeakPolarHBondContact OG-CB 3.41Å; S214-D216 PolarHBondContact OG-N 2.77Å; S214-D216 PolarHBondContact OG-OD2 2.71Å; D216-I218 PolarHBondContact O-N 3.42Å
217	L	98.4	Very high	97.7	Very high	95 Å²	95	38.9 Å²	38.9	50%	0.497	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	121.9	-179.4	179	67.7	0	0	0	109.8	A208 Y210 T220	A208-L217 HydrophobicContact CB-CD1 4.3Å; Y210-L217 VanDerWaalsContact CD1-CA 3.49Å; Y210-L217 HydrophobicContact CD1-CB 3.99Å; Y210-L217 HydrophobicContact CD1-CD1 4.22Å; Y210-L217 HydrophobicContact CD2-CD1 4.28Å; Y210-L217 HydrophobicContact CE1-CB 3.68Å; Y210-L217 HydrophobicContact CE1-CD1 3.78Å; Y210-L217 HydrophobicContact CE1-CG 4.32Å; Y210-L217 HydrophobicContact CE2-CD1 3.86Å; Y210-L217 HydrophobicContact CG-CD1 4.45Å; L217-T220 HydrophobicContact CD1-CG2 3.81Å; L217-T220 HydrophobicContact CD2-CG2 4.16Å
218	I	98.1	Very high	97.6	Very high	77 Å²	77	40.3 Å²	40.3	40%	0.395	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-55.9	173.5	-58.4	170.4	0	0	0	109	I198 F209 Y210 D216	I198-I218 HydrophobicContact CG1-CD1 4.47Å; F209-I218 HydrophobicContact CB-CB 4.36Å; F209-I218 WeakPolarHBondContact O-CA 3.48Å; F209-I218 WeakPolarHBondContact O-CB 3.28Å; F209-I218 PolarHBondContact O-N 2.72Å; Y210-I218 VanDerWaalsContact C-CD1 3.46Å; D216-I218 PolarHBondContact O-N 3.42Å
219	K	97.6	Very high	97.6	Very high	37 Å²	37	40.4 Å²	40.4	16%	0.161	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	160.6	-179.5	66.8	-176.7	75.9	179.5	0	112.3	F209 Y253	F209-K219 HydrophobicContact CB-CG 4.06Å; F209-K219 HydrophobicContact CD2-CD 4.32Å; F209-K219 HydrophobicContact CD2-CG 3.68Å; F209-K219 HydrophobicContact CG-CG 4.18Å; F209-K219 PolarHBondContact N-O 2.88Å; F209-K219 PolarHBondContact O-N 3.08Å; K219-Y253 HydrophobicContact CD-CD2 4.41Å; K219-Y253 HydrophobicContact CD-CE2 3.98Å; K219-Y253 WeakPolarHBondContact CD-O 3.31Å; K219-Y253 PolarHBondContact NZ-O 3.36Å
220	T	98.3	Very high	97.6	Very high	54 Å²	54	40.4 Å²	40.4	33%	0.331	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153.5	167.8	57.7	0	0	0	0	111	T206 I207 A208 L217 K256	T206-T220 HydrophobicContact CG2-CG2 4.08Å; I207-T220 CarbonylContact O-C 3.56Å; I207-T220 WeakPolarHBondContact O-CA 3.21Å; A208-T220 HydrophobicContact CB-CG2 3.94Å; L217-T220 HydrophobicContact CD1-CG2 3.81Å; L217-T220 HydrophobicContact CD2-CG2 4.16Å; T220-K256 WeakPolarHBondContact O-CD 3.46Å; T220-K256 PolarHBondContact O-NZ 3.46Å; T220-K256 VanDerWaalsContact O-NZ 3.12Å
221	V	98.5	Very high	97.6	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.048	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.5	170	-174.7	0	0	0	0	108	I207 F209 F239 F251 K256	I207-V221 PolarHBondContact N-O 3.38Å; I207-V221 PolarHBondContact O-N 3.35Å; F209-V221 HydrophobicContact CE2-CG2 4.38Å; V221-F239 HydrophobicContact CB-CZ 3.92Å; V221-F239 HydrophobicContact CG1-CZ 4.07Å; V221-F239 HydrophobicContact CG2-CE1 4.08Å; V221-F239 HydrophobicContact CG2-CZ 3.69Å; V221-F251 HydrophobicContact CG1-CD1 4.13Å; V221-F251 HydrophobicContact CG1-CE1 4.3Å; V221-F251 HydrophobicContact CG1-CG 4.49Å; V221-K256 HydrophobicContact CG1-CB 4.32Å; V221-K256 HydrophobicContact CG2-CB 3.79Å; V221-K256 HydrophobicContact CG2-CD 4.13Å; V221-K256 HydrophobicContact CG2-CG 3.78Å
222	E	98.2	Very high	97.7	Very high	150 Å²	150	37.4 Å²	37.4	70%	0.701	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.3	175.5	-171.5	171.8	-179.5	0	0	109.5	K205	K205-E222 HydrophobicContact CB-CG 4.18Å
223	A	97.9	Very high	97.8	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.033	21%	0.21	C	C	.	.			trans	-89.5	160	179.4	0	0	0	0	0	111.9	K205 I207 A225 I227 F251	K205-A223 PolarHBondContact O-N 3.4Å; I207-A223 HydrophobicContact CD1-CB 3.97Å; A223-A225 PolarHBondContact O-N 2.68Å; A223-I227 HydrophobicContact CB-CD1 3.6Å; A223-I227 HydrophobicContact CB-CG1 3.51Å; A223-F251 HydrophobicContact CB-CZ 4.19Å
224	P	97	Very high	97.9	Very high	69 Å²	69	37.2 Å²	37.2	45%	0.448	21%	0.207	S	C	.	.	S	Bend	trans	-61	-30.5	179	-26	36.7	0	0	0	114.1	K205 Y249	K205-P224 PolarHBondContact NZ-O 2.86Å; P224-Y249 HydrophobicContact CB-CE1 4.32Å; P224-Y249 HydrophobicContact CG-CD1 4.44Å; P224-Y249 HydrophobicContact CG-CE1 3.74Å
225	A	97.4	Very high	97.9	Very high	11 Å²	11	42.4 Å²	42.4	9%	0.091	23%	0.227	C	C	.	.	S	Bend	trans	-132.8	164.6	-176.7	0	0	0	0	0	111.5	A223 I227 D245	A223-A225 PolarHBondContact O-N 2.68Å; A225-I227 PolarHBondContact O-N 3.15Å; A225-D245 HydrophobicContact CB-CB 3.87Å; A225-D245 VanDerWaalsContact CB-CG 3.49Å
226	P	98.2	Very high	97.9	Very high	57 Å²	57	44.5 Å²	44.5	37%	0.37	24%	0.236	S	C	.	.			trans	-55.4	135.9	173	-25.7	35.8	0	0	0	112.1	G204 K205 G243 D244	G204-P226 CarbonylContact O-C 3.56Å; G204-P226 WeakPolarHBondContact O-CA 2.95Å; K205-P226 HydrophobicContact CG-CG 4.45Å; P226-G243 WeakPolarHBondContact O-CA 3.14Å; P226-D244 HydrophobicContact CB-CB 4.22Å; P226-D244 PolarHBondContact O-N 3.02Å
227	I	98.3	Very high	97.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.5	-177.1	-59.8	-55.7	0	0	0	109.5	S188 T202 G204 I207 A223 A225 S229 A241 Y249	S188-I227 VanDerWaalsContact CB-O 3.28Å; S188-I227 WeakPolarHBondContact CB-O 3.37Å; S188-I227 PolarHBondContact OG-O 2.94Å; S188-I227 VanDerWaalsContact OG-O 3.08Å; T202-I227 HydrophobicContact CG2-CG2 3.67Å; G204-I227 PolarHBondContact O-N 3.4Å; I207-I227 HydrophobicContact CD1-CG1 3.93Å; I207-I227 HydrophobicContact CG1-CG1 4.36Å; I207-I227 HydrophobicContact CG1-CG2 4.21Å; A223-I227 HydrophobicContact CB-CD1 3.6Å; A223-I227 HydrophobicContact CB-CG1 3.51Å; A225-I227 PolarHBondContact O-N 3.15Å; I227-S229 VanDerWaalsContact CG2-O 3.32Å; I227-S229 WeakPolarHBondContact CG2-O 3.36Å; I227-A241 HydrophobicContact CD1-CB 4.06Å; I227-A241 HydrophobicContact CG1-CB 4.45Å; I227-A241 HydrophobicContact CG2-CB 3.91Å; I227-Y249 HydrophobicContact CD1-CD2 4.12Å; I227-Y249 HydrophobicContact CD1-CE2 4.32Å
228	N	98.3	Very high	97.8	Very high	31 Å²	31	40 Å²	40	17%	0.166	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-40.5	175.9	-68.6	-44.3	0	0	0	110.6	S188 S189 T202 G242 V269	S188-N228 CarbonylContact C-O 3.53Å; S188-N228 WeakPolarHBondContact CB-O 3.48Å; S189-N228 VanDerWaalsContact CB-O 3.27Å; S189-N228 WeakPolarHBondContact CB-O 3.49Å; S189-N228 PolarHBondContact N-O 3.45Å; T202-N228 PolarHBondContact OG1-O 2.86Å; T202-N228 VanDerWaalsContact OG1-O 3.14Å; N228-G242 PolarHBondContact N-O 3.13Å; N228-V269 WeakPolarHBondContact CB-O 3.35Å; N228-V269 PolarHBondContact ND2-O 3.11Å; N228-V269 VanDerWaalsContact ND2-O 3.16Å
229	S	98.4	Very high	97.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	147.9	-177.6	-178.8	0	0	0	0	112.2	S189 I227 A241 G242 H270 V272 R273	S189-S229 WeakPolarHBondContact OG-CA 3.16Å; I227-S229 VanDerWaalsContact CG2-O 3.32Å; I227-S229 WeakPolarHBondContact CG2-O 3.36Å; S229-A241 CarbonylContact O-C 3.5Å; S229-A241 VanDerWaalsContact O-CA 3.31Å; S229-A241 WeakPolarHBondContact O-CA 3.38Å; S229-G242 PolarHBondContact O-N 3.11Å; S229-H270 WeakPolarHBondContact CB-O 3.25Å; S229-V272 PolarHBondContact OG-N 2.93Å; S229-V272 VanDerWaalsContact OG-N 3.13Å; S229-R273 PolarHBondContact OG-NH1 3.44Å; S229-R273 VanDerWaalsContact OG-NH1 3.16Å
230	A	98.7	Very high	97.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.1	169.8	0	0	0	0	0	109.9	V200 T202 I207 V240 A241 R273	V200-A230 HydrophobicContact CG1-CB 4.04Å; T202-A230 HydrophobicContact CG2-CB 3.47Å; T202-A230 VanDerWaalsContact CG2-CB 3.47Å; I207-A230 HydrophobicContact CG1-CB 4.1Å; I207-A230 HydrophobicContact CG2-CB 3.88Å; A230-V240 CarbonylContact C-O 3.5Å; A230-V240 WeakPolarHBondContact CA-O 3.41Å; A230-V240 WeakPolarHBondContact CB-O 3.33Å; A230-A241 HydrophobicContact CB-CB 4.14Å; A230-R273 PolarHBondContact O-NH1 2.61Å
231	S	98.7	Very high	97.9	Very high	1 Å²	1	32 Å²	32	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	132.5	173.7	-173.6	0	0	0	0	110.9	E191 F239 V240 V272 R273 F274	E191-S231 WeakPolarHBondContact OE1-CB 3.47Å; E191-S231 PolarHBondContact OE1-OG 3.26Å; E191-S231 WeakPolarHBondContact OE2-CA 3.44Å; E191-S231 PolarHBondContact OE2-OG 3.07Å; S231-F239 WeakPolarHBondContact O-CA 3.48Å; S231-F239 VanDerWaalsContact O-CB 3.28Å; S231-F239 WeakPolarHBondContact O-CB 3.42Å; S231-V240 PolarHBondContact N-O 3.21Å; S231-V240 PolarHBondContact O-N 3.33Å; S231-V272 WeakPolarHBondContact CB-O 3.39Å; S231-R273 WeakPolarHBondContact OG-CA 3.4Å; S231-F274 VanDerWaalsContact O-CE2 3.3Å; S231-F274 WeakPolarHBondContact O-CE2 3.33Å; S231-F274 PolarHBondContact OG-N 2.9Å
232	L	98.6	Very high	97.9	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	134.7	178.8	-178.9	60.5	0	0	0	109.9	E191 L193 I198 V200 F209 K236 F238 F239 Y253 F274	E191-L232 PolarHBondContact OE2-N 3.36Å; E191-L232 VanDerWaalsContact OE2-N 3.15Å; L193-L232 HydrophobicContact CD1-CB 3.99Å; L193-L232 HydrophobicContact CD2-CB 3.89Å; L193-L232 HydrophobicContact CD2-CD2 4.15Å; L193-L232 HydrophobicContact CD2-CG 4.09Å; I198-L232 HydrophobicContact CB-CD2 4.39Å; I198-L232 HydrophobicContact CD1-CD2 3.76Å; I198-L232 HydrophobicContact CG2-CD2 3.91Å; V200-L232 HydrophobicContact CG2-CB 4.03Å; F209-L232 HydrophobicContact CD1-CD2 4.41Å; F209-L232 HydrophobicContact CE1-CB 4.34Å; F209-L232 HydrophobicContact CE1-CD1 4.19Å; F209-L232 HydrophobicContact CE1-CD2 4.25Å; L232-K236 HydrophobicContact CD2-CB 4.44Å; L232-K236 HydrophobicContact CD2-CG 4.12Å; L232-K236 HydrophobicContact CG-CG 4.48Å; L232-F238 WeakPolarHBondContact CD1-O 3.45Å; L232-F239 HydrophobicContact CB-CB 4.46Å; L232-F239 HydrophobicContact CD1-CB 3.89Å; L232-Y253 HydrophobicContact CD1-CD2 3.56Å; L232-Y253 HydrophobicContact CD1-CE2 4.01Å; L232-Y253 HydrophobicContact CD1-CG 3.97Å; L232-Y253 HydrophobicContact CD2-CE2 4.23Å; L232-F274 VanDerWaalsContact C-CD2 3.47Å; L232-F274 WeakPolarHBondContact O-CD2 3.3Å
233	H	98.4	Very high	97.8	Very high	16 Å²	16	24.5 Å²	24.5	7%	0.074	13%	0.133	C	C	.	.			trans	-63.7	143.7	175.5	-176.5	-104.1	0	0	0	110.2	E235 K236 D237 F238 F274 G278	H233-E235 PolarHBondContact ND1-N 2.87Å; H233-E235 PolarHBondContact O-N 3.17Å; H233-E235 VanDerWaalsContact O-N 3.16Å; H233-K236 WeakPolarHBondContact O-CA 3.29Å; H233-K236 PolarHBondContact O-N 2.82Å; H233-D237 IonicContact CE1-OD1 3.74Å; H233-D237 IonicContact CG-OD1 3.7Å; H233-D237 IonicContact ND1-OD1 2.64Å; H233-D237 PolarHBondContact ND1-OD1 3.4Å; H233-F238 HydrophobicContact CB-CD2 3.83Å; H233-F238 HydrophobicContact CB-CE2 3.58Å; H233-F238 HydrophobicContact CB-CG 4.48Å; H233-F238 HydrophobicContact CB-CZ 4.03Å; H233-F238 WeakPolarHBondContact CB-O 3.16Å; H233-F238 AromaticContact CD2-CE2 3.5Å; H233-F238 VanDerWaalsContact CD2-CE2 3.5Å; H233-F238 WeakPolarHBondContact CD2-CE2 3.17Å; H233-F238 AromaticContact CD2-CZ 3.46Å; H233-F238 VanDerWaalsContact CD2-CZ 3.46Å; H233-F238 WeakPolarHBondContact CD2-CZ 3.28Å; H233-F238 AromaticContact CE1-CZ 3.95Å; H233-F238 AromaticContact CG-CE2 3.52Å; H233-F238 AromaticContact CG-CZ 3.52Å; H233-F238 PolarHBondContact N-O 2.59Å; H233-F238 AromaticContact ND1-CZ 3.8Å; H233-F238 AromaticContact NE2-CZ 3.76Å; H233-F274 HydrophobicContact CB-CD2 4.17Å; H233-F274 HydrophobicContact CB-CE1 4.35Å; H233-F274 HydrophobicContact CB-CE2 3.83Å; H233-F274 HydrophobicContact CB-CZ 3.96Å; H233-F274 AromaticContact CD2-CD1 3.8Å; H233-F274 AromaticContact CD2-CE1 3.71Å; H233-G278 PolarHBondContact CD2-O 3.47Å; H233-G278 VanDerWaalsContact NE2-CA 3.35Å; H233-G278 WeakPolarHBondContact NE2-CA 3.12Å; H233-G278 PolarHBondContact NE2-O 2.84Å; H233-G278 VanDerWaalsContact NE2-O 3.1Å
234	P	96.4	Very high	97.8	Very high	34 Å²	34	27.9 Å²	27.9	22%	0.221	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.7	-176.9	-29.7	36.8	0	0	0	114.6	K236	P234-K236 VanDerWaalsContact C-N 3.26Å; P234-K236 PolarHBondContact O-N 2.88Å; P234-K236 PolarHBondContact O-NZ 2.67Å
235	E	96.3	Very high	97.8	Very high	150 Å²	150	27.2 Å²	27.2	70%	0.701	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-3	177.6	-60.7	-59.4	136.2	0	0	113.9	H233 D237	H233-E235 PolarHBondContact ND1-N 2.87Å; H233-E235 PolarHBondContact O-N 3.17Å; H233-E235 VanDerWaalsContact O-N 3.16Å; E235-D237 PolarHBondContact O-N 3.38Å
236	K	95.9	Very high	97.8	Very high	46 Å²	46	31 Å²	31	20%	0.2	16%	0.159	C	C	.	.	S	Bend	trans	59.1	31.1	174.1	-48.1	169.8	-169.2	69	0	114.1	D195 I198 L232 H233 P234 Y253	D195-K236 VanDerWaalsContact CG-NZ 3.26Å; D195-K236 WeakPolarHBondContact O-CE 3.25Å; D195-K236 PolarHBondContact O-NZ 3.24Å; D195-K236 IonicContact OD1-NZ 3.65Å; D195-K236 IonicContact OD2-NZ 3.67Å; D195-K236 PolarHBondContact OD2-NZ 3.27Å; I198-K236 HydrophobicContact CD1-CD 3.78Å; I198-K236 HydrophobicContact CD1-CG 4.37Å; L232-K236 HydrophobicContact CD2-CB 4.44Å; L232-K236 HydrophobicContact CD2-CG 4.12Å; L232-K236 HydrophobicContact CG-CG 4.48Å; H233-K236 WeakPolarHBondContact O-CA 3.29Å; H233-K236 PolarHBondContact O-N 2.82Å; P234-K236 VanDerWaalsContact C-N 3.26Å; P234-K236 PolarHBondContact O-N 2.88Å; P234-K236 PolarHBondContact O-NZ 2.67Å; K236-Y253 HydrophobicContact CB-CD1 4.47Å; K236-Y253 WeakPolarHBondContact O-CB 3.4Å; K236-Y253 WeakPolarHBondContact O-CD1 3.24Å
237	D	96.3	Very high	97.7	Very high	68 Å²	68	30.8 Å²	30.8	36%	0.364	15%	0.152	S	C	.	.	S	Bend	trans	-93.6	-36.7	177	54.9	-16.4	0	0	0	112.4	H233 E235 Y253	H233-D237 IonicContact CE1-OD1 3.74Å; H233-D237 IonicContact CG-OD1 3.7Å; H233-D237 IonicContact ND1-OD1 2.64Å; H233-D237 PolarHBondContact ND1-OD1 3.4Å; E235-D237 PolarHBondContact O-N 3.38Å; D237-Y253 WeakPolarHBondContact O-CB 3.42Å; D237-Y253 PolarHBondContact O-N 3.38Å
238	F	98	Very high	97.6	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.096	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	170.9	173	52	-96.6	0	0	0	111.8	L232 H233 K250 F251 L259 F274 T295	L232-F238 WeakPolarHBondContact CD1-O 3.45Å; H233-F238 HydrophobicContact CB-CD2 3.83Å; H233-F238 HydrophobicContact CB-CE2 3.58Å; H233-F238 HydrophobicContact CB-CG 4.48Å; H233-F238 HydrophobicContact CB-CZ 4.03Å; H233-F238 WeakPolarHBondContact CB-O 3.16Å; H233-F238 AromaticContact CD2-CE2 3.5Å; H233-F238 VanDerWaalsContact CD2-CE2 3.5Å; H233-F238 WeakPolarHBondContact CD2-CE2 3.17Å; H233-F238 AromaticContact CD2-CZ 3.46Å; H233-F238 VanDerWaalsContact CD2-CZ 3.46Å; H233-F238 WeakPolarHBondContact CD2-CZ 3.28Å; H233-F238 AromaticContact CE1-CZ 3.95Å; H233-F238 AromaticContact CG-CE2 3.52Å; H233-F238 AromaticContact CG-CZ 3.52Å; H233-F238 PolarHBondContact N-O 2.59Å; H233-F238 AromaticContact ND1-CZ 3.8Å; H233-F238 AromaticContact NE2-CZ 3.76Å; F238-K250 HydrophobicContact CD2-CD 4.42Å; F238-K250 HydrophobicContact CD2-CG 4.36Å; F238-K250 VanDerWaalsContact CG-CE 3.49Å; F238-F251 CarbonylContact C-O 3.58Å; F238-F251 WeakPolarHBondContact CA-O 3.33Å; F238-F251 WeakPolarHBondContact CB-O 3.37Å; F238-L259 HydrophobicContact CB-CD1 4.26Å; F238-F274 AromaticContact CD2-CZ 3.81Å; F238-F274 HydrophobicContact CD2-CZ 3.81Å; F238-F274 AromaticContact CE2-CE1 3.82Å; F238-F274 HydrophobicContact CE2-CE1 3.82Å; F238-F274 HydrophobicContact CE2-CE2 4.47Å; F238-F274 AromaticContact CE2-CZ 3.51Å; F238-F274 HydrophobicContact CE2-CZ 3.51Å; F238-T295 HydrophobicContact CE1-CG2 4.28Å; F238-T295 HydrophobicContact CE2-CG2 3.67Å; F238-T295 HydrophobicContact CZ-CG2 3.23Å
239	F	98.6	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.9	173.4	64.9	-85	0	0	0	110.5	I207 F209 V221 S231 L232 K250 F251 Y253	I207-F239 HydrophobicContact CB-CE2 4.2Å; I207-F239 HydrophobicContact CD1-CE2 4.08Å; I207-F239 HydrophobicContact CG1-CE2 4.16Å; I207-F239 HydrophobicContact CG2-CD2 4.4Å; I207-F239 HydrophobicContact CG2-CE2 4.04Å; F209-F239 HydrophobicContact CE2-CD1 4.32Å; F209-F239 HydrophobicContact CE2-CE1 4.02Å; F209-F239 HydrophobicContact CE2-CE2 4.46Å; F209-F239 HydrophobicContact CE2-CZ 4.09Å; F209-F239 HydrophobicContact CZ-CB 4.35Å; F209-F239 AromaticContact CZ-CD1 3.69Å; F209-F239 HydrophobicContact CZ-CD1 3.69Å; F209-F239 AromaticContact CZ-CD2 4Å; F209-F239 HydrophobicContact CZ-CD2 4Å; F209-F239 AromaticContact CZ-CE1 3.86Å; F209-F239 HydrophobicContact CZ-CE1 3.86Å; F209-F239 HydrophobicContact CZ-CE2 4.15Å; F209-F239 AromaticContact CZ-CG 3.76Å; F209-F239 HydrophobicContact CZ-CG 3.76Å; F209-F239 HydrophobicContact CZ-CZ 4.08Å; V221-F239 HydrophobicContact CB-CZ 3.92Å; V221-F239 HydrophobicContact CG1-CZ 4.07Å; V221-F239 HydrophobicContact CG2-CE1 4.08Å; V221-F239 HydrophobicContact CG2-CZ 3.69Å; S231-F239 WeakPolarHBondContact O-CA 3.48Å; S231-F239 VanDerWaalsContact O-CB 3.28Å; S231-F239 WeakPolarHBondContact O-CB 3.42Å; L232-F239 HydrophobicContact CB-CB 4.46Å; L232-F239 HydrophobicContact CD1-CB 3.89Å; F239-K250 WeakPolarHBondContact O-CA 3.3Å; F239-F251 HydrophobicContact CD1-CB 4.01Å; F239-F251 HydrophobicContact CD2-CB 4.36Å; F239-F251 HydrophobicContact CD2-CD2 4.19Å; F239-F251 HydrophobicContact CE1-CB 3.43Å; F239-F251 VanDerWaalsContact CE1-CB 3.43Å; F239-F251 HydrophobicContact CE1-CG 4.31Å; F239-F251 HydrophobicContact CE2-CB 3.82Å; F239-F251 AromaticContact CE2-CD2 3.49Å; F239-F251 HydrophobicContact CE2-CD2 3.49Å; F239-F251 VanDerWaalsContact CE2-CD2 3.49Å; F239-F251 HydrophobicContact CE2-CE2 4.33Å; F239-F251 AromaticContact CE2-CG 3.94Å; F239-F251 HydrophobicContact CE2-CG 3.94Å; F239-F251 HydrophobicContact CG-CB 4.44Å; F239-F251 HydrophobicContact CZ-CB 3.32Å; F239-F251 AromaticContact CZ-CD2 3.76Å; F239-F251 HydrophobicContact CZ-CD2 3.76Å; F239-F251 AromaticContact CZ-CG 3.7Å; F239-F251 HydrophobicContact CZ-CG 3.7Å; F239-F251 PolarHBondContact N-O 2.92Å; F239-F251 PolarHBondContact O-N 2.96Å; F239-Y253 HydrophobicContact CD1-CD2 4.15Å
240	V	98.6	Very high	97.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.4	176.2	-65.7	0	0	0	0	110.9	A230 S231 Y249 K250 V272 F274 Y281	A230-V240 CarbonylContact C-O 3.5Å; A230-V240 WeakPolarHBondContact CA-O 3.41Å; A230-V240 WeakPolarHBondContact CB-O 3.33Å; S231-V240 PolarHBondContact N-O 3.21Å; S231-V240 PolarHBondContact O-N 3.33Å; V240-Y249 CarbonylContact C-O 3.55Å; V240-Y249 WeakPolarHBondContact CA-O 3.19Å; V240-K250 HydrophobicContact CG1-CB 4.31Å; V240-K250 HydrophobicContact CG1-CG 4.23Å; V240-V272 HydrophobicContact CB-CG2 4.37Å; V240-V272 HydrophobicContact CG2-CG1 4.21Å; V240-V272 HydrophobicContact CG2-CG2 3.49Å; V240-V272 VanDerWaalsContact CG2-CG2 3.49Å; V240-F274 HydrophobicContact CB-CE2 4.28Å; V240-F274 HydrophobicContact CB-CZ 4.34Å; V240-F274 HydrophobicContact CG1-CE2 4.08Å; V240-F274 HydrophobicContact CG1-CZ 3.67Å; V240-F274 HydrophobicContact CG2-CD2 4.13Å; V240-F274 HydrophobicContact CG2-CE2 3.58Å; V240-F274 HydrophobicContact CG2-CZ 3.91Å; V240-Y281 HydrophobicContact CB-CD2 4.41Å; V240-Y281 HydrophobicContact CB-CE2 4.42Å; V240-Y281 HydrophobicContact CG1-CD1 4.2Å; V240-Y281 HydrophobicContact CG1-CD2 4.31Å; V240-Y281 HydrophobicContact CG1-CE1 4.03Å; V240-Y281 HydrophobicContact CG1-CE2 4.11Å; V240-Y281 HydrophobicContact CG1-CG 4.35Å; V240-Y281 HydrophobicContact CG2-CD2 4Å; V240-Y281 HydrophobicContact CG2-CE2 4.49Å; V240-Y281 HydrophobicContact CG2-CG 4.11Å
241	A	98.7	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133.2	179.5	0	0	0	0	0	111.6	I207 I227 S229 A230 L248 Y249 F251	I207-A241 HydrophobicContact CD1-CB 4.26Å; I207-A241 HydrophobicContact CG1-CB 4.38Å; I227-A241 HydrophobicContact CD1-CB 4.06Å; I227-A241 HydrophobicContact CG1-CB 4.45Å; I227-A241 HydrophobicContact CG2-CB 3.91Å; S229-A241 CarbonylContact O-C 3.5Å; S229-A241 VanDerWaalsContact O-CA 3.31Å; S229-A241 WeakPolarHBondContact O-CA 3.38Å; A230-A241 HydrophobicContact CB-CB 4.14Å; A241-L248 CarbonylContact O-C 3.47Å; A241-L248 WeakPolarHBondContact O-CA 3.28Å; A241-Y249 PolarHBondContact N-O 2.89Å; A241-Y249 PolarHBondContact O-N 3.47Å; A241-F251 HydrophobicContact CB-CE2 4.37Å
242	G	98.4	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.7	173.5	0	0	0	0	0	111.3	N228 S229	N228-G242 PolarHBondContact N-O 3.13Å; S229-G242 PolarHBondContact O-N 3.11Å
243	G	97.8	Very high	97.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	156.2	-178.9	0	0	0	0	0	114	P226 D245 F246 K247 V269	P226-G243 WeakPolarHBondContact O-CA 3.14Å; G243-D245 PolarHBondContact O-N 2.94Å; G243-F246 PolarHBondContact O-N 3.09Å; G243-K247 PolarHBondContact N-O 2.83Å; G243-V269 PolarHBondContact O-N 3.27Å
244	D	97.1	Very high	97.5	Very high	75 Å²	75	36.7 Å²	36.7	40%	0.401	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.6	169.1	-164.5	52.7	0	0	0	112.3	P226 F246 P268	P226-D244 HydrophobicContact CB-CB 4.22Å; P226-D244 PolarHBondContact O-N 3.02Å; D244-F246 WeakPolarHBondContact O-CD1 3.5Å; D244-F246 VanDerWaalsContact O-CE1 3.25Å; D244-F246 WeakPolarHBondContact O-CE1 3.37Å; D244-F246 PolarHBondContact O-N 2.9Å; D244-P268 WeakPolarHBondContact OD1-CB 3.45Å; D244-P268 WeakPolarHBondContact OD1-CG 3.27Å
245	D	97.4	Very high	97.5	Very high	56 Å²	56	38.7 Å²	38.7	30%	0.299	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	16.2	175.5	72.7	-30.7	0	0	0	113.9	A225 G243 K247 Y249	A225-D245 HydrophobicContact CB-CB 3.87Å; A225-D245 VanDerWaalsContact CB-CG 3.49Å; G243-D245 PolarHBondContact O-N 2.94Å; D245-K247 PolarHBondContact O-N 2.9Å; D245-Y249 PolarHBondContact OD2-OH 2.75Å
246	F	96.1	Very high	97.6	Very high	91 Å²	91	35.8 Å²	35.8	40%	0.399	18%	0.184	S	C	.	.	S	Bend	trans	73.1	6.5	172.7	-38.1	-16.5	0	0	0	113.7	G243 D244 G267 P268	G243-F246 PolarHBondContact O-N 3.09Å; D244-F246 WeakPolarHBondContact O-CD1 3.5Å; D244-F246 VanDerWaalsContact O-CE1 3.25Å; D244-F246 WeakPolarHBondContact O-CE1 3.37Å; D244-F246 PolarHBondContact O-N 2.9Å; F246-G267 WeakPolarHBondContact CB-O 3.29Å; F246-G267 WeakPolarHBondContact CD1-O 3.45Å; F246-G267 VanDerWaalsContact CG-C 3.5Å; F246-P268 HydrophobicContact CD1-CG 4.12Å; F246-P268 HydrophobicContact CE1-CG 3.81Å
247	K	96.6	Very high	97.6	Very high	52 Å²	52	39.7 Å²	39.7	23%	0.226	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	152.4	178	-71.3	-174.9	179.8	-179.9	0	111.8	G243 D245 Y249 Y262 K263	G243-K247 PolarHBondContact N-O 2.83Å; D245-K247 PolarHBondContact O-N 2.9Å; K247-Y249 HydrophobicContact CB-CD2 4.36Å; K247-Y249 HydrophobicContact CB-CE2 3.77Å; K247-Y249 HydrophobicContact CD-CE1 4.21Å; K247-Y262 VanDerWaalsContact CA-O 3.29Å; K247-Y262 WeakPolarHBondContact CA-O 3.36Å; K247-K263 VanDerWaalsContact CE-CE 3.48Å; K247-K263 HydrophobicContact CG-CG 3.91Å
248	L	97.6	Very high	97.7	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.7	156.9	-79.6	151.7	0	0	0	108.6	A241 S261 Y262 V269 V272 Y281 W293	A241-L248 CarbonylContact O-C 3.47Å; A241-L248 WeakPolarHBondContact O-CA 3.28Å; L248-S261 CarbonylContact O-C 3.5Å; L248-S261 VanDerWaalsContact O-CA 3.24Å; L248-S261 WeakPolarHBondContact O-CA 3.11Å; L248-Y262 HydrophobicContact CB-CD2 4.29Å; L248-Y262 PolarHBondContact N-O 2.84Å; L248-Y262 PolarHBondContact O-N 3.37Å; L248-V269 HydrophobicContact CD2-CG1 4.22Å; L248-V272 HydrophobicContact CD2-CB 4.21Å; L248-V272 HydrophobicContact CD2-CG2 3.76Å; L248-Y281 HydrophobicContact CD1-CE2 4.23Å; L248-Y281 HydrophobicContact CD2-CE2 4.31Å; L248-W293 HydrophobicContact CD1-CD2 3.77Å; L248-W293 HydrophobicContact CD1-CE3 4.33Å; L248-W293 HydrophobicContact CD1-CG 4.34Å; L248-W293 HydrophobicContact CD1-CH2 3.81Å; L248-W293 HydrophobicContact CD1-CZ2 3.2Å; L248-W293 HydrophobicContact CD1-CZ3 4.35Å; L248-W293 VanDerWaalsContact CD1-NE1 3.35Å
249	Y	98.1	Very high	97.6	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.2	175.1	-62.3	-87.7	0	0	0	109	P224 I227 V240 A241 D245 K247 F251	P224-Y249 HydrophobicContact CB-CE1 4.32Å; P224-Y249 HydrophobicContact CG-CD1 4.44Å; P224-Y249 HydrophobicContact CG-CE1 3.74Å; I227-Y249 HydrophobicContact CD1-CD2 4.12Å; I227-Y249 HydrophobicContact CD1-CE2 4.32Å; V240-Y249 CarbonylContact C-O 3.55Å; V240-Y249 WeakPolarHBondContact CA-O 3.19Å; A241-Y249 PolarHBondContact N-O 2.89Å; A241-Y249 PolarHBondContact O-N 3.47Å; D245-Y249 PolarHBondContact OD2-OH 2.75Å; K247-Y249 HydrophobicContact CB-CD2 4.36Å; K247-Y249 HydrophobicContact CB-CE2 3.77Å; K247-Y249 HydrophobicContact CD-CE1 4.21Å; Y249-F251 HydrophobicContact CD1-CZ 4.24Å; Y249-F251 HydrophobicContact CG-CE2 4.06Å; Y249-F251 HydrophobicContact CG-CZ 4.17Å
250	K	97.8	Very high	97.3	Very high	21 Å²	21	46.9 Å²	46.9	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.8	168.8	-172.1	179.5	-177	178.6	0	107.8	F238 F239 V240 L259 E260 T295	F238-K250 HydrophobicContact CD2-CD 4.42Å; F238-K250 HydrophobicContact CD2-CG 4.36Å; F238-K250 VanDerWaalsContact CG-CE 3.49Å; F239-K250 WeakPolarHBondContact O-CA 3.3Å; V240-K250 HydrophobicContact CG1-CB 4.31Å; V240-K250 HydrophobicContact CG1-CG 4.23Å; K250-L259 HydrophobicContact CG-CD1 4.4Å; K250-L259 PolarHBondContact O-N 2.9Å; K250-E260 HydrophobicContact CB-CB 4.25Å; K250-E260 WeakPolarHBondContact CD-OE2 3.36Å; K250-E260 PolarHBondContact N-O 3.19Å; K250-E260 PolarHBondContact O-N 3.08Å; K250-T295 PolarHBondContact NZ-O 2.79Å
251	F	98.5	Very high	97.1	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.022	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.1	-178.6	-64.9	-86.5	0	0	0	110.2	I207 V221 A223 F238 F239 A241 Y249 Y253 E257 E258	I207-F251 HydrophobicContact CD1-CE2 4.41Å; V221-F251 HydrophobicContact CG1-CD1 4.13Å; V221-F251 HydrophobicContact CG1-CE1 4.3Å; V221-F251 HydrophobicContact CG1-CG 4.49Å; A223-F251 HydrophobicContact CB-CZ 4.19Å; F238-F251 CarbonylContact C-O 3.58Å; F238-F251 WeakPolarHBondContact CA-O 3.33Å; F238-F251 WeakPolarHBondContact CB-O 3.37Å; F239-F251 HydrophobicContact CD1-CB 4.01Å; F239-F251 HydrophobicContact CD2-CB 4.36Å; F239-F251 HydrophobicContact CD2-CD2 4.19Å; F239-F251 HydrophobicContact CE1-CB 3.43Å; F239-F251 VanDerWaalsContact CE1-CB 3.43Å; F239-F251 HydrophobicContact CE1-CG 4.31Å; F239-F251 HydrophobicContact CE2-CB 3.82Å; F239-F251 AromaticContact CE2-CD2 3.49Å; F239-F251 HydrophobicContact CE2-CD2 3.49Å; F239-F251 VanDerWaalsContact CE2-CD2 3.49Å; F239-F251 HydrophobicContact CE2-CE2 4.33Å; F239-F251 AromaticContact CE2-CG 3.94Å; F239-F251 HydrophobicContact CE2-CG 3.94Å; F239-F251 HydrophobicContact CG-CB 4.44Å; F239-F251 HydrophobicContact CZ-CB 3.32Å; F239-F251 AromaticContact CZ-CD2 3.76Å; F239-F251 HydrophobicContact CZ-CD2 3.76Å; F239-F251 AromaticContact CZ-CG 3.7Å; F239-F251 HydrophobicContact CZ-CG 3.7Å; F239-F251 PolarHBondContact N-O 2.92Å; F239-F251 PolarHBondContact O-N 2.96Å; A241-F251 HydrophobicContact CB-CE2 4.37Å; Y249-F251 HydrophobicContact CD1-CZ 4.24Å; Y249-F251 HydrophobicContact CG-CE2 4.06Å; Y249-F251 HydrophobicContact CG-CZ 4.17Å; F251-Y253 PolarHBondContact O-N 3.26Å; F251-E257 CarbonylContact C-O 3.59Å; F251-E257 VanDerWaalsContact CA-O 3.27Å; F251-E257 WeakPolarHBondContact CA-O 3.37Å; F251-E258 HydrophobicContact CD1-CB 3.94Å; F251-E258 HydrophobicContact CD1-CG 4.49Å; F251-E258 HydrophobicContact CE1-CB 3.72Å; F251-E258 HydrophobicContact CE1-CG 4.13Å
252	D	98.3	Very high	96.8	Very high	40 Å²	40	50.5 Å²	50.5	21%	0.214	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.2	166.7	-173.8	-73.1	0	0	0	109.2	S254 T255 K256 E257 L259	D252-S254 VanDerWaalsContact C-N 3.33Å; D252-S254 PolarHBondContact O-N 3.26Å; D252-S254 WeakPolarHBondContact OD1-CA 3.4Å; D252-S254 WeakPolarHBondContact OD1-CB 3.39Å; D252-S254 PolarHBondContact OD1-N 2.98Å; D252-T255 VanDerWaalsContact CB-OG1 3.3Å; D252-T255 WeakPolarHBondContact CB-OG1 3.16Å; D252-T255 PolarHBondContact OD1-N 2.86Å; D252-T255 PolarHBondContact OD1-OG1 2.85Å; D252-K256 WeakPolarHBondContact O-CA 3.34Å; D252-K256 PolarHBondContact O-N 3.46Å; D252-E257 PolarHBondContact N-O 3.31Å; D252-L259 HydrophobicContact CB-CD1 4.11Å; D252-L259 HydrophobicContact CB-CD2 4.1Å; D252-L259 HydrophobicContact CB-CG 4.1Å
253	Y	97.6	Very high	96.4	Very high	21 Å²	21	58.6 Å²	58.6	8%	0.082	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-31.3	-176.5	178.2	-108.8	0	0	0	112.4	F209 K219 L232 K236 D237 F239 F251	F209-Y253 HydrophobicContact CD1-CD2 4.41Å; F209-Y253 AromaticContact CD1-CE2 3.6Å; F209-Y253 HydrophobicContact CD1-CE2 3.6Å; F209-Y253 HydrophobicContact CD2-CE2 4.1Å; F209-Y253 HydrophobicContact CE1-CD2 4.03Å; F209-Y253 AromaticContact CE1-CE2 3.67Å; F209-Y253 HydrophobicContact CE1-CE2 3.67Å; F209-Y253 HydrophobicContact CE2-CD2 4.34Å; F209-Y253 HydrophobicContact CE2-CE2 4.16Å; F209-Y253 AromaticContact CG-CE2 3.81Å; F209-Y253 HydrophobicContact CG-CE2 3.81Å; F209-Y253 AromaticContact CZ-CD2 3.99Å; F209-Y253 HydrophobicContact CZ-CD2 3.99Å; F209-Y253 AromaticContact CZ-CE2 3.95Å; F209-Y253 HydrophobicContact CZ-CE2 3.95Å; K219-Y253 HydrophobicContact CD-CD2 4.41Å; K219-Y253 HydrophobicContact CD-CE2 3.98Å; K219-Y253 WeakPolarHBondContact CD-O 3.31Å; K219-Y253 PolarHBondContact NZ-O 3.36Å; L232-Y253 HydrophobicContact CD1-CD2 3.56Å; L232-Y253 HydrophobicContact CD1-CE2 4.01Å; L232-Y253 HydrophobicContact CD1-CG 3.97Å; L232-Y253 HydrophobicContact CD2-CE2 4.23Å; K236-Y253 HydrophobicContact CB-CD1 4.47Å; K236-Y253 WeakPolarHBondContact O-CB 3.4Å; K236-Y253 WeakPolarHBondContact O-CD1 3.24Å; D237-Y253 WeakPolarHBondContact O-CB 3.42Å; D237-Y253 PolarHBondContact O-N 3.38Å; F239-Y253 HydrophobicContact CD1-CD2 4.15Å; F251-Y253 PolarHBondContact O-N 3.26Å
254	S	96.8	Very high	95.8	Very high	86 Å²	86	59.2 Å²	59.2	60%	0.601	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-52.9	-175.5	-66.4	0	0	0	0	111.7	D252	D252-S254 VanDerWaalsContact C-N 3.33Å; D252-S254 PolarHBondContact O-N 3.26Å; D252-S254 WeakPolarHBondContact OD1-CA 3.4Å; D252-S254 WeakPolarHBondContact OD1-CB 3.39Å; D252-S254 PolarHBondContact OD1-N 2.98Å
255	T	97.5	Very high	95.8	Very high	75 Å²	75	56.2 Å²	56.2	46%	0.46	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-21	-176.9	73.3	0	0	0	0	112.7	D252 E257	D252-T255 VanDerWaalsContact CB-OG1 3.3Å; D252-T255 WeakPolarHBondContact CB-OG1 3.16Å; D252-T255 PolarHBondContact OD1-N 2.86Å; D252-T255 PolarHBondContact OD1-OG1 2.85Å; T255-E257 PolarHBondContact O-N 2.94Å; T255-E257 WeakPolarHBondContact OG1-CB 3.48Å; T255-E257 WeakPolarHBondContact OG1-CG 3.14Å; T255-E257 PolarHBondContact OG1-N 2.82Å; T255-E257 PolarHBondContact OG1-OE2 3.01Å
256	K	97.6	Very high	95.7	Very high	89 Å²	89	61.6 Å²	61.6	39%	0.387	31%	0.305	S	S	.	.			trans	68.1	11.4	-175.7	-46.3	172	179.4	-170	0	113.9	T220 V221 D252	T220-K256 WeakPolarHBondContact O-CD 3.46Å; T220-K256 PolarHBondContact O-NZ 3.46Å; T220-K256 VanDerWaalsContact O-NZ 3.12Å; V221-K256 HydrophobicContact CG1-CB 4.32Å; V221-K256 HydrophobicContact CG2-CB 3.79Å; V221-K256 HydrophobicContact CG2-CD 4.13Å; V221-K256 HydrophobicContact CG2-CG 3.78Å; D252-K256 WeakPolarHBondContact O-CA 3.34Å; D252-K256 PolarHBondContact O-N 3.46Å
257	E	97.4	Very high	95.7	Very high	128 Å²	128	57.5 Å²	57.5	60%	0.598	29%	0.288	S	S	*	.			trans	-75.5	142.2	179.2	-66.4	177.3	153.8	0	0	110.6	F251 D252 T255 L259	F251-E257 CarbonylContact C-O 3.59Å; F251-E257 VanDerWaalsContact CA-O 3.27Å; F251-E257 WeakPolarHBondContact CA-O 3.37Å; D252-E257 PolarHBondContact N-O 3.31Å; T255-E257 PolarHBondContact O-N 2.94Å; T255-E257 WeakPolarHBondContact OG1-CB 3.48Å; T255-E257 WeakPolarHBondContact OG1-CG 3.14Å; T255-E257 PolarHBondContact OG1-N 2.82Å; T255-E257 PolarHBondContact OG1-OE2 3.01Å; E257-L259 PolarHBondContact O-N 3.39Å
258	E	97.4	Very high	95.8	Very high	82 Å²	82	56.1 Å²	56.1	38%	0.383	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	115	168.7	-174.6	179.4	142.7	0	0	108.1	F251 S261	F251-E258 HydrophobicContact CD1-CB 3.94Å; F251-E258 HydrophobicContact CD1-CG 4.49Å; F251-E258 HydrophobicContact CE1-CB 3.72Å; F251-E258 HydrophobicContact CE1-CG 4.13Å; E258-S261 WeakPolarHBondContact OE1-CB 3.26Å; E258-S261 PolarHBondContact OE1-OG 2.93Å
259	L	95.4	Very high	95.9	Very high	84 Å²	84	56 Å²	56	44%	0.44	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-49.3	175.6	-63.5	176.4	0	0	0	109.9	F238 K250 D252 E257	F238-L259 HydrophobicContact CB-CD1 4.26Å; K250-L259 HydrophobicContact CG-CD1 4.4Å; K250-L259 PolarHBondContact O-N 2.9Å; D252-L259 HydrophobicContact CB-CD1 4.11Å; D252-L259 HydrophobicContact CB-CD2 4.1Å; D252-L259 HydrophobicContact CB-CG 4.1Å; E257-L259 PolarHBondContact O-N 3.39Å
260	E	93.9	Very high	95.9	Very high	75 Å²	75	58.2 Å²	58.2	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	151	-172.9	-60.4	175	132.9	0	0	110.8	K250 Y262	K250-E260 HydrophobicContact CB-CB 4.25Å; K250-E260 WeakPolarHBondContact CD-OE2 3.36Å; K250-E260 PolarHBondContact N-O 3.19Å; K250-E260 PolarHBondContact O-N 3.08Å; E260-Y262 HydrophobicContact CB-CE1 4.12Å; E260-Y262 HydrophobicContact CB-CE2 4.13Å; E260-Y262 VanDerWaalsContact OE2-CZ 3.29Å; E260-Y262 PolarHBondContact OE2-OH 3.12Å
261	S	93.6	Very high	95.9	Very high	50 Å²	50	57.4 Å²	57.4	35%	0.35	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.7	164.7	53.9	0	0	0	0	112.3	L248 E258	L248-S261 CarbonylContact O-C 3.5Å; L248-S261 VanDerWaalsContact O-CA 3.24Å; L248-S261 WeakPolarHBondContact O-CA 3.11Å; E258-S261 WeakPolarHBondContact OE1-CB 3.26Å; E258-S261 PolarHBondContact OE1-OG 2.93Å
262	Y	91.6	Very high	95.9	Very high	26 Å²	26	57.1 Å²	57.1	10%	0.102	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.8	-170.2	-50.3	-69.8	0	0	0	110.9	Q5 K247 L248 E260 Y281 W293	Q5-Y262 HydrophobicContact CB-CD1 3.73Å; Q5-Y262 HydrophobicContact CB-CE1 3.38Å; Q5-Y262 HydrophobicContact CG-CD1 3.82Å; Q5-Y262 HydrophobicContact CG-CE1 3.59Å; Q5-Y262 HydrophobicContact CG-CE2 4.49Å; Q5-Y262 HydrophobicContact CG-CG 4.32Å; Q5-Y262 PolarHBondContact NE2-OH 3.17Å; Q5-Y262 VanDerWaalsContact NE2-OH 3.08Å; K247-Y262 VanDerWaalsContact CA-O 3.29Å; K247-Y262 WeakPolarHBondContact CA-O 3.36Å; L248-Y262 HydrophobicContact CB-CD2 4.29Å; L248-Y262 PolarHBondContact N-O 2.84Å; L248-Y262 PolarHBondContact O-N 3.37Å; E260-Y262 HydrophobicContact CB-CE1 4.12Å; E260-Y262 HydrophobicContact CB-CE2 4.13Å; E260-Y262 VanDerWaalsContact OE2-CZ 3.29Å; E260-Y262 PolarHBondContact OE2-OH 3.12Å; Y262-Y281 WeakPolarHBondContact CE2-OH 3.46Å; Y262-W293 HydrophobicContact CG-CZ3 4.29Å
263	K	91	Very high	95.9	Very high	171 Å²	171	56.3 Å²	56.3	74%	0.743	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.3	165	-70.6	-173.7	176.6	-171.5	0	108.8	K247	K247-K263 VanDerWaalsContact CE-CE 3.48Å; K247-K263 HydrophobicContact CG-CG 3.91Å
264	G	85.6	Confident	96	Very high	13 Å²	13	56 Å²	56	13%	0.134	28%	0.283	C	S	.	.			trans	-146.3	-47.6	171.9	0	0	0	0	0	112	R291	G264-R291 VanDerWaalsContact C-CZ 3.4Å; G264-R291 PolarHBondContact O-NH1 2.88Å; G264-R291 PolarHBondContact O-NH2 2.95Å
265	H	95.6	Very high	96.1	Very high	11 Å²	11	52 Å²	52	5%	0.051	25%	0.254	C	S	.	.			trans	-71.3	155.3	178.9	-74.6	-68.1	0	0	0	113	V269 S283 S285 D287 T289	H265-V269 HydrophobicContact CB-CG2 4.21Å; H265-S283 PolarHBondContact NE2-OG 2.74Å; H265-S285 VanDerWaalsContact CG-CB 3.46Å; H265-S285 WeakPolarHBondContact ND1-CB 3.37Å; H265-D287 VanDerWaalsContact CA-OD2 3.29Å; H265-D287 WeakPolarHBondContact CA-OD2 3.5Å; H265-D287 WeakPolarHBondContact CB-OD2 3.18Å; H265-D287 IonicContact CG-OD2 3.93Å; H265-D287 IonicContact ND1-OD1 3.86Å; H265-D287 PolarHBondContact ND1-OD1 2.86Å; H265-D287 IonicContact ND1-OD2 2.84Å; H265-D287 PolarHBondContact ND1-OD2 3.27Å; H265-T289 PolarHBondContact CE1-OG1 2.98Å; H265-T289 VanDerWaalsContact CE1-OG1 3.28Å; H265-T289 PolarHBondContact ND1-OG1 2.78Å; H265-T289 VanDerWaalsContact ND1-OG1 3.16Å
266	F	95.6	Very high	96.1	Very high	170 Å²	170	50.6 Å²	50.6	75%	0.746	25%	0.247	S	C	*	.	S	Bend	trans	-104.6	19	176.9	-62.6	-79	0	0	0	112.7	D287	F266-D287 HydrophobicContact CB-CB 4.11Å; F266-D287 PolarHBondContact N-OD2 3.27Å
267	G	97.3	Very high	96.1	Very high	5 Å²	5	48.8 Å²	48.8	5%	0.052	24%	0.242	C	C	.	.	S	Bend	trans	-165.9	176.9	176.5	0	0	0	0	0	111.2	F246 V269 S285	F246-G267 WeakPolarHBondContact CB-O 3.29Å; F246-G267 WeakPolarHBondContact CD1-O 3.45Å; F246-G267 VanDerWaalsContact CG-C 3.5Å; G267-V269 PolarHBondContact O-N 3Å; G267-S285 PolarHBondContact O-OG 3.43Å
268	P	98.2	Very high	96.1	Very high	23 Å²	23	42.8 Å²	42.8	15%	0.149	21%	0.214	C	C	.	.			trans	-49.9	137.7	179.4	-32.2	38.2	0	0	0	112.4	D244 F246 S285 E286	D244-P268 WeakPolarHBondContact OD1-CB 3.45Å; D244-P268 WeakPolarHBondContact OD1-CG 3.27Å; F246-P268 HydrophobicContact CD1-CG 4.12Å; F246-P268 HydrophobicContact CE1-CG 3.81Å; P268-S285 CarbonylContact O-C 3.41Å; P268-S285 WeakPolarHBondContact O-CA 3.48Å; P268-S285 WeakPolarHBondContact O-CB 3.22Å; P268-S285 PolarHBondContact O-OG 3.04Å; P268-E286 HydrophobicContact CB-CB 4.4Å; P268-E286 HydrophobicContact CG-CB 4.39Å; P268-E286 PolarHBondContact O-N 2.96Å
269	V	98.6	Very high	96.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	108.3	174.4	-175.8	0	0	0	0	107	N228 G243 L248 H265 G267 G284	N228-V269 WeakPolarHBondContact CB-O 3.35Å; N228-V269 PolarHBondContact ND2-O 3.11Å; N228-V269 VanDerWaalsContact ND2-O 3.16Å; G243-V269 PolarHBondContact O-N 3.27Å; L248-V269 HydrophobicContact CD2-CG1 4.22Å; H265-V269 HydrophobicContact CB-CG2 4.21Å; G267-V269 PolarHBondContact O-N 3Å; V269-G284 CarbonylContact C-O 3.54Å
270	H	98.4	Very high	96.2	Very high	48 Å²	48	37.3 Å²	37.3	22%	0.222	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-32.6	-173	-73.6	-52.4	0	0	0	113.5	S229 G284 E286	S229-H270 WeakPolarHBondContact CB-O 3.25Å; H270-G284 PolarHBondContact N-O 2.84Å; H270-E286 PolarHBondContact CD2-N 2.77Å; H270-E286 IonicContact CD2-OE2 2.74Å; H270-E286 IonicContact CE1-OE2 2.74Å; H270-E286 IonicContact NE2-OE2 3.93Å; H270-E286 PolarHBondContact NE2-OE2 3.1Å
271	C	98.4	Very high	96.4	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.7	-173.7	48.6	0	0	0	0	110.3	L20 S283 G284	L20-C271 HydrophobicContact CD1-CB 4.44Å; L20-C271 HydrophobicContact CG-CB 4.34Å; C271-S283 CarbonylContact O-C 3.59Å; C271-S283 VanDerWaalsContact O-CA 3.27Å; C271-S283 WeakPolarHBondContact O-CA 3.27Å; C271-G284 PolarHBondContact N-O 2.92Å; C271-G284 PolarHBondContact O-N 3.24Å; C271-G284 VanDerWaalsContact SG-CA 3.58Å
272	V	98.7	Very high	96.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	138	171.8	67.7	0	0	0	0	109.8	S229 S231 V240 L248 Y281 A282	S229-V272 PolarHBondContact OG-N 2.93Å; S229-V272 VanDerWaalsContact OG-N 3.13Å; S231-V272 WeakPolarHBondContact CB-O 3.39Å; V240-V272 HydrophobicContact CB-CG2 4.37Å; V240-V272 HydrophobicContact CG2-CG1 4.21Å; V240-V272 HydrophobicContact CG2-CG2 3.49Å; V240-V272 VanDerWaalsContact CG2-CG2 3.49Å; L248-V272 HydrophobicContact CD2-CB 4.21Å; L248-V272 HydrophobicContact CD2-CG2 3.76Å; V272-Y281 HydrophobicContact CG2-CD2 3.83Å; V272-A282 CarbonylContact C-O 3.51Å; V272-A282 WeakPolarHBondContact CA-O 3.42Å; V272-A282 WeakPolarHBondContact CG2-O 3.38Å
273	R	98.6	Very high	97	Very high	22 Å²	22	30.1 Å²	30.1	8%	0.083	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	137.3	178.9	-66.4	-64.2	174.4	-118.6	19.6	111	L20 F22 M190 E191 S229 A230 S231 Y281 A282	L20-R273 HydrophobicContact CB-CG 4.14Å; F22-R273 HydrophobicContact CD2-CB 4.05Å; F22-R273 HydrophobicContact CE2-CB 4.08Å; F22-R273 WeakPolarHBondContact CE2-O 3.08Å; M190-R273 PolarHBondContact O-NH2 2.92Å; M190-R273 VanDerWaalsContact O-NH2 3.16Å; E191-R273 WeakPolarHBondContact OE1-CD 3.28Å; E191-R273 IonicContact OE1-CZ 3.31Å; E191-R273 IonicContact OE1-NE 3.85Å; E191-R273 IonicContact OE1-NH1 2.74Å; S229-R273 PolarHBondContact OG-NH1 3.44Å; S229-R273 VanDerWaalsContact OG-NH1 3.16Å; A230-R273 PolarHBondContact O-NH1 2.61Å; S231-R273 WeakPolarHBondContact OG-CA 3.4Å; R273-Y281 CarbonylContact O-C 3.57Å; R273-Y281 WeakPolarHBondContact O-CA 3.32Å; R273-Y281 VanDerWaalsContact O-CB 3.25Å; R273-Y281 WeakPolarHBondContact O-CB 3.27Å; R273-A282 PolarHBondContact N-O 3.09Å; R273-A282 PolarHBondContact O-N 2.83Å
274	F	98.6	Very high	97.3	Very high	15 Å²	15	22 Å²	22	7%	0.066	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	147.1	166	-84.6	-74.1	0	0	0	111.5	F22 S231 L232 H233 F238 V240 L280 Y281	F22-F274 WeakPolarHBondContact CD2-O 3.34Å; F22-F274 WeakPolarHBondContact CE2-O 3.39Å; S231-F274 VanDerWaalsContact O-CE2 3.3Å; S231-F274 WeakPolarHBondContact O-CE2 3.33Å; S231-F274 PolarHBondContact OG-N 2.9Å; L232-F274 VanDerWaalsContact C-CD2 3.47Å; L232-F274 WeakPolarHBondContact O-CD2 3.3Å; H233-F274 HydrophobicContact CB-CD2 4.17Å; H233-F274 HydrophobicContact CB-CE1 4.35Å; H233-F274 HydrophobicContact CB-CE2 3.83Å; H233-F274 HydrophobicContact CB-CZ 3.96Å; H233-F274 AromaticContact CD2-CD1 3.8Å; H233-F274 AromaticContact CD2-CE1 3.71Å; F238-F274 AromaticContact CD2-CZ 3.81Å; F238-F274 HydrophobicContact CD2-CZ 3.81Å; F238-F274 AromaticContact CE2-CE1 3.82Å; F238-F274 HydrophobicContact CE2-CE1 3.82Å; F238-F274 HydrophobicContact CE2-CE2 4.47Å; F238-F274 AromaticContact CE2-CZ 3.51Å; F238-F274 HydrophobicContact CE2-CZ 3.51Å; V240-F274 HydrophobicContact CB-CE2 4.28Å; V240-F274 HydrophobicContact CB-CZ 4.34Å; V240-F274 HydrophobicContact CG1-CE2 4.08Å; V240-F274 HydrophobicContact CG1-CZ 3.67Å; V240-F274 HydrophobicContact CG2-CD2 4.13Å; V240-F274 HydrophobicContact CG2-CE2 3.58Å; V240-F274 HydrophobicContact CG2-CZ 3.91Å; F274-L280 WeakPolarHBondContact CD1-O 3.34Å; F274-Y281 HydrophobicContact CD1-CD1 4.31Å; F274-Y281 HydrophobicContact CD1-CG 4.48Å; F274-Y281 AromaticContact CE1-CD1 3.7Å; F274-Y281 HydrophobicContact CE1-CD1 3.7Å; F274-Y281 HydrophobicContact CE1-CG 4.18Å; F274-Y281 HydrophobicContact CZ-CD1 4.24Å
275	S	98.4	Very high	98	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	11%	0.106	C	C	.	.			trans	-64.9	154.9	164.3	55.5	0	0	0	0	110.2	D277 G278 E279 L280	S275-D277 VanDerWaalsContact CB-OD1 3.28Å; S275-D277 WeakPolarHBondContact CB-OD1 3.38Å; S275-D277 PolarHBondContact O-N 2.95Å; S275-D277 PolarHBondContact OG-OD1 2.67Å; S275-G278 PolarHBondContact O-N 2.81Å; S275-E279 PolarHBondContact OG-N 3.06Å; S275-L280 PolarHBondContact N-O 3.27Å; S275-L280 PolarHBondContact OG-N 2.9Å; S275-L280 VanDerWaalsContact OG-N 3.15Å; S275-L280 PolarHBondContact OG-O 3.14Å
276	P	97.7	Very high	98.1	Very high	46 Å²	46	24.6 Å²	24.6	30%	0.299	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.2	-178.6	27.3	-38	0	0	0	113.7	S23 I25 Y30	S23-P276 WeakPolarHBondContact O-CG 3.33Å; I25-P276 HydrophobicContact CG1-CB 4.01Å; I25-P276 HydrophobicContact CG1-CG 3.83Å; Y30-P276 HydrophobicContact CD1-CG 4.16Å; Y30-P276 HydrophobicContact CD2-CG 4.09Å; Y30-P276 HydrophobicContact CG-CG 3.75Å
277	D	97.3	Very high	98.1	Very high	52 Å²	52	18.7 Å²	18.7	28%	0.278	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-4.1	174.1	68.4	-7.2	0	0	0	113.7	I25 Y30 S275 E279 Y301	I25-D277 HydrophobicContact CD1-CB 4.13Å; Y30-D277 WeakPolarHBondContact CE1-OD2 3.42Å; S275-D277 VanDerWaalsContact CB-OD1 3.28Å; S275-D277 WeakPolarHBondContact CB-OD1 3.38Å; S275-D277 PolarHBondContact O-N 2.95Å; S275-D277 PolarHBondContact OG-OD1 2.67Å; D277-E279 HydrophobicContact CB-CG 4.36Å; D277-E279 PolarHBondContact O-N 3.04Å; D277-E279 PolarHBondContact OD1-N 3.23Å; D277-E279 VanDerWaalsContact OD1-N 3.1Å; D277-Y301 PolarHBondContact OD2-OH 3.13Å
278	G	97.6	Very high	98.1	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.021	10%	0.098	C	C	.	.	S	Bend	trans	73.6	-2.7	179.7	0	0	0	0	0	115.4	H233 S275 L280 T295	H233-G278 PolarHBondContact CD2-O 3.47Å; H233-G278 VanDerWaalsContact NE2-CA 3.35Å; H233-G278 WeakPolarHBondContact NE2-CA 3.12Å; H233-G278 PolarHBondContact NE2-O 2.84Å; H233-G278 VanDerWaalsContact NE2-O 3.1Å; S275-G278 PolarHBondContact O-N 2.81Å; G278-L280 VanDerWaalsContact C-N 3.33Å; G278-L280 PolarHBondContact O-N 3.31Å; G278-T295 WeakPolarHBondContact O-CB 3.43Å; G278-T295 WeakPolarHBondContact O-CG2 3.24Å; G278-T295 PolarHBondContact O-OG1 2.92Å
279	E	97.6	Very high	98	Very high	50 Å²	50	19.1 Å²	19.1	23%	0.234	10%	0.1	C	C	.	.	S	Bend	trans	-74.6	-23.1	-172.8	-67.2	-67.8	165.2	0	0	113.7	S275 D277 T295 K299 Y301	S275-E279 PolarHBondContact OG-N 3.06Å; D277-E279 HydrophobicContact CB-CG 4.36Å; D277-E279 PolarHBondContact O-N 3.04Å; D277-E279 PolarHBondContact OD1-N 3.23Å; D277-E279 VanDerWaalsContact OD1-N 3.1Å; E279-T295 VanDerWaalsContact C-OG1 3.29Å; E279-T295 VanDerWaalsContact O-CB 3.27Å; E279-T295 WeakPolarHBondContact O-CB 3.5Å; E279-T295 PolarHBondContact O-N 2.95Å; E279-T295 PolarHBondContact O-OG1 3.44Å; E279-K299 IonicContact OE1-NZ 2.63Å; E279-K299 PolarHBondContact OE1-NZ 2.89Å; E279-K299 WeakPolarHBondContact OE2-CD 3.49Å; E279-K299 VanDerWaalsContact OE2-CE 3.26Å; E279-K299 WeakPolarHBondContact OE2-CE 3.15Å; E279-K299 IonicContact OE2-NZ 2.69Å; E279-K299 PolarHBondContact OE2-NZ 2.9Å; E279-Y301 HydrophobicContact CB-CD1 4.01Å; E279-Y301 HydrophobicContact CB-CD2 3.69Å; E279-Y301 HydrophobicContact CB-CE1 3.69Å; E279-Y301 HydrophobicContact CB-CE2 3.32Å; E279-Y301 HydrophobicContact CB-CG 4.02Å; E279-Y301 HydrophobicContact CG-CD2 3.86Å; E279-Y301 HydrophobicContact CG-CE2 3.44Å; E279-Y301 VanDerWaalsContact CG-CE2 3.44Å
280	L	97.9	Very high	97.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	172.5	173.4	68.4	73.5	0	0	0	112.7	F22 F274 S275 G278 L292 W293 T295 Y301 W304	F22-L280 HydrophobicContact CE1-CD1 4.22Å; F22-L280 HydrophobicContact CZ-CD1 3.67Å; F274-L280 WeakPolarHBondContact CD1-O 3.34Å; S275-L280 PolarHBondContact N-O 3.27Å; S275-L280 PolarHBondContact OG-N 2.9Å; S275-L280 VanDerWaalsContact OG-N 3.15Å; S275-L280 PolarHBondContact OG-O 3.14Å; G278-L280 VanDerWaalsContact C-N 3.33Å; G278-L280 PolarHBondContact O-N 3.31Å; L280-L292 HydrophobicContact CD1-CD2 4.24Å; L280-L292 HydrophobicContact CD2-CB 4.44Å; L280-L292 HydrophobicContact CD2-CD1 4.13Å; L280-W293 CarbonylContact C-O 3.59Å; L280-W293 WeakPolarHBondContact CA-O 3.49Å; L280-W293 WeakPolarHBondContact CB-O 3.33Å; L280-T295 PolarHBondContact N-OG1 3.17Å; L280-Y301 HydrophobicContact CD2-CD1 4.47Å; L280-Y301 HydrophobicContact CD2-CE1 3.9Å; L280-Y301 HydrophobicContact CG-CE1 4.28Å; L280-W304 HydrophobicContact CB-CH2 4.45Å; L280-W304 HydrophobicContact CB-CZ3 4.39Å; L280-W304 HydrophobicContact CD2-CH2 4.3Å; L280-W304 HydrophobicContact CD2-CZ3 3.93Å
281	Y	98.5	Very high	97.9	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.5	165	55.9	-81.8	0	0	0	110.9	V240 L248 Y262 V272 R273 F274 L292 W293	V240-Y281 HydrophobicContact CB-CD2 4.41Å; V240-Y281 HydrophobicContact CB-CE2 4.42Å; V240-Y281 HydrophobicContact CG1-CD1 4.2Å; V240-Y281 HydrophobicContact CG1-CD2 4.31Å; V240-Y281 HydrophobicContact CG1-CE1 4.03Å; V240-Y281 HydrophobicContact CG1-CE2 4.11Å; V240-Y281 HydrophobicContact CG1-CG 4.35Å; V240-Y281 HydrophobicContact CG2-CD2 4Å; V240-Y281 HydrophobicContact CG2-CE2 4.49Å; V240-Y281 HydrophobicContact CG2-CG 4.11Å; L248-Y281 HydrophobicContact CD1-CE2 4.23Å; L248-Y281 HydrophobicContact CD2-CE2 4.31Å; Y262-Y281 WeakPolarHBondContact CE2-OH 3.46Å; V272-Y281 HydrophobicContact CG2-CD2 3.83Å; R273-Y281 CarbonylContact O-C 3.57Å; R273-Y281 WeakPolarHBondContact O-CA 3.32Å; R273-Y281 VanDerWaalsContact O-CB 3.25Å; R273-Y281 WeakPolarHBondContact O-CB 3.27Å; F274-Y281 HydrophobicContact CD1-CD1 4.31Å; F274-Y281 HydrophobicContact CD1-CG 4.48Å; F274-Y281 AromaticContact CE1-CD1 3.7Å; F274-Y281 HydrophobicContact CE1-CD1 3.7Å; F274-Y281 HydrophobicContact CE1-CG 4.18Å; F274-Y281 HydrophobicContact CZ-CD1 4.24Å; Y281-L292 CarbonylContact O-C 3.52Å; Y281-L292 WeakPolarHBondContact O-CA 3.28Å; Y281-W293 HydrophobicContact CD1-CB 3.97Å; Y281-W293 HydrophobicContact CD2-CB 3.78Å; Y281-W293 AromaticContact CD2-CD1 3.73Å; Y281-W293 AromaticContact CD2-CG 3.9Å; Y281-W293 HydrophobicContact CD2-CG 3.9Å; Y281-W293 HydrophobicContact CE1-CB 3.52Å; Y281-W293 HydrophobicContact CE1-CG 4.46Å; Y281-W293 HydrophobicContact CE2-CB 3.33Å; Y281-W293 AromaticContact CE2-CD1 3.57Å; Y281-W293 HydrophobicContact CE2-CD2 4.1Å; Y281-W293 AromaticContact CE2-CG 3.37Å; Y281-W293 HydrophobicContact CE2-CG 3.37Å; Y281-W293 HydrophobicContact CG-CB 4.08Å; Y281-W293 AromaticContact CZ-CG 3.69Å; Y281-W293 PolarHBondContact N-O 2.79Å; Y281-W293 PolarHBondContact O-N 3.37Å; Y281-W293 WeakPolarHBondContact OH-CB 3.47Å
282	A	98.6	Very high	97.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	145	175.7	0	0	0	0	0	110.6	L20 F22 L32 V272 R273 R291 L292	L20-A282 HydrophobicContact CD1-CB 3.93Å; F22-A282 HydrophobicContact CE2-CB 3.9Å; F22-A282 HydrophobicContact CZ-CB 3.72Å; L32-A282 HydrophobicContact CD1-CB 4.3Å; L32-A282 HydrophobicContact CD2-CB 3.7Å; V272-A282 CarbonylContact C-O 3.51Å; V272-A282 WeakPolarHBondContact CA-O 3.42Å; V272-A282 WeakPolarHBondContact CG2-O 3.38Å; R273-A282 PolarHBondContact N-O 3.09Å; R273-A282 PolarHBondContact O-N 2.83Å; A282-R291 CarbonylContact C-O 3.47Å; A282-R291 VanDerWaalsContact CA-O 3.26Å; A282-R291 WeakPolarHBondContact CA-O 3.44Å; A282-L292 HydrophobicContact CB-CD2 3.65Å
283	S	98.6	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143	171.8	65.6	0	0	0	0	112	H265 C271 L290 R291 W293	H265-S283 PolarHBondContact NE2-OG 2.74Å; C271-S283 CarbonylContact O-C 3.59Å; C271-S283 VanDerWaalsContact O-CA 3.27Å; C271-S283 WeakPolarHBondContact O-CA 3.27Å; S283-L290 CarbonylContact O-C 3.47Å; S283-L290 VanDerWaalsContact O-CA 3.28Å; S283-L290 WeakPolarHBondContact O-CA 3.23Å; S283-R291 PolarHBondContact N-O 3.06Å; S283-R291 PolarHBondContact O-N 3.34Å; S283-W293 PolarHBondContact OG-NE1 2.8Å
284	G	98.4	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.2	175.1	0	0	0	0	0	111.1	V17 V269 H270 C271	V17-G284 CarbonylContact O-C 3.55Å; V269-G284 CarbonylContact C-O 3.54Å; H270-G284 PolarHBondContact N-O 2.84Å; C271-G284 PolarHBondContact N-O 2.92Å; C271-G284 PolarHBondContact O-N 3.24Å; C271-G284 VanDerWaalsContact SG-CA 3.58Å
285	S	98.4	Very high	97.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	160.9	-170	175.4	0	0	0	0	113.9	P16 V17 H265 G267 P268 D287 G288 T289	P16-S285 WeakPolarHBondContact CA-O 3.47Å; V17-S285 PolarHBondContact N-O 3.24Å; H265-S285 VanDerWaalsContact CG-CB 3.46Å; H265-S285 WeakPolarHBondContact ND1-CB 3.37Å; G267-S285 PolarHBondContact O-OG 3.43Å; P268-S285 CarbonylContact O-C 3.41Å; P268-S285 WeakPolarHBondContact O-CA 3.48Å; P268-S285 WeakPolarHBondContact O-CB 3.22Å; P268-S285 PolarHBondContact O-OG 3.04Å; S285-D287 WeakPolarHBondContact CB-OD1 3.42Å; S285-D287 PolarHBondContact O-N 3.23Å; S285-D287 PolarHBondContact OG-N 3.5Å; S285-G288 PolarHBondContact O-N 2.97Å; S285-G288 VanDerWaalsContact O-N 3.1Å; S285-T289 PolarHBondContact N-O 2.97Å
286	E	98	Very high	97.3	Very high	79 Å²	79	19.7 Å²	19.7	37%	0.369	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-24.2	166.4	-165.7	63.3	-156.7	0	0	112.8	P16 K37 P268 H270 G288	P16-E286 WeakPolarHBondContact CB-OE2 3.38Å; P16-E286 HydrophobicContact CG-CG 4.15Å; P16-E286 WeakPolarHBondContact CG-OE1 3.1Å; P16-E286 VanDerWaalsContact CG-OE2 3.23Å; P16-E286 WeakPolarHBondContact CG-OE2 3.46Å; K37-E286 IonicContact NZ-OE1 3.23Å; K37-E286 IonicContact NZ-OE2 2.78Å; K37-E286 PolarHBondContact NZ-OE2 3.05Å; P268-E286 HydrophobicContact CB-CB 4.4Å; P268-E286 HydrophobicContact CG-CB 4.39Å; P268-E286 PolarHBondContact O-N 2.96Å; H270-E286 PolarHBondContact CD2-N 2.77Å; H270-E286 IonicContact CD2-OE2 2.74Å; H270-E286 IonicContact CE1-OE2 2.74Å; H270-E286 IonicContact NE2-OE2 3.93Å; H270-E286 PolarHBondContact NE2-OE2 3.1Å; E286-G288 PolarHBondContact O-N 3.38Å; E286-G288 VanDerWaalsContact O-N 3.11Å
287	D	96.8	Very high	96.9	Very high	45 Å²	45	19.3 Å²	19.3	24%	0.241	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-3.6	175.5	73.2	11.2	0	0	0	114	H265 F266 S285 T289	H265-D287 VanDerWaalsContact CA-OD2 3.29Å; H265-D287 WeakPolarHBondContact CA-OD2 3.5Å; H265-D287 WeakPolarHBondContact CB-OD2 3.18Å; H265-D287 IonicContact CG-OD2 3.93Å; H265-D287 IonicContact ND1-OD1 3.86Å; H265-D287 PolarHBondContact ND1-OD1 2.86Å; H265-D287 IonicContact ND1-OD2 2.84Å; H265-D287 PolarHBondContact ND1-OD2 3.27Å; F266-D287 HydrophobicContact CB-CB 4.11Å; F266-D287 PolarHBondContact N-OD2 3.27Å; S285-D287 WeakPolarHBondContact CB-OD1 3.42Å; S285-D287 PolarHBondContact O-N 3.23Å; S285-D287 PolarHBondContact OG-N 3.5Å; D287-T289 VanDerWaalsContact C-N 3.28Å; D287-T289 VanDerWaalsContact CG-OG1 3.28Å; D287-T289 PolarHBondContact O-N 3.17Å; D287-T289 WeakPolarHBondContact OD1-CA 3.48Å; D287-T289 WeakPolarHBondContact OD1-CB 3.15Å; D287-T289 PolarHBondContact OD1-N 3.13Å; D287-T289 PolarHBondContact OD1-OG1 3.49Å; D287-T289 PolarHBondContact OD2-OG1 3.07Å
288	G	96	Very high	96.5	Very high	6 Å²	6	17.7 Å²	17.7	6%	0.062	10%	0.104	C	C	.	.	S	Bend	trans	76.9	11.2	178.8	0	0	0	0	0	114.6	H13 R15 S285 E286	H13-G288 WeakPolarHBondContact CB-O 3.28Å; R15-G288 WeakPolarHBondContact O-CA 3.44Å; S285-G288 PolarHBondContact O-N 2.97Å; S285-G288 VanDerWaalsContact O-N 3.1Å; E286-G288 PolarHBondContact O-N 3.38Å; E286-G288 VanDerWaalsContact O-N 3.11Å
289	T	96.8	Very high	96.2	Very high	31 Å²	31	22 Å²	22	19%	0.19	12%	0.123	C	C	.	.			trans	-103.9	149.4	174.6	71.4	0	0	0	0	111.7	T9 H265 S285 D287	T9-T289 HydrophobicContact CG2-CG2 4.31Å; H265-T289 PolarHBondContact CE1-OG1 2.98Å; H265-T289 VanDerWaalsContact CE1-OG1 3.28Å; H265-T289 PolarHBondContact ND1-OG1 2.78Å; H265-T289 VanDerWaalsContact ND1-OG1 3.16Å; S285-T289 PolarHBondContact N-O 2.97Å; D287-T289 VanDerWaalsContact C-N 3.28Å; D287-T289 VanDerWaalsContact CG-OG1 3.28Å; D287-T289 PolarHBondContact O-N 3.17Å; D287-T289 WeakPolarHBondContact OD1-CA 3.48Å; D287-T289 WeakPolarHBondContact OD1-CB 3.15Å; D287-T289 PolarHBondContact OD1-N 3.13Å; D287-T289 PolarHBondContact OD1-OG1 3.49Å; D287-T289 PolarHBondContact OD2-OG1 3.07Å
290	L	97.3	Very high	96	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141	162.8	-177.7	159.4	0	0	0	107.9	C10 L20 L32 S283 L292	C10-L290 HydrophobicContact CB-CB 4.04Å; C10-L290 HydrophobicContact CB-CD2 3.53Å; C10-L290 HydrophobicContact CB-CG 4.32Å; C10-L290 WeakPolarHBondContact CB-O 3.26Å; C10-L290 PolarHBondContact N-O 2.69Å; C10-L290 VanDerWaalsContact SG-CD2 3.56Å; L20-L290 HydrophobicContact CD2-CD1 3.36Å; L20-L290 HydrophobicContact CD2-CG 4.18Å; L32-L290 HydrophobicContact CD2-CD1 3.92Å; L32-L290 HydrophobicContact CD2-CD2 3.9Å; L32-L290 HydrophobicContact CG-CD1 4.49Å; S283-L290 CarbonylContact O-C 3.47Å; S283-L290 VanDerWaalsContact O-CA 3.28Å; S283-L290 WeakPolarHBondContact O-CA 3.23Å; L290-L292 HydrophobicContact CD2-CD2 3.94Å; L290-L292 HydrophobicContact CD2-CG 4.48Å
291	R	98.3	Very high	95.7	Very high	25 Å²	25	25.7 Å²	25.7	9%	0.094	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.9	177	-67.2	-177.5	-171.3	-154.3	11.5	112.4	P7 L8 G264 A282 S283 W293	P7-R291 HydrophobicContact CB-CB 4.12Å; P7-R291 HydrophobicContact CB-CG 4.49Å; L8-R291 CarbonylContact O-C 3.55Å; L8-R291 WeakPolarHBondContact O-CA 3.39Å; G264-R291 VanDerWaalsContact C-CZ 3.4Å; G264-R291 PolarHBondContact O-NH1 2.88Å; G264-R291 PolarHBondContact O-NH2 2.95Å; A282-R291 CarbonylContact C-O 3.47Å; A282-R291 VanDerWaalsContact CA-O 3.26Å; A282-R291 WeakPolarHBondContact CA-O 3.44Å; S283-R291 PolarHBondContact N-O 3.06Å; S283-R291 PolarHBondContact O-N 3.34Å; R291-W293 HydrophobicContact CB-CZ2 4.15Å
292	L	98.4	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.1	169.4	-51.6	-178.5	0	0	0	109.8	P7 L8 L32 L280 Y281 A282 L290 W304	P7-L292 CarbonylContact C-O 3.56Å; P7-L292 WeakPolarHBondContact CA-O 3.47Å; P7-L292 WeakPolarHBondContact CB-O 3.46Å; L8-L292 HydrophobicContact CB-CB 4.28Å; L8-L292 PolarHBondContact N-O 3.39Å; L8-L292 PolarHBondContact O-N 3.3Å; L32-L292 HydrophobicContact CD2-CD2 3.92Å; L280-L292 HydrophobicContact CD1-CD2 4.24Å; L280-L292 HydrophobicContact CD2-CB 4.44Å; L280-L292 HydrophobicContact CD2-CD1 4.13Å; Y281-L292 CarbonylContact O-C 3.52Å; Y281-L292 WeakPolarHBondContact O-CA 3.28Å; A282-L292 HydrophobicContact CB-CD2 3.65Å; L290-L292 HydrophobicContact CD2-CD2 3.94Å; L290-L292 HydrophobicContact CD2-CG 4.48Å; L292-W304 HydrophobicContact CB-CH2 3.65Å; L292-W304 HydrophobicContact CB-CZ2 4.33Å; L292-W304 WeakPolarHBondContact O-CZ2 3.33Å
293	W	97.6	Very high	95	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.9	-174.8	-54.2	81.5	0	0	0	109.7	Q5 P7 L248 Y262 L280 Y281 S283 R291	Q5-W293 HydrophobicContact CG-CE3 3.85Å; Q5-W293 HydrophobicContact CG-CZ3 4.31Å; P7-W293 HydrophobicContact CB-CD2 3.74Å; P7-W293 HydrophobicContact CB-CE3 3.75Å; P7-W293 HydrophobicContact CB-CG 4.44Å; P7-W293 HydrophobicContact CB-CH2 3.87Å; P7-W293 HydrophobicContact CB-CZ2 3.81Å; P7-W293 HydrophobicContact CB-CZ3 3.81Å; P7-W293 HydrophobicContact CG-CE3 4.19Å; P7-W293 HydrophobicContact CG-CH2 3.67Å; P7-W293 HydrophobicContact CG-CZ2 4.03Å; P7-W293 HydrophobicContact CG-CZ3 3.74Å; L248-W293 HydrophobicContact CD1-CD2 3.77Å; L248-W293 HydrophobicContact CD1-CE3 4.33Å; L248-W293 HydrophobicContact CD1-CG 4.34Å; L248-W293 HydrophobicContact CD1-CH2 3.81Å; L248-W293 HydrophobicContact CD1-CZ2 3.2Å; L248-W293 HydrophobicContact CD1-CZ3 4.35Å; L248-W293 VanDerWaalsContact CD1-NE1 3.35Å; Y262-W293 HydrophobicContact CG-CZ3 4.29Å; L280-W293 CarbonylContact C-O 3.59Å; L280-W293 WeakPolarHBondContact CA-O 3.49Å; L280-W293 WeakPolarHBondContact CB-O 3.33Å; Y281-W293 HydrophobicContact CD1-CB 3.97Å; Y281-W293 HydrophobicContact CD2-CB 3.78Å; Y281-W293 AromaticContact CD2-CD1 3.73Å; Y281-W293 AromaticContact CD2-CG 3.9Å; Y281-W293 HydrophobicContact CD2-CG 3.9Å; Y281-W293 HydrophobicContact CE1-CB 3.52Å; Y281-W293 HydrophobicContact CE1-CG 4.46Å; Y281-W293 HydrophobicContact CE2-CB 3.33Å; Y281-W293 AromaticContact CE2-CD1 3.57Å; Y281-W293 HydrophobicContact CE2-CD2 4.1Å; Y281-W293 AromaticContact CE2-CG 3.37Å; Y281-W293 HydrophobicContact CE2-CG 3.37Å; Y281-W293 HydrophobicContact CG-CB 4.08Å; Y281-W293 AromaticContact CZ-CG 3.69Å; Y281-W293 PolarHBondContact N-O 2.79Å; Y281-W293 PolarHBondContact O-N 3.37Å; Y281-W293 WeakPolarHBondContact OH-CB 3.47Å; S283-W293 PolarHBondContact OG-NE1 2.8Å; R291-W293 HydrophobicContact CB-CZ2 4.15Å
294	Q	95.6	Very high	94.7	Very high	11 Å²	11	32.9 Å²	32.9	5%	0.051	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.8	177.5	-57.7	-163.1	-70.7	0	0	110.6	Q5 K299 W304	Q5-Q294 PolarHBondContact NE2-O 3.3Å; Q294-K299 PolarHBondContact NE2-O 3.3Å; Q294-W304 VanDerWaalsContact CD-CD1 3.5Å; Q294-W304 HydrophobicContact CG-CB 4.34Å; Q294-W304 HydrophobicContact CG-CD2 3.27Å; Q294-W304 HydrophobicContact CG-CE3 3.73Å; Q294-W304 HydrophobicContact CG-CG 3.58Å; Q294-W304 HydrophobicContact CG-CH2 4.08Å; Q294-W304 HydrophobicContact CG-CZ2 3.68Å; Q294-W304 HydrophobicContact CG-CZ3 4.12Å
295	T	94.9	Very high	94.1	Very high	15 Å²	15	41.4 Å²	41.4	9%	0.092	23%	0.226	C	C	.	.	S	Bend	trans	-68.9	-44.5	169.8	-68.7	0	0	0	0	111.7	F238 K250 G278 E279 L280	F238-T295 HydrophobicContact CE1-CG2 4.28Å; F238-T295 HydrophobicContact CE2-CG2 3.67Å; F238-T295 HydrophobicContact CZ-CG2 3.23Å; K250-T295 PolarHBondContact NZ-O 2.79Å; G278-T295 WeakPolarHBondContact O-CB 3.43Å; G278-T295 WeakPolarHBondContact O-CG2 3.24Å; G278-T295 PolarHBondContact O-OG1 2.92Å; E279-T295 VanDerWaalsContact C-OG1 3.29Å; E279-T295 VanDerWaalsContact O-CB 3.27Å; E279-T295 WeakPolarHBondContact O-CB 3.5Å; E279-T295 PolarHBondContact O-N 2.95Å; E279-T295 PolarHBondContact O-OG1 3.44Å; L280-T295 PolarHBondContact N-OG1 3.17Å
296	A	92.6	Very high	93.2	Very high	49 Å²	49	43.4 Å²	43.4	41%	0.405	24%	0.239	S	C	.	.	S	Bend	trans	-115.4	102.4	176.2	0	0	0	0	0	110.3	G298 K299	A296-G298 PolarHBondContact O-N 3.3Å; A296-K299 HydrophobicContact CB-CB 4.28Å; A296-K299 HydrophobicContact CB-CD 4.5Å; A296-K299 WeakPolarHBondContact O-CB 3.42Å; A296-K299 PolarHBondContact O-N 2.68Å; A296-K299 VanDerWaalsContact O-N 3.15Å
297	V	90.9	Very high	92.1	Very high	37 Å²	37	43.7 Å²	43.7	22%	0.224	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	126	-174.7	-176.4	0	0	0	0	111.1	M3 Q5 K299	M3-V297 HydrophobicContact CB-CG1 3.72Å; Q5-V297 HydrophobicContact CB-CG2 4.01Å; Q5-V297 HydrophobicContact CG-CG2 4.42Å; V297-K299 VanDerWaalsContact C-N 3.35Å
298	G	88.5	Confident	90.9	Very high	19 Å²	19	46.3 Å²	46.3	20%	0.196	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	11.7	178.4	0	0	0	0	0	114.6	A296 C306	A296-G298 PolarHBondContact O-N 3.3Å; G298-C306 WeakPolarHBondContact O-CB 3.04Å; G298-C306 PolarHBondContact O-SG 3.4Å
299	K	91.3	Very high	89.5	Confident	93 Å²	93	51.2 Å²	51.2	40%	0.404	29%	0.29	S	S	.	.			trans	-73.9	138.4	156.7	-176.8	175.3	176.4	177.6	0	108.9	E279 Q294 A296 V297 Y301	E279-K299 IonicContact OE1-NZ 2.63Å; E279-K299 PolarHBondContact OE1-NZ 2.89Å; E279-K299 WeakPolarHBondContact OE2-CD 3.49Å; E279-K299 VanDerWaalsContact OE2-CE 3.26Å; E279-K299 WeakPolarHBondContact OE2-CE 3.15Å; E279-K299 IonicContact OE2-NZ 2.69Å; E279-K299 PolarHBondContact OE2-NZ 2.9Å; Q294-K299 PolarHBondContact NE2-O 3.3Å; A296-K299 HydrophobicContact CB-CB 4.28Å; A296-K299 HydrophobicContact CB-CD 4.5Å; A296-K299 WeakPolarHBondContact O-CB 3.42Å; A296-K299 PolarHBondContact O-N 2.68Å; A296-K299 VanDerWaalsContact O-N 3.15Å; V297-K299 VanDerWaalsContact C-N 3.35Å; K299-Y301 PolarHBondContact O-N 3.39Å
300	T	92.3	Very high	88.1	Confident	86 Å²	86	57.9 Å²	57.9	53%	0.528	32%	0.319	S	S	.	.			trans	-71.6	117.6	168.7	-65	0	0	0	0	108.7	W304 C306	T300-W304 WeakPolarHBondContact CA-O 3.21Å; T300-C306 WeakPolarHBondContact OG1-CB 3.43Å; T300-C306 PolarHBondContact OG1-N 3.11Å; T300-C306 PolarHBondContact OG1-O 2.65Å
301	Y	93	Very high	86.3	Confident	41 Å²	41	62.4 Å²	62.4	16%	0.161	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-161.2	139.8	-177.3	-174.1	-91.6	0	0	0	109.4	Y30 D47 D277 E279 L280 K299 L303 W304	Y30-Y301 VanDerWaalsContact CE1-OH 3.32Å; Y30-Y301 WeakPolarHBondContact CE1-OH 3.18Å; Y30-Y301 PolarHBondContact OH-OH 3.43Å; D47-Y301 HydrophobicContact CB-CE1 4.08Å; D277-Y301 PolarHBondContact OD2-OH 3.13Å; E279-Y301 HydrophobicContact CB-CD1 4.01Å; E279-Y301 HydrophobicContact CB-CD2 3.69Å; E279-Y301 HydrophobicContact CB-CE1 3.69Å; E279-Y301 HydrophobicContact CB-CE2 3.32Å; E279-Y301 HydrophobicContact CB-CG 4.02Å; E279-Y301 HydrophobicContact CG-CD2 3.86Å; E279-Y301 HydrophobicContact CG-CE2 3.44Å; E279-Y301 VanDerWaalsContact CG-CE2 3.44Å; L280-Y301 HydrophobicContact CD2-CD1 4.47Å; L280-Y301 HydrophobicContact CD2-CE1 3.9Å; L280-Y301 HydrophobicContact CG-CE1 4.28Å; K299-Y301 PolarHBondContact O-N 3.39Å; Y301-L303 PolarHBondContact O-N 2.83Å; Y301-W304 HydrophobicContact CD1-CZ3 4.49Å; Y301-W304 PolarHBondContact N-O 3.03Å; Y301-W304 WeakPolarHBondContact O-CB 3.43Å; Y301-W304 PolarHBondContact O-N 3.18Å
302	G	90.6	Very high	84.3	Confident	35 Å²	35	67.1 Å²	67.1	36%	0.361	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	-122.5	-177.2	0	0	0	0	0	112.4
303	L	91.3	Very high	82	Confident	91 Å²	91	70.1 Å²	70.1	48%	0.476	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6	176.3	-59.7	-179.8	0	0	0	114.6	L8 T48 Y301 K305	L8-L303 HydrophobicContact CD1-CB 3.8Å; L8-L303 HydrophobicContact CD1-CD1 4.33Å; L8-L303 HydrophobicContact CD1-CG 4.4Å; L8-L303 HydrophobicContact CD2-CB 4.37Å; T48-L303 HydrophobicContact CG2-CD2 3.96Å; T48-L303 HydrophobicContact CG2-CG 4.01Å; T48-L303 WeakPolarHBondContact O-CD1 3.5Å; Y301-L303 PolarHBondContact O-N 2.83Å; L303-K305 PolarHBondContact O-N 3.49Å
304	W	92.7	Very high	79.7	Confident	26 Å²	26	75.3 Å²	75.3	10%	0.098	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-81.5	120.1	175.9	-64.8	-87.9	0	0	0	110.2	T6 L8 L280 L292 Q294 T300 Y301	T6-W304 PolarHBondContact O-NE1 2.82Å; L8-W304 HydrophobicContact CB-CZ2 4.28Å; L8-W304 HydrophobicContact CD1-CD2 3.83Å; L8-W304 HydrophobicContact CD1-CE3 3.81Å; L8-W304 HydrophobicContact CD1-CH2 3.62Å; L8-W304 HydrophobicContact CD1-CZ2 3.61Å; L8-W304 HydrophobicContact CD1-CZ3 3.71Å; L8-W304 HydrophobicContact CG-CD2 4.2Å; L8-W304 HydrophobicContact CG-CH2 4.04Å; L8-W304 HydrophobicContact CG-CZ2 3.52Å; L280-W304 HydrophobicContact CB-CH2 4.45Å; L280-W304 HydrophobicContact CB-CZ3 4.39Å; L280-W304 HydrophobicContact CD2-CH2 4.3Å; L280-W304 HydrophobicContact CD2-CZ3 3.93Å; L292-W304 HydrophobicContact CB-CH2 3.65Å; L292-W304 HydrophobicContact CB-CZ2 4.33Å; L292-W304 WeakPolarHBondContact O-CZ2 3.33Å; Q294-W304 VanDerWaalsContact CD-CD1 3.5Å; Q294-W304 HydrophobicContact CG-CB 4.34Å; Q294-W304 HydrophobicContact CG-CD2 3.27Å; Q294-W304 HydrophobicContact CG-CE3 3.73Å; Q294-W304 HydrophobicContact CG-CG 3.58Å; Q294-W304 HydrophobicContact CG-CH2 4.08Å; Q294-W304 HydrophobicContact CG-CZ2 3.68Å; Q294-W304 HydrophobicContact CG-CZ3 4.12Å; T300-W304 WeakPolarHBondContact CA-O 3.21Å; Y301-W304 HydrophobicContact CD1-CZ3 4.49Å; Y301-W304 PolarHBondContact N-O 3.03Å; Y301-W304 WeakPolarHBondContact O-CB 3.43Å; Y301-W304 PolarHBondContact O-N 3.18Å
305	K	85.2	Confident	77.4	Confident	179 Å²	179	83.1 Å²	83.1	78%	0.778	47%	0.469	S	S	*	.			trans	-107.2	122.1	174	-64.2	-172.2	178.2	-173.8	0	109.9	L303 V307	L303-K305 PolarHBondContact O-N 3.49Å; K305-V307 HydrophobicContact CB-CG2 4.41Å
306	C	79.8	Confident	75.1	Confident	41 Å²	41	90 Å²	90	28%	0.277	51%	0.506	S	S	.	.			trans	-93.7	113	164.1	-162.3	0	0	0	0	108.3	G298 T300	G298-C306 WeakPolarHBondContact O-CB 3.04Å; G298-C306 PolarHBondContact O-SG 3.4Å; T300-C306 WeakPolarHBondContact OG1-CB 3.43Å; T300-C306 PolarHBondContact OG1-N 3.11Å; T300-C306 PolarHBondContact OG1-O 2.65Å
307	V	73.6	Confident	72.7	Confident	85 Å²	85	92.2 Å²	92.2	52%	0.515	52%	0.518	S	S	.	.			trans	-114.2	116.1	174.7	-175.9	0	0	0	0	106.8	K305 D311 L312	K305-V307 HydrophobicContact CB-CG2 4.41Å; V307-D311 HydrophobicContact CG1-CB 4.36Å; V307-L312 HydrophobicContact CG1-CD2 3.92Å; V307-L312 HydrophobicContact CG1-CG 3.98Å
308	L	73.4	Confident	70.4	Confident	100 Å²	100	98.7 Å²	98.7	52%	0.524	55%	0.546	S	S	.	.			trans	-76.5	149.5	175.5	-64.1	175.1	0	0	0	109.3	E310 D311	L308-E310 PolarHBondContact O-N 3.06Å; L308-D311 PolarHBondContact O-N 2.78Å
309	P	65.6	Low	68.2	Low	109 Å²	109	106.7 Å²	106.7	71%	0.708	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-55.6	-27.8	179.7	-26.8	34.9	0	0	0	114.4	D311	P309-D311 VanDerWaalsContact C-N 3.33Å
310	E	66.6	Low	65.8	Low	172 Å²	172	109.5 Å²	109.5	80%	0.804	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-71.2	-27.6	-179.8	-62.5	175.1	-163.8	0	0	112.4	L308	L308-E310 PolarHBondContact O-N 3.06Å
311	D	60.1	Low	63.3	Low	95 Å²	95	116.1 Å²	116.1	51%	0.508	61%	0.613	S	S	.	*	G	3₁₀ helix	trans	-82.3	-12.8	-179.5	-58.7	-40.3	0	0	0	113	V307 L308 P309 G313	V307-D311 HydrophobicContact CG1-CB 4.36Å; L308-D311 PolarHBondContact O-N 2.78Å; P309-D311 VanDerWaalsContact C-N 3.33Å; D311-G313 PolarHBondContact O-N 3.34Å
312	L	57.8	Low	60.8	Low	123 Å²	123	119 Å²	119	64%	0.644	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-76.3	-11.7	176.7	-69.9	167.8	0	0	0	113	V307	V307-L312 HydrophobicContact CG1-CD2 3.92Å; V307-L312 HydrophobicContact CG1-CG 3.98Å
313	G	49.3	Very low	58.5	Low	63 Å²	63	122.9 Å²	122.9	65%	0.649	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-88.5	-10.9	-172.2	0	0	0	0	0	116.2	D311	D311-G313 PolarHBondContact O-N 3.34Å
314	T	50	Low	56.3	Low	112 Å²	112	125 Å²	125	69%	0.687	68%	0.679	S	S	*	*	S	Bend	trans	-110.8	-15.7	-167.1	38.7	0	0	0	0	116.1
315	E	47	Very low	54	Low	175 Å²	175	129.1 Å²	129.1	82%	0.818	71%	0.708	S	S	*	*	S	Bend	trans	-107.3	-7.1	-171.1	-72.1	-165.5	155.2	0	0	116.4
316	N	46.7	Very low	51.9	Low	160 Å²	160	129.1 Å²	129.1	86%	0.856	71%	0.711	S	S	*	*	S	Bend	trans	-107.6	8.9	-170.5	-90.1	-22.7	0	0	0	117
317	S	41.2	Very low	50.3	Low	94 Å²	94	134.9 Å²	134.9	66%	0.657	74%	0.738	S	S	*	*	S	Bend	trans	-112.8	-15	-175.6	53.7	0	0	0	0	117
318	E	43.7	Very low	49	Very low	173 Å²	173	139.8 Å²	139.8	81%	0.808	75%	0.752	S	S	*	*	S	Bend	trans	-110.8	-5.1	-168.7	-72.1	-159.7	159.8	0	0	117.7
319	Q	41.6	Very low	47.9	Very low	187 Å²	187	143.2 Å²	143.2	87%	0.874	80%	0.795	S	S	*	*	S	Bend	trans	-109.9	2	-176.4	-76.2	-169.7	-0.6	0	0	117.2
320	L	40.3	Very low	47	Very low	152 Å²	152	145 Å²	145	80%	0.796	80%	0.799	S	S	*	*	S	Bend	trans	-97.9	-4.4	-178.3	-104.5	95.4	0	0	0	116.7
321	Y	39.8	Very low	46	Very low	225 Å²	225	143.5 Å²	143.5	88%	0.882	80%	0.799	S	S	*	*	S	Bend	trans	-132.9	22.4	-171.2	-74.2	-71.1	0	0	0	117
322	S	40.9	Very low	45.2	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	82%	0.815	S	S	*	*			trans	-127.3	59.5	175.7	61.5	0	0	0	0	113.7
323	S	42.3	Very low	44.4	Very low	115 Å²	115	147.6 Å²	147.6	80%	0.804	83%	0.825	S	S	*	*			trans	-145.3	94.3	155.1	51.2	0	0	0	0	111.2
324	T	44.2	Very low	44.1	Very low	137 Å²	137	152.9 Å²	152.9	84%	0.84	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-80.9	125.7	161.3	-33.9	0	0	0	0	107.4
325	P	44.5	Very low	43.7	Very low	111 Å²	111	155.6 Å²	155.6	72%	0.721	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-78.7	126.2	179	25.3	-23.6	0	0	0	110.7	I327	P325-I327 PolarHBondContact O-N 3.42Å
326	E	42.7	Very low	43.5	Very low	179 Å²	179	154.2 Å²	154.2	84%	0.836	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-68.3	116.2	168.6	-78.3	-173.6	159.2	0	0	110.1
327	I	45.2	Very low	43.3	Very low	163 Å²	163	153.8 Å²	153.8	84%	0.836	85%	0.848	S	S	*	*			trans	-83.2	114.5	168.3	-60.2	173.6	0	0	0	107.2	P325	P325-I327 PolarHBondContact O-N 3.42Å
328	K	46	Very low	43.4	Very low	187 Å²	187	158.8 Å²	158.8	81%	0.813	86%	0.863	S	S	*	*			trans	-84.3	128.7	167.6	-74.5	-174.6	177.5	178.7	0	109.7
329	A	50.2	Low	43.4	Very low	173 Å²	173	157.5 Å²	157.5	100%	1.43	87%	0.868	S	S	*	*			trans	-71.4	0	172.3	0	0	0	0	0	112.2

Retrieved 329 of 329 residues in 734 ms (Link to these results)

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