A0A096N9M0_PAPAN Loading...

Serine-threonine kinase receptor-associated protein

AlphaFold DB (A0A2K6LCX5), UniProt , Accession A0A096N9M0, Species PAPAN (Papio anubis, Olive baboon), Gene STRAP, Length 350 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.1	Low	84.8	Confident	243 Å²	243	91.5 Å²	91.5	100%	1.197	50%	0.498	S	S	*	.				0	126.6	0	-109	-179.5	-167	0	0	106.9	M3	M1-M3 PolarHBondContact O-N 2.68Å
2	A	66.3	Low	85.4	Confident	104 Å²	104	87.4 Å²	87.4	86%	0.86	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-66.5	129.7	170.5	0	0	0	0	0	108.5
3	M	78.9	Confident	86.2	Confident	112 Å²	112	82 Å²	82	55%	0.552	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-68.4	137.6	176.9	-75.5	-161.5	-92.6	0	0	109.7	M1 V296	M1-M3 PolarHBondContact O-N 2.68Å; M3-V296 HydrophobicContact CB-CG1 3.78Å
4	R	83.9	Confident	86.9	Confident	220 Å²	220	84.4 Å²	84.4	83%	0.83	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-84.5	126	-179.6	179.8	-179.1	176.4	-176.8	-0.6	109.8	T6	R4-T6 PolarHBondContact O-N 2.74Å
5	Q	90.4	Very high	87.7	Confident	19 Å²	19	88.7 Å²	88.7	9%	0.089	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-64.9	123.3	170.6	-171.6	157.8	-66.1	0	0	110.8	Y261 Y280 W292 Q293 V296	Q5-Y261 HydrophobicContact CB-CD1 3.66Å; Q5-Y261 HydrophobicContact CB-CE1 3.76Å; Q5-Y261 VanDerWaalsContact CD-CZ 3.44Å; Q5-Y261 HydrophobicContact CG-CD1 4.06Å; Q5-Y261 HydrophobicContact CG-CE1 4.15Å; Q5-Y261 HydrophobicContact CG-CG 4.49Å; Q5-Y261 VanDerWaalsContact NE2-CZ 3.28Å; Q5-Y261 VanDerWaalsContact OE1-CE1 3.28Å; Q5-Y261 PolarHBondContact OE1-OH 3.21Å; Q5-Y280 PolarHBondContact NE2-OH 2.59Å; Q5-W292 HydrophobicContact CG-CE3 4.14Å; Q5-W292 VanDerWaalsContact NE2-CE3 3.26Å; Q5-Q293 PolarHBondContact OE1-O 3.08Å; Q5-V296 HydrophobicContact CB-CG1 4.45Å; Q5-V296 HydrophobicContact CB-CG2 3.93Å; Q5-V296 HydrophobicContact CG-CG2 4.23Å
6	T	90.7	Very high	88.3	Confident	85 Å²	85	84.1 Å²	84.1	52%	0.521	46%	0.459	S	S	.	.			trans	-122.2	114	175.6	-56.4	0	0	0	0	108.5	R4 W303	R4-T6 PolarHBondContact O-N 2.74Å; T6-W303 PolarHBondContact O-NE1 2.96Å
7	P	94.9	Very high	88.9	Confident	23 Å²	23	79.1 Å²	79.1	15%	0.149	43%	0.432	C	S	.	.			trans	-71.9	147.6	179.2	27	-32.6	0	0	0	111.9	R290 L291 W292	P7-R290 HydrophobicContact CB-CB 4.13Å; P7-R290 HydrophobicContact CB-CG 4.44Å; P7-L291 CarbonylContact C-O 3.49Å; P7-L291 WeakPolarHBondContact CA-O 3.47Å; P7-L291 WeakPolarHBondContact CB-O 3.38Å; P7-W292 HydrophobicContact CB-CD2 3.72Å; P7-W292 HydrophobicContact CB-CE3 3.6Å; P7-W292 HydrophobicContact CB-CH2 3.85Å; P7-W292 HydrophobicContact CB-CZ2 3.86Å; P7-W292 HydrophobicContact CB-CZ3 3.7Å; P7-W292 HydrophobicContact CG-CE3 4.05Å; P7-W292 HydrophobicContact CG-CH2 3.67Å; P7-W292 HydrophobicContact CG-CZ2 4.09Å; P7-W292 HydrophobicContact CG-CZ3 3.62Å
8	L	95.9	Very high	89.4	Confident	39 Å²	39	75.9 Å²	75.9	20%	0.204	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.3	164.6	-58.7	172.2	0	0	0	108.3	R290 L291 L302 W303	L8-R290 CarbonylContact O-C 3.58Å; L8-R290 WeakPolarHBondContact O-CA 3.5Å; L8-L291 HydrophobicContact CB-CB 4.26Å; L8-L291 PolarHBondContact N-O 2.78Å; L8-L291 PolarHBondContact O-N 2.95Å; L8-L302 HydrophobicContact CD1-CB 3.83Å; L8-L302 HydrophobicContact CD1-CD1 4.31Å; L8-L302 HydrophobicContact CD1-CG 4.39Å; L8-L302 HydrophobicContact CD2-CB 4.32Å; L8-W303 HydrophobicContact CB-CZ2 4.28Å; L8-W303 HydrophobicContact CD1-CD2 3.88Å; L8-W303 HydrophobicContact CD1-CE3 3.81Å; L8-W303 HydrophobicContact CD1-CH2 3.57Å; L8-W303 HydrophobicContact CD1-CZ2 3.62Å; L8-W303 HydrophobicContact CD1-CZ3 3.65Å; L8-W303 HydrophobicContact CG-CD2 4.22Å; L8-W303 HydrophobicContact CG-CH2 3.97Å; L8-W303 HydrophobicContact CG-CZ2 3.51Å; L8-W303 HydrophobicContact CG-CZ3 4.46Å
9	T	96.1	Very high	89.9	Confident	67 Å²	67	72.7 Å²	72.7	41%	0.411	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.2	179.9	-58	0	0	0	0	110.4	S11 T288	T9-S11 PolarHBondContact O-N 3.47Å; T9-T288 HydrophobicContact CG2-CG2 4.18Å
10	C	95.7	Very high	90.3	Very high	6 Å²	6	69.1 Å²	69.1	4%	0.041	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	92.5	177.7	-60.2	0	0	0	0	109.5	G49 L289	C10-G49 VanDerWaalsContact SG-CA 3.58Å; C10-L289 HydrophobicContact CB-CB 4.07Å; C10-L289 HydrophobicContact CB-CD2 3.54Å; C10-L289 HydrophobicContact CB-CG 4.42Å; C10-L289 WeakPolarHBondContact CB-O 3.18Å; C10-L289 PolarHBondContact N-O 2.82Å; C10-L289 VanDerWaalsContact SG-CD2 3.56Å
11	S	89.1	Confident	90.7	Very high	89 Å²	89	66.6 Å²	66.6	62%	0.622	37%	0.366	S	S	*	.			trans	-75.3	155	-179.5	-59.3	0	0	0	0	112	T9 R44	T9-S11 PolarHBondContact O-N 3.47Å; S11-R44 PolarHBondContact O-NH1 3.34Å; S11-R44 PolarHBondContact O-NH2 3.41Å
12	G	91.4	Very high	93	Very high	42 Å²	42	56.4 Å²	56.4	43%	0.433	32%	0.315	S	S	.	.			trans	147.5	-38.2	171.3	0	0	0	0	0	113.6	M42	G12-M42 VanDerWaalsContact C-CE 3.43Å; G12-M42 VanDerWaalsContact O-CE 3.31Å; G12-M42 WeakPolarHBondContact O-CE 3.48Å
13	H	96.1	Very high	94.5	Very high	17 Å²	17	51.7 Å²	51.7	8%	0.079	28%	0.277	C	S	.	.			trans	-71.7	148.2	173.9	-71.8	-57	0	0	0	111.6	V17 S34 C36 D38 K40 G287	H13-V17 HydrophobicContact CB-CG2 4.01Å; H13-V17 VanDerWaalsContact CD2-CG2 3.48Å; H13-V17 WeakPolarHBondContact CD2-CG2 3.48Å; H13-S34 PolarHBondContact NE2-OG 2.95Å; H13-C36 HydrophobicContact CB-CB 4.38Å; H13-C36 WeakPolarHBondContact CE1-CB 3.27Å; H13-C36 WeakPolarHBondContact ND1-CB 3.14Å; H13-D38 WeakPolarHBondContact CA-OD2 3.43Å; H13-D38 IonicContact ND1-OD1 3.99Å; H13-D38 IonicContact ND1-OD2 2.79Å; H13-D38 PolarHBondContact ND1-OD2 2.92Å; H13-K40 PolarHBondContact CE1-O 3.34Å; H13-G287 WeakPolarHBondContact CB-O 3.41Å
14	T	96.3	Very high	95.4	Very high	115 Å²	115	47.2 Å²	47.2	71%	0.706	26%	0.259	S	S	*	.	S	Bend	trans	-114.2	-0.9	-178.5	57.4	0	0	0	0	113.1	D38	T14-D38 PolarHBondContact N-OD2 2.74Å; T14-D38 WeakPolarHBondContact OG1-CB 3.44Å; T14-D38 PolarHBondContact OG1-OD2 2.65Å
15	R	98.2	Very high	96	Very high	150 Å²	150	42.1 Å²	42.1	57%	0.566	25%	0.247	S	C	*	.	S	Bend	trans	-144.1	172	-177.8	-73.6	-165.9	177.5	-95.8	1.1	109.3	V17 C36 K37 D38 G287	R15-V17 PolarHBondContact O-N 3.3Å; R15-C36 VanDerWaalsContact C-SG 3.53Å; R15-C36 PolarHBondContact O-SG 3.32Å; R15-K37 HydrophobicContact CB-CB 3.99Å; R15-K37 WeakPolarHBondContact CD-O 3.21Å; R15-D38 HydrophobicContact CB-CB 3.93Å; R15-D38 HydrophobicContact CG-CB 4.05Å; R15-G287 WeakPolarHBondContact O-CA 3.36Å
16	P	98.4	Very high	96.3	Very high	14 Å²	14	42 Å²	42	9%	0.091	25%	0.248	C	C	.	.			trans	-49.5	132.8	-179.4	-33.8	37.9	0	0	0	114.2	V18 C36 K37 S284 E285	P16-V18 HydrophobicContact CB-CG1 4.27Å; P16-C36 WeakPolarHBondContact O-CA 3.29Å; P16-C36 PolarHBondContact O-SG 3.26Å; P16-K37 HydrophobicContact CB-CD 3.82Å; P16-K37 HydrophobicContact CB-CG 4.21Å; P16-K37 HydrophobicContact CG-CD 3.92Å; P16-K37 PolarHBondContact O-N 3.33Å; P16-S284 WeakPolarHBondContact CA-O 3.42Å; P16-E285 WeakPolarHBondContact CB-OE2 3.03Å; P16-E285 HydrophobicContact CG-CG 4.14Å; P16-E285 WeakPolarHBondContact CG-OE1 3.28Å; P16-E285 WeakPolarHBondContact CG-OE2 3.45Å
17	V	98.5	Very high	96.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.7	169.4	-176.3	0	0	0	0	107.4	H13 R15 A35 H269 G283 S284	H13-V17 HydrophobicContact CB-CG2 4.01Å; H13-V17 VanDerWaalsContact CD2-CG2 3.48Å; H13-V17 WeakPolarHBondContact CD2-CG2 3.48Å; R15-V17 PolarHBondContact O-N 3.3Å; V17-A35 WeakPolarHBondContact CA-O 3.47Å; V17-H269 PolarHBondContact O-CD2 2.86Å; V17-G283 CarbonylContact O-C 3.58Å; V17-S284 PolarHBondContact N-O 2.95Å
18	V	98.3	Very high	96.6	Very high	21 Å²	21	52 Å²	52	13%	0.127	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-22.1	-165.4	-67.8	0	0	0	0	114.5	P16 A35 K37 V62 W63	P16-V18 HydrophobicContact CB-CG1 4.27Å; V18-A35 HydrophobicContact CG2-CB 4.33Å; V18-A35 PolarHBondContact N-O 2.88Å; V18-K37 HydrophobicContact CG1-CD 4.26Å; V18-K37 HydrophobicContact CG1-CG 3.88Å; V18-V62 VanDerWaalsContact CG2-O 3.29Å; V18-V62 WeakPolarHBondContact CG2-O 3.31Å; V18-W63 HydrophobicContact CG2-CE3 4.33Å
19	D	98.5	Very high	96.6	Very high	15 Å²	15	51.5 Å²	51.5	8%	0.08	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	153	175.7	-164.1	28.2	0	0	0	108.3	A35 W63 G64 A65 K148	D19-A35 HydrophobicContact CB-CB 3.91Å; D19-A35 PolarHBondContact O-N 2.77Å; D19-W63 VanDerWaalsContact CB-O 3.32Å; D19-W63 WeakPolarHBondContact CB-O 3.12Å; D19-G64 WeakPolarHBondContact OD2-CA 3.29Å; D19-A65 PolarHBondContact OD2-N 3.2Å; D19-K148 VanDerWaalsContact CG-NZ 3.27Å; D19-K148 IonicContact OD1-NZ 3.08Å; D19-K148 PolarHBondContact OD1-NZ 2.78Å; D19-K148 IonicContact OD2-NZ 2.95Å; D19-K148 PolarHBondContact OD2-NZ 2.52Å
20	L	98.2	Very high	96.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	153.8	174.9	62.6	83.7	0	0	0	109.3	L32 I33 C270 R272 A281 L289	L20-L32 HydrophobicContact CB-CD1 4.14Å; L20-L32 HydrophobicContact CD1-CD1 4.12Å; L20-I33 VanDerWaalsContact CA-O 3.24Å; L20-I33 WeakPolarHBondContact CA-O 3.38Å; L20-I33 WeakPolarHBondContact CB-O 3.23Å; L20-C270 HydrophobicContact CD2-CB 4.44Å; L20-C270 VanDerWaalsContact CD2-SG 3.57Å; L20-C270 HydrophobicContact CG-CB 4.2Å; L20-R272 HydrophobicContact CD1-CB 3.43Å; L20-R272 VanDerWaalsContact CD1-CB 3.43Å; L20-R272 HydrophobicContact CD1-CG 3.37Å; L20-R272 HydrophobicContact CG-CG 4.41Å; L20-A281 HydrophobicContact CD1-CB 4.09Å; L20-A281 HydrophobicContact CD2-CB 3.99Å; L20-L289 HydrophobicContact CD2-CD1 4.09Å
21	A	98.6	Very high	96.8	Very high	16 Å²	16	49.9 Å²	49.9	13%	0.132	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	141.9	178.4	0	0	0	0	0	110.3	L32 I33 A65	A21-L32 WeakPolarHBondContact O-CD1 3.19Å; A21-I33 HydrophobicContact CB-CG2 3.99Å; A21-I33 PolarHBondContact N-O 3.3Å; A21-I33 PolarHBondContact O-N 3.37Å; A21-A65 WeakPolarHBondContact CB-O 3.21Å
22	F	98.6	Very high	97.3	Very high	29 Å²	29	45.6 Å²	45.6	13%	0.127	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	151.4	167.9	-71.7	-81.9	0	0	0	110.5	Y30 F31 L32 R272 F273 L279 A281	F22-Y30 AromaticContact CD1-CD2 3.67Å; F22-Y30 HydrophobicContact CD1-CD2 3.67Å; F22-Y30 AromaticContact CD1-CE2 3.8Å; F22-Y30 HydrophobicContact CD1-CE2 3.8Å; F22-Y30 HydrophobicContact CE1-CD2 4.07Å; F22-Y30 AromaticContact CE1-CE2 3.72Å; F22-Y30 HydrophobicContact CE1-CE2 3.72Å; F22-F31 CarbonylContact C-O 3.56Å; F22-F31 VanDerWaalsContact CA-O 3.26Å; F22-F31 WeakPolarHBondContact CA-O 3.37Å; F22-L32 HydrophobicContact CD1-CB 3.91Å; F22-L32 HydrophobicContact CD1-CD1 4.07Å; F22-L32 HydrophobicContact CD1-CG 4.49Å; F22-L32 HydrophobicContact CD2-CD1 4.28Å; F22-L32 HydrophobicContact CE1-CB 3.78Å; F22-L32 HydrophobicContact CE1-CD1 3.94Å; F22-L32 HydrophobicContact CE1-CD2 4.1Å; F22-L32 HydrophobicContact CE1-CG 4.15Å; F22-L32 HydrophobicContact CE2-CD1 4.13Å; F22-L32 HydrophobicContact CG-CD1 4.27Å; F22-L32 HydrophobicContact CZ-CD1 3.98Å; F22-L32 HydrophobicContact CZ-CD2 4.16Å; F22-L32 HydrophobicContact CZ-CG 4.47Å; F22-R272 HydrophobicContact CD2-CB 4.09Å; F22-R272 HydrophobicContact CE2-CB 4.2Å; F22-R272 WeakPolarHBondContact CE2-O 3.43Å; F22-F273 WeakPolarHBondContact CD2-O 3.41Å; F22-L279 HydrophobicContact CE1-CD1 4.15Å; F22-L279 HydrophobicContact CZ-CD1 3.61Å; F22-A281 HydrophobicContact CE2-CB 3.85Å; F22-A281 HydrophobicContact CZ-CB 3.67Å
23	S	98.3	Very high	97.6	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.042	23%	0.231	C	C	.	.			trans	-73.3	176.1	163.5	68.9	0	0	0	0	111.2	F31 P275	S23-F31 PolarHBondContact N-O 3.39Å; S23-F31 PolarHBondContact OG-N 3.32Å; S23-P275 WeakPolarHBondContact O-CG 3.4Å
24	G	96.9	Very high	97.7	Very high	18 Å²	18	42.8 Å²	42.8	19%	0.186	23%	0.227	C	C	.	.			trans	-67.4	172.4	159.7	0	0	0	0	0	111.9	T26 K69	G24-T26 PolarHBondContact O-N 3.32Å; G24-K69 VanDerWaalsContact CA-O 3.25Å; G24-K69 WeakPolarHBondContact CA-O 3.2Å; G24-K69 PolarHBondContact N-O 2.9Å
25	I	97.1	Very high	97.9	Very high	112 Å²	112	37.3 Å²	37.3	57%	0.574	19%	0.194	S	C	*	.			trans	-74.3	121.1	171.5	-58.7	173.6	0	0	0	108.5	P275 D276	I25-P275 HydrophobicContact CG1-CB 3.97Å; I25-P275 HydrophobicContact CG1-CG 3.79Å; I25-D276 HydrophobicContact CD1-CB 4.15Å
26	T	97.1	Very high	97.8	Very high	17 Å²	17	30.2 Å²	30.2	10%	0.104	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-107.4	170.1	177	81.1	0	0	0	0	110.1	G24 Y28 G29 F31 A71	G24-T26 PolarHBondContact O-N 3.32Å; T26-Y28 PolarHBondContact O-N 3.05Å; T26-Y28 PolarHBondContact OG1-N 3.4Å; T26-Y28 VanDerWaalsContact OG1-N 3.08Å; T26-G29 WeakPolarHBondContact CA-O 3.27Å; T26-G29 WeakPolarHBondContact CB-O 3.34Å; T26-G29 PolarHBondContact N-O 3.5Å; T26-G29 PolarHBondContact O-N 2.94Å; T26-G29 VanDerWaalsContact O-N 3.08Å; T26-G29 PolarHBondContact OG1-O 2.79Å; T26-F31 HydrophobicContact CG2-CE2 4.45Å; T26-A71 HydrophobicContact CG2-CB 4.02Å
27	P	96.1	Very high	97.8	Very high	129 Å²	129	32.4 Å²	32.4	84%	0.838	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-16.8	170.9	-25.7	36.3	0	0	0	114.7
28	Y	94.3	Very high	97.8	Very high	190 Å²	190	33.8 Å²	33.8	75%	0.745	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	15.9	-179.7	-50.8	-69.9	0	0	0	112.8	T26	T26-Y28 PolarHBondContact O-N 3.05Å; T26-Y28 PolarHBondContact OG1-N 3.4Å; T26-Y28 VanDerWaalsContact OG1-N 3.08Å
29	G	96.3	Very high	97.8	Very high	27 Å²	27	33.1 Å²	33.1	28%	0.278	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	90.7	-150.5	-170.9	0	0	0	0	0	111.1	T26	T26-G29 WeakPolarHBondContact CA-O 3.27Å; T26-G29 WeakPolarHBondContact CB-O 3.34Å; T26-G29 PolarHBondContact N-O 3.5Å; T26-G29 PolarHBondContact O-N 2.94Å; T26-G29 VanDerWaalsContact O-N 3.08Å; T26-G29 PolarHBondContact OG1-O 2.79Å
30	Y	98.3	Very high	97.7	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.027	20%	0.197	C	C	.	.			trans	-130.6	160.6	178.4	60.7	-90.4	0	0	0	109.8	F22 G46 D47 P275 D276 Y300	F22-Y30 AromaticContact CD1-CD2 3.67Å; F22-Y30 HydrophobicContact CD1-CD2 3.67Å; F22-Y30 AromaticContact CD1-CE2 3.8Å; F22-Y30 HydrophobicContact CD1-CE2 3.8Å; F22-Y30 HydrophobicContact CE1-CD2 4.07Å; F22-Y30 AromaticContact CE1-CE2 3.72Å; F22-Y30 HydrophobicContact CE1-CE2 3.72Å; Y30-G46 VanDerWaalsContact CE2-CA 3.48Å; Y30-G46 WeakPolarHBondContact CE2-O 3.43Å; Y30-G46 VanDerWaalsContact O-CA 3.22Å; Y30-G46 WeakPolarHBondContact O-CA 3.38Å; Y30-G46 PolarHBondContact O-N 2.99Å; Y30-D47 HydrophobicContact CE1-CB 4.31Å; Y30-D47 WeakPolarHBondContact OH-CA 3.46Å; Y30-P275 HydrophobicContact CD1-CG 4.15Å; Y30-P275 HydrophobicContact CD2-CG 4.1Å; Y30-P275 HydrophobicContact CG-CG 3.74Å; Y30-D276 WeakPolarHBondContact CE1-OD2 3.5Å; Y30-Y300 VanDerWaalsContact CE1-OH 3.29Å; Y30-Y300 WeakPolarHBondContact CE1-OH 3.23Å; Y30-Y300 PolarHBondContact OH-OH 3.12Å
31	F	98.7	Very high	97.7	Very high	32 Å²	32	37.2 Å²	37.2	14%	0.14	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157	-171.8	-59.9	-85.8	0	0	0	110.6	F22 S23 T26 L43 R44 I52 L67 A71	F22-F31 CarbonylContact C-O 3.56Å; F22-F31 VanDerWaalsContact CA-O 3.26Å; F22-F31 WeakPolarHBondContact CA-O 3.37Å; S23-F31 PolarHBondContact N-O 3.39Å; S23-F31 PolarHBondContact OG-N 3.32Å; T26-F31 HydrophobicContact CG2-CE2 4.45Å; F31-L43 HydrophobicContact CB-CD1 4.03Å; F31-R44 WeakPolarHBondContact CA-O 3.41Å; F31-I52 HydrophobicContact CD1-CD1 3.46Å; F31-I52 VanDerWaalsContact CD1-CD1 3.46Å; F31-I52 HydrophobicContact CE1-CD1 3.56Å; F31-L67 HydrophobicContact CB-CD1 3.86Å; F31-A71 HydrophobicContact CB-CB 4.33Å; F31-A71 HydrophobicContact CD2-CB 3.32Å; F31-A71 HydrophobicContact CE2-CB 3.95Å; F31-A71 HydrophobicContact CG-CB 4.13Å
32	L	98.7	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.2	-179.7	173.2	60.4	0	0	0	109.1	L20 A21 F22 R44 A281 L289 L291	L20-L32 HydrophobicContact CB-CD1 4.14Å; L20-L32 HydrophobicContact CD1-CD1 4.12Å; A21-L32 WeakPolarHBondContact O-CD1 3.19Å; F22-L32 HydrophobicContact CD1-CB 3.91Å; F22-L32 HydrophobicContact CD1-CD1 4.07Å; F22-L32 HydrophobicContact CD1-CG 4.49Å; F22-L32 HydrophobicContact CD2-CD1 4.28Å; F22-L32 HydrophobicContact CE1-CB 3.78Å; F22-L32 HydrophobicContact CE1-CD1 3.94Å; F22-L32 HydrophobicContact CE1-CD2 4.1Å; F22-L32 HydrophobicContact CE1-CG 4.15Å; F22-L32 HydrophobicContact CE2-CD1 4.13Å; F22-L32 HydrophobicContact CG-CD1 4.27Å; F22-L32 HydrophobicContact CZ-CD1 3.98Å; F22-L32 HydrophobicContact CZ-CD2 4.16Å; F22-L32 HydrophobicContact CZ-CG 4.47Å; L32-R44 HydrophobicContact CB-CB 4.36Å; L32-R44 PolarHBondContact N-O 3.36Å; L32-R44 PolarHBondContact O-N 3.13Å; L32-A281 HydrophobicContact CD1-CB 4.32Å; L32-A281 HydrophobicContact CD2-CB 3.84Å; L32-L289 HydrophobicContact CD2-CD1 3.94Å; L32-L289 HydrophobicContact CD2-CD2 3.75Å; L32-L289 HydrophobicContact CD2-CG 4.48Å; L32-L289 HydrophobicContact CG-CD1 4.44Å; L32-L291 HydrophobicContact CD2-CD2 3.86Å
33	I	98.9	Very high	97.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	144.2	168.2	-166.1	168.3	0	0	0	110.3	L20 A21 M42 F55 A65 L67 A74 T76	L20-I33 VanDerWaalsContact CA-O 3.24Å; L20-I33 WeakPolarHBondContact CA-O 3.38Å; L20-I33 WeakPolarHBondContact CB-O 3.23Å; A21-I33 HydrophobicContact CB-CG2 3.99Å; A21-I33 PolarHBondContact N-O 3.3Å; A21-I33 PolarHBondContact O-N 3.37Å; I33-M42 WeakPolarHBondContact CA-O 3.49Å; I33-F55 HydrophobicContact CD1-CD2 4.15Å; I33-F55 HydrophobicContact CD1-CE2 3.68Å; I33-F55 HydrophobicContact CG1-CE2 4.4Å; I33-A65 HydrophobicContact CD1-CB 3.96Å; I33-A65 HydrophobicContact CG1-CB 3.91Å; I33-A65 HydrophobicContact CG2-CB 4.1Å; I33-L67 HydrophobicContact CB-CD1 4.02Å; I33-L67 HydrophobicContact CB-CG 3.93Å; I33-L67 HydrophobicContact CG2-CD1 4.16Å; I33-L67 HydrophobicContact CG2-CG 3.81Å; I33-A74 HydrophobicContact CD1-CB 3.74Å; I33-T76 HydrophobicContact CD1-CG2 4.41Å
34	S	98.7	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.5	179.8	44.4	0	0	0	0	111.3	H13 P41 M42	H13-S34 PolarHBondContact NE2-OG 2.95Å; S34-P41 CarbonylContact O-C 3.54Å; S34-P41 WeakPolarHBondContact O-CA 3.34Å; S34-P41 VanDerWaalsContact O-CB 3.29Å; S34-P41 WeakPolarHBondContact O-CB 3.38Å; S34-M42 PolarHBondContact N-O 3.36Å; S34-M42 PolarHBondContact O-N 3.14Å; S34-M42 VanDerWaalsContact O-N 3.12Å; S34-M42 PolarHBondContact OG-O 3.08Å
35	A	98.5	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.1	174.6	0	0	0	0	0	110.3	V17 V18 D19 V62 A65	V17-A35 WeakPolarHBondContact CA-O 3.47Å; V18-A35 HydrophobicContact CG2-CB 4.33Å; V18-A35 PolarHBondContact N-O 2.88Å; D19-A35 HydrophobicContact CB-CB 3.91Å; D19-A35 PolarHBondContact O-N 2.77Å; A35-V62 HydrophobicContact CB-CB 4.37Å; A35-V62 HydrophobicContact CB-CG1 3.86Å; A35-A65 HydrophobicContact CB-CB 3.86Å
36	C	97.9	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	149	-175.7	-179.2	0	0	0	0	112.5	H13 R15 P16 D38 G39 V62	H13-C36 HydrophobicContact CB-CB 4.38Å; H13-C36 WeakPolarHBondContact CE1-CB 3.27Å; H13-C36 WeakPolarHBondContact ND1-CB 3.14Å; R15-C36 VanDerWaalsContact C-SG 3.53Å; R15-C36 PolarHBondContact O-SG 3.32Å; P16-C36 WeakPolarHBondContact O-CA 3.29Å; P16-C36 PolarHBondContact O-SG 3.26Å; C36-D38 VanDerWaalsContact CB-OD1 3.3Å; C36-D38 WeakPolarHBondContact CB-OD1 3.33Å; C36-D38 PolarHBondContact O-N 3.12Å; C36-D38 VanDerWaalsContact O-N 3.13Å; C36-D38 PolarHBondContact SG-N 2.81Å; C36-D38 VanDerWaalsContact SG-N 3.36Å; C36-D38 PolarHBondContact SG-OD1 3Å; C36-D38 PolarHBondContact SG-OD2 3.46Å; C36-G39 PolarHBondContact O-N 2.97Å; C36-G39 VanDerWaalsContact O-N 3.14Å; C36-V62 CarbonylContact C-O 3.57Å; C36-V62 PolarHBondContact N-O 3.43Å; C36-V62 PolarHBondContact O-N 3.36Å
37	K	98.3	Very high	97.8	Very high	61 Å²	61	33.2 Å²	33.2	27%	0.265	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7	174	-64.9	-176.1	-167.5	160.1	0	113.9	R15 P16 V18 G39 A61 E285	R15-K37 HydrophobicContact CB-CB 3.99Å; R15-K37 WeakPolarHBondContact CD-O 3.21Å; P16-K37 HydrophobicContact CB-CD 3.82Å; P16-K37 HydrophobicContact CB-CG 4.21Å; P16-K37 HydrophobicContact CG-CD 3.92Å; P16-K37 PolarHBondContact O-N 3.33Å; V18-K37 HydrophobicContact CG1-CD 4.26Å; V18-K37 HydrophobicContact CG1-CG 3.88Å; K37-G39 VanDerWaalsContact C-N 3.26Å; K37-A61 HydrophobicContact CB-CB 4.13Å; K37-A61 HydrophobicContact CG-CB 4.29Å; K37-E285 IonicContact NZ-OE1 3.39Å; K37-E285 IonicContact NZ-OE2 2.79Å; K37-E285 PolarHBondContact NZ-OE2 2.97Å
38	D	97.5	Very high	97.8	Very high	28 Å²	28	28 Å²	28	15%	0.15	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.7	172.2	64.9	13.4	0	0	0	113.9	H13 T14 R15 C36 K40	H13-D38 WeakPolarHBondContact CA-OD2 3.43Å; H13-D38 IonicContact ND1-OD1 3.99Å; H13-D38 IonicContact ND1-OD2 2.79Å; H13-D38 PolarHBondContact ND1-OD2 2.92Å; T14-D38 PolarHBondContact N-OD2 2.74Å; T14-D38 WeakPolarHBondContact OG1-CB 3.44Å; T14-D38 PolarHBondContact OG1-OD2 2.65Å; R15-D38 HydrophobicContact CB-CB 3.93Å; R15-D38 HydrophobicContact CG-CB 4.05Å; C36-D38 VanDerWaalsContact CB-OD1 3.3Å; C36-D38 WeakPolarHBondContact CB-OD1 3.33Å; C36-D38 PolarHBondContact O-N 3.12Å; C36-D38 VanDerWaalsContact O-N 3.13Å; C36-D38 PolarHBondContact SG-N 2.81Å; C36-D38 VanDerWaalsContact SG-N 3.36Å; C36-D38 PolarHBondContact SG-OD1 3Å; C36-D38 PolarHBondContact SG-OD2 3.46Å; D38-K40 VanDerWaalsContact C-N 3.3Å; D38-K40 WeakPolarHBondContact OD1-CB 3.47Å; D38-K40 PolarHBondContact OD1-N 2.86Å
39	G	97.6	Very high	97.9	Very high	7 Å²	7	19.2 Å²	19.2	7%	0.072	10%	0.101	C	C	.	.	S	Bend	trans	80.5	9	178.4	0	0	0	0	0	114.2	C36 K37 P41 G60	C36-G39 PolarHBondContact O-N 2.97Å; C36-G39 VanDerWaalsContact O-N 3.14Å; K37-G39 VanDerWaalsContact C-N 3.26Å; G39-P41 WeakPolarHBondContact O-CD 3.45Å; G39-G60 WeakPolarHBondContact CA-O 3.39Å
40	K	97.8	Very high	97.9	Very high	103 Å²	103	22.1 Å²	22.1	45%	0.448	11%	0.11	S	C	.	.			trans	-122.3	79.7	-173.4	-65.4	-178.6	-177.9	-179.9	0	111.2	H13 D38 T54 L56	H13-K40 PolarHBondContact CE1-O 3.34Å; D38-K40 VanDerWaalsContact C-N 3.3Å; D38-K40 WeakPolarHBondContact OD1-CB 3.47Å; D38-K40 PolarHBondContact OD1-N 2.86Å; K40-T54 HydrophobicContact CB-CG2 3.74Å; K40-T54 HydrophobicContact CG-CG2 4.38Å; K40-L56 HydrophobicContact CG-CD2 4.35Å
41	P	98.2	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.137	C	C	.	.			trans	-64	138.5	177	22.7	-24.9	0	0	0	110.5	S34 G39 T54 F55 V62 T76	S34-P41 CarbonylContact O-C 3.54Å; S34-P41 WeakPolarHBondContact O-CA 3.34Å; S34-P41 VanDerWaalsContact O-CB 3.29Å; S34-P41 WeakPolarHBondContact O-CB 3.38Å; G39-P41 WeakPolarHBondContact O-CD 3.45Å; P41-T54 WeakPolarHBondContact O-CA 3.39Å; P41-F55 HydrophobicContact CG-CB 4.19Å; P41-F55 PolarHBondContact O-N 3.41Å; P41-V62 HydrophobicContact CB-CG1 4.35Å; P41-V62 HydrophobicContact CG-CG1 4.29Å; P41-V62 HydrophobicContact CG-CG2 4Å; P41-T76 HydrophobicContact CB-CG2 3.95Å; P41-T76 HydrophobicContact CG-CG2 3.66Å
42	M	98.6	Very high	97.8	Very high	13 Å²	13	31.4 Å²	31.4	6%	0.064	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.3	-172.4	-64.4	-173	177.6	0	0	111.3	G12 I33 S34 G53 T54	G12-M42 VanDerWaalsContact C-CE 3.43Å; G12-M42 VanDerWaalsContact O-CE 3.31Å; G12-M42 WeakPolarHBondContact O-CE 3.48Å; I33-M42 WeakPolarHBondContact CA-O 3.49Å; S34-M42 PolarHBondContact N-O 3.36Å; S34-M42 PolarHBondContact O-N 3.14Å; S34-M42 VanDerWaalsContact O-N 3.12Å; S34-M42 PolarHBondContact OG-O 3.08Å; M42-G53 WeakPolarHBondContact CA-O 3.31Å; M42-T54 HydrophobicContact CG-CG2 4.36Å
43	L	98.7	Very high	97.8	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.052	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.9	170.8	-175.8	63.1	0	0	0	109.7	F31 I52 G53 F55 L67 A88	F31-L43 HydrophobicContact CB-CD1 4.03Å; L43-I52 HydrophobicContact CD2-CB 4.5Å; L43-I52 HydrophobicContact CD2-CG2 4.19Å; L43-I52 HydrophobicContact CG-CB 4.3Å; L43-I52 HydrophobicContact CG-CD1 4.39Å; L43-I52 PolarHBondContact O-N 3.17Å; L43-G53 PolarHBondContact N-O 2.84Å; L43-G53 PolarHBondContact O-N 2.9Å; L43-F55 HydrophobicContact CB-CE2 4.02Å; L43-F55 HydrophobicContact CB-CZ 4.28Å; L43-F55 HydrophobicContact CD2-CZ 4.35Å; L43-L67 HydrophobicContact CD1-CD1 3.81Å; L43-L67 HydrophobicContact CD1-CD2 4.03Å; L43-L67 HydrophobicContact CD1-CG 4.5Å; L43-A88 HydrophobicContact CD2-CB 4.45Å; L43-A88 WeakPolarHBondContact CD2-O 3.32Å
44	R	98.6	Very high	97.8	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.6	-177.4	-63.5	177.5	180	-80	-7.1	111.7	S11 F31 L32 G46 G49 D50	S11-R44 PolarHBondContact O-NH1 3.34Å; S11-R44 PolarHBondContact O-NH2 3.41Å; F31-R44 WeakPolarHBondContact CA-O 3.41Å; L32-R44 HydrophobicContact CB-CB 4.36Å; L32-R44 PolarHBondContact N-O 3.36Å; L32-R44 PolarHBondContact O-N 3.13Å; R44-G46 PolarHBondContact O-N 2.99Å; R44-G49 PolarHBondContact NH1-O 3.04Å; R44-D50 CarbonylContact C-O 3.59Å; R44-D50 WeakPolarHBondContact CA-O 3.3Å; R44-D50 VanDerWaalsContact CB-O 3.29Å; R44-D50 WeakPolarHBondContact CB-O 3.47Å
45	Q	98.1	Very high	97.7	Very high	42 Å²	42	34.5 Å²	34.5	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.9	164.7	-176.1	60.2	32.9	0	0	108.5	D47 T48 G49 D50 I52	Q45-D47 WeakPolarHBondContact CG-OD1 3.44Å; Q45-D47 PolarHBondContact NE2-OD1 3.46Å; Q45-T48 WeakPolarHBondContact CB-OG1 3.35Å; Q45-T48 WeakPolarHBondContact CG-OG1 3.31Å; Q45-G49 WeakPolarHBondContact O-CA 3.43Å; Q45-G49 PolarHBondContact O-N 2.81Å; Q45-D50 HydrophobicContact CB-CB 4.16Å; Q45-D50 PolarHBondContact N-O 3.12Å; Q45-I52 HydrophobicContact CB-CD1 4.27Å
46	G	97.3	Very high	97.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-33.4	-165.4	0	0	0	0	0	114.8	Y30 R44	Y30-G46 VanDerWaalsContact CE2-CA 3.48Å; Y30-G46 WeakPolarHBondContact CE2-O 3.43Å; Y30-G46 VanDerWaalsContact O-CA 3.22Å; Y30-G46 WeakPolarHBondContact O-CA 3.38Å; Y30-G46 PolarHBondContact O-N 2.99Å; R44-G46 PolarHBondContact O-N 2.99Å
47	D	96.2	Very high	97.6	Very high	43 Å²	43	42 Å²	42	23%	0.23	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-27.8	-177	61.2	-38.6	0	0	0	113.3	Y30 Q45 Y300	Y30-D47 HydrophobicContact CE1-CB 4.31Å; Y30-D47 WeakPolarHBondContact OH-CA 3.46Å; Q45-D47 WeakPolarHBondContact CG-OD1 3.44Å; Q45-D47 PolarHBondContact NE2-OD1 3.46Å; D47-Y300 HydrophobicContact CB-CE1 4.05Å
48	T	96.4	Very high	97.6	Very high	20 Å²	20	40.1 Å²	40.1	12%	0.123	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-25.2	-179.9	66.1	0	0	0	0	113.8	Q45 D50 L302	Q45-T48 WeakPolarHBondContact CB-OG1 3.35Å; Q45-T48 WeakPolarHBondContact CG-OG1 3.31Å; T48-D50 VanDerWaalsContact CB-OD2 3.26Å; T48-D50 WeakPolarHBondContact CB-OD2 3.45Å; T48-D50 WeakPolarHBondContact OG1-CB 3.22Å; T48-D50 PolarHBondContact OG1-N 3.06Å; T48-D50 PolarHBondContact OG1-OD2 2.67Å; T48-L302 HydrophobicContact CG2-CD2 3.93Å; T48-L302 HydrophobicContact CG2-CG 3.97Å
49	G	96.7	Very high	97.7	Very high	5 Å²	5	48.2 Å²	48.2	5%	0.052	25%	0.246	C	C	.	.			trans	77.3	8.8	-173.6	0	0	0	0	0	114.1	C10 R44 Q45	C10-G49 VanDerWaalsContact SG-CA 3.58Å; R44-G49 PolarHBondContact NH1-O 3.04Å; Q45-G49 WeakPolarHBondContact O-CA 3.43Å; Q45-G49 PolarHBondContact O-N 2.81Å
50	D	96.8	Very high	97.7	Very high	88 Å²	88	48.8 Å²	48.8	47%	0.471	25%	0.252	S	S	.	.			trans	-60.5	137.8	178.6	-67.7	-39.1	0	0	0	110.4	R44 Q45 T48 I52	R44-D50 CarbonylContact C-O 3.59Å; R44-D50 WeakPolarHBondContact CA-O 3.3Å; R44-D50 VanDerWaalsContact CB-O 3.29Å; R44-D50 WeakPolarHBondContact CB-O 3.47Å; Q45-D50 HydrophobicContact CB-CB 4.16Å; Q45-D50 PolarHBondContact N-O 3.12Å; T48-D50 VanDerWaalsContact CB-OD2 3.26Å; T48-D50 WeakPolarHBondContact CB-OD2 3.45Å; T48-D50 WeakPolarHBondContact OG1-CB 3.22Å; T48-D50 PolarHBondContact OG1-N 3.06Å; T48-D50 PolarHBondContact OG1-OD2 2.67Å; D50-I52 PolarHBondContact O-N 3.32Å
51	W	97.6	Very high	97.7	Very high	155 Å²	155	44.9 Å²	44.9	59%	0.587	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.5	178	171.7	76.6	0	0	0	110.4	G53 T54	W51-G53 VanDerWaalsContact NE1-C 3.28Å; W51-G53 PolarHBondContact NE1-O 3.1Å; W51-T54 PolarHBondContact NE1-OG1 3.2Å; W51-T54 VanDerWaalsContact NE1-OG1 3.09Å
52	I	97.7	Very high	97.7	Very high	80 Å²	80	44.9 Å²	44.9	41%	0.41	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-47.4	175.4	-63	174.5	0	0	0	109.7	F31 L43 Q45 D50	F31-I52 HydrophobicContact CD1-CD1 3.46Å; F31-I52 VanDerWaalsContact CD1-CD1 3.46Å; F31-I52 HydrophobicContact CE1-CD1 3.56Å; L43-I52 HydrophobicContact CD2-CB 4.5Å; L43-I52 HydrophobicContact CD2-CG2 4.19Å; L43-I52 HydrophobicContact CG-CB 4.3Å; L43-I52 HydrophobicContact CG-CD1 4.39Å; L43-I52 PolarHBondContact O-N 3.17Å; Q45-I52 HydrophobicContact CB-CD1 4.27Å; D50-I52 PolarHBondContact O-N 3.32Å
53	G	97.8	Very high	97.7	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	-169.9	171.6	-174.1	0	0	0	0	0	113.9	M42 L43 W51	M42-G53 WeakPolarHBondContact CA-O 3.31Å; L43-G53 PolarHBondContact N-O 2.84Å; L43-G53 PolarHBondContact O-N 2.9Å; W51-G53 VanDerWaalsContact NE1-C 3.28Å; W51-G53 PolarHBondContact NE1-O 3.1Å
54	T	98.3	Very high	97.7	Very high	39 Å²	39	47.4 Å²	47.4	24%	0.239	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.8	177.9	-61	0	0	0	0	108.6	K40 P41 M42 W51 L56	K40-T54 HydrophobicContact CB-CG2 3.74Å; K40-T54 HydrophobicContact CG-CG2 4.38Å; P41-T54 WeakPolarHBondContact O-CA 3.39Å; M42-T54 HydrophobicContact CG-CG2 4.36Å; W51-T54 PolarHBondContact NE1-OG1 3.2Å; W51-T54 VanDerWaalsContact NE1-OG1 3.09Å; T54-L56 HydrophobicContact CG2-CD2 3.81Å; T54-L56 HydrophobicContact CG2-CG 4.39Å; T54-L56 PolarHBondContact O-N 2.84Å
55	F	98.3	Very high	97.7	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.026	25%	0.246	C	C	.	.			trans	-80.5	111.3	176.4	-56.2	-75.8	0	0	0	109.2	I33 P41 L43 A74 W86 A88	I33-F55 HydrophobicContact CD1-CD2 4.15Å; I33-F55 HydrophobicContact CD1-CE2 3.68Å; I33-F55 HydrophobicContact CG1-CE2 4.4Å; P41-F55 HydrophobicContact CG-CB 4.19Å; P41-F55 PolarHBondContact O-N 3.41Å; L43-F55 HydrophobicContact CB-CE2 4.02Å; L43-F55 HydrophobicContact CB-CZ 4.28Å; L43-F55 HydrophobicContact CD2-CZ 4.35Å; F55-A74 HydrophobicContact CE1-CB 4.28Å; F55-A74 HydrophobicContact CE2-CB 3.85Å; F55-A74 HydrophobicContact CZ-CB 3.64Å; F55-W86 HydrophobicContact CB-CD2 3.72Å; F55-W86 HydrophobicContact CB-CE3 3.83Å; F55-W86 HydrophobicContact CB-CG 4.3Å; F55-W86 HydrophobicContact CB-CH2 4.01Å; F55-W86 HydrophobicContact CB-CZ2 3.89Å; F55-W86 HydrophobicContact CB-CZ3 3.98Å; F55-W86 HydrophobicContact CD1-CB 3.6Å; F55-W86 AromaticContact CD1-CD2 3.7Å; F55-W86 HydrophobicContact CD1-CD2 3.7Å; F55-W86 AromaticContact CD1-CE3 3.85Å; F55-W86 HydrophobicContact CD1-CE3 3.85Å; F55-W86 AromaticContact CD1-CG 3.6Å; F55-W86 HydrophobicContact CD1-CG 3.6Å; F55-W86 HydrophobicContact CE1-CB 3.61Å; F55-W86 HydrophobicContact CE1-CG 4.06Å; F55-W86 HydrophobicContact CG-CB 4.43Å; F55-W86 AromaticContact CG-CD2 3.92Å; F55-W86 HydrophobicContact CG-CD2 3.92Å; F55-W86 HydrophobicContact CG-CE3 4.24Å; F55-W86 AromaticContact CG-CG 3.99Å; F55-W86 HydrophobicContact CG-CG 3.99Å; F55-W86 HydrophobicContact CZ-CB 4.45Å; F55-A88 HydrophobicContact CZ-CB 4.37Å
56	L	97.6	Very high	97.8	Very high	122 Å²	122	45.9 Å²	45.9	64%	0.639	24%	0.241	S	C	*	.			trans	-100.9	121.9	-176	-62.8	176	0	0	0	110	K40 T54	K40-L56 HydrophobicContact CG-CD2 4.35Å; T54-L56 HydrophobicContact CG2-CD2 3.81Å; T54-L56 HydrophobicContact CG2-CG 4.39Å; T54-L56 PolarHBondContact O-N 2.84Å
57	G	96.6	Very high	97.8	Very high	36 Å²	36	46.4 Å²	46.4	37%	0.371	24%	0.244	S	C	.	.			trans	167	-24.3	174.9	0	0	0	0	0	114.7
58	H	98.4	Very high	97.9	Very high	20 Å²	20	44.6 Å²	44.6	9%	0.093	23%	0.234	C	C	.	.			trans	-70	144.1	175.1	-79.2	-59.5	0	0	0	112.7	V62 T76 A78 D80 T82	H58-V62 HydrophobicContact CB-CG2 4.04Å; H58-T76 PolarHBondContact CD2-OG1 2.87Å; H58-T76 PolarHBondContact NE2-OG1 2.7Å; H58-A78 HydrophobicContact CB-CB 4.33Å; H58-A78 WeakPolarHBondContact CE1-CB 3.23Å; H58-A78 WeakPolarHBondContact ND1-CB 3.48Å; H58-D80 WeakPolarHBondContact CA-OD2 3.37Å; H58-D80 WeakPolarHBondContact CB-OD2 3.2Å; H58-D80 IonicContact CE1-OD1 3.49Å; H58-D80 IonicContact CG-OD2 2.68Å; H58-D80 IonicContact ND1-OD1 3.73Å; H58-D80 PolarHBondContact ND1-OD1 3.27Å; H58-D80 IonicContact ND1-OD2 3.19Å; H58-D80 PolarHBondContact ND1-OD2 3.44Å; H58-T82 PolarHBondContact CE1-OG1 2.93Å; H58-T82 VanDerWaalsContact CE1-OG1 3.3Å; H58-T82 PolarHBondContact ND1-OG1 2.83Å
59	K	97.7	Very high	97.9	Very high	198 Å²	198	49.4 Å²	49.4	86%	0.861	25%	0.254	S	S	*	.	S	Bend	trans	-105.1	5	179.7	-61.8	-179.7	-177.1	174.6	0	113.4	D80	K59-D80 HydrophobicContact CB-CB 4.01Å; K59-D80 PolarHBondContact N-OD2 2.75Å
60	G	97.9	Very high	97.9	Very high	20 Å²	20	54 Å²	54	21%	0.206	28%	0.277	C	S	.	.	S	Bend	trans	-150.7	177.8	-179.3	0	0	0	0	0	111.5	G39 V62	G39-G60 WeakPolarHBondContact CA-O 3.39Å; G60-V62 PolarHBondContact O-N 3.09Å
61	A	98.6	Very high	98	Very high	20 Å²	20	50.4 Å²	50.4	17%	0.165	26%	0.259	C	S	.	.			trans	-52.2	130.6	177.2	0	0	0	0	0	111.6	K37 A78 A79	K37-A61 HydrophobicContact CB-CB 4.13Å; K37-A61 HydrophobicContact CG-CB 4.29Å; A61-A78 CarbonylContact O-C 3.22Å; A61-A78 VanDerWaalsContact O-CA 3.29Å; A61-A78 WeakPolarHBondContact O-CA 3.32Å; A61-A78 WeakPolarHBondContact O-CB 3.39Å; A61-A79 HydrophobicContact CB-CB 4.19Å; A61-A79 WeakPolarHBondContact O-CB 3.45Å; A61-A79 PolarHBondContact O-N 3.07Å
62	V	98.8	Very high	98	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.1	170.2	-176.2	0	0	0	0	108	V18 A35 C36 P41 H58 G60 G64 T76 A77 A78	V18-V62 VanDerWaalsContact CG2-O 3.29Å; V18-V62 WeakPolarHBondContact CG2-O 3.31Å; A35-V62 HydrophobicContact CB-CB 4.37Å; A35-V62 HydrophobicContact CB-CG1 3.86Å; C36-V62 CarbonylContact C-O 3.57Å; C36-V62 PolarHBondContact N-O 3.43Å; C36-V62 PolarHBondContact O-N 3.36Å; P41-V62 HydrophobicContact CB-CG1 4.35Å; P41-V62 HydrophobicContact CG-CG1 4.29Å; P41-V62 HydrophobicContact CG-CG2 4Å; H58-V62 HydrophobicContact CB-CG2 4.04Å; G60-V62 PolarHBondContact O-N 3.09Å; V62-G64 WeakPolarHBondContact CG1-O 3.33Å; V62-T76 HydrophobicContact CG1-CG2 4.42Å; V62-A77 CarbonylContact C-O 3.54Å; V62-A77 WeakPolarHBondContact CG1-O 3.29Å; V62-A78 HydrophobicContact CG2-CB 4.13Å
63	W	98.7	Very high	98	Very high	76 Å²	76	44.8 Å²	44.8	29%	0.288	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-29.7	-174.8	-72.4	102.3	0	0	0	113.2	V18 D19 A77 K104	V18-W63 HydrophobicContact CG2-CE3 4.33Å; D19-W63 VanDerWaalsContact CB-O 3.32Å; D19-W63 WeakPolarHBondContact CB-O 3.12Å; W63-A77 PolarHBondContact N-O 2.81Å; W63-K104 HydrophobicContact CB-CB 4.39Å; W63-K104 HydrophobicContact CB-CG 4.24Å; W63-K104 HydrophobicContact CG-CG 4.29Å
64	G	98.4	Very high	98.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.3	178.9	0	0	0	0	0	111	D19 V62 T76 A77 K104	D19-G64 WeakPolarHBondContact OD2-CA 3.29Å; V62-G64 WeakPolarHBondContact CG1-O 3.33Å; G64-T76 CarbonylContact O-C 3.52Å; G64-T76 WeakPolarHBondContact O-CA 3.35Å; G64-A77 PolarHBondContact N-O 2.98Å; G64-A77 PolarHBondContact O-N 3.48Å; G64-K104 WeakPolarHBondContact CA-O 3.22Å; G64-K104 PolarHBondContact N-O 3.22Å
65	A	98.7	Very high	98.1	Very high	1 Å²	1	42 Å²	42	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	142.4	174.2	0	0	0	0	0	110.3	D19 A21 I33 A35 A75 T76	D19-A65 PolarHBondContact OD2-N 3.2Å; A21-A65 WeakPolarHBondContact CB-O 3.21Å; I33-A65 HydrophobicContact CD1-CB 3.96Å; I33-A65 HydrophobicContact CG1-CB 3.91Å; I33-A65 HydrophobicContact CG2-CB 4.1Å; A35-A65 HydrophobicContact CB-CB 3.86Å; A65-A75 CarbonylContact C-O 3.46Å; A65-A75 VanDerWaalsContact CA-O 3.29Å; A65-A75 WeakPolarHBondContact CA-O 3.39Å; A65-T76 HydrophobicContact CB-CG2 4.16Å
66	T	98.8	Very high	98.1	Very high	15 Å²	15	41.7 Å²	41.7	9%	0.092	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.3	177.9	-168.3	0	0	0	0	110.9	A74 A75 V106 F108	T66-A74 CarbonylContact O-C 3.53Å; T66-A74 WeakPolarHBondContact O-CA 3.41Å; T66-A75 HydrophobicContact CG2-CB 3.95Å; T66-A75 PolarHBondContact N-O 2.92Å; T66-A75 PolarHBondContact O-N 2.91Å; T66-V106 HydrophobicContact CG2-CB 4.37Å; T66-V106 HydrophobicContact CG2-CG2 4.15Å; T66-F108 HydrophobicContact CG2-CD2 3.75Å; T66-F108 HydrophobicContact CG2-CE2 3.94Å
67	L	98.7	Very high	98.2	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.052	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.6	169.1	-72.7	166	0	0	0	108	F31 I33 L43 K73 A74 A88	F31-L67 HydrophobicContact CB-CD1 3.86Å; I33-L67 HydrophobicContact CB-CD1 4.02Å; I33-L67 HydrophobicContact CB-CG 3.93Å; I33-L67 HydrophobicContact CG2-CD1 4.16Å; I33-L67 HydrophobicContact CG2-CG 3.81Å; L43-L67 HydrophobicContact CD1-CD1 3.81Å; L43-L67 HydrophobicContact CD1-CD2 4.03Å; L43-L67 HydrophobicContact CD1-CG 4.5Å; L67-K73 WeakPolarHBondContact CA-O 3.11Å; L67-A74 HydrophobicContact CD2-CB 3.83Å; L67-A88 HydrophobicContact CD2-CB 4.15Å
68	N	98	Very high	98.3	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.032	17%	0.17	C	C	.	.			trans	-69.7	167.4	166	74.6	-25.7	0	0	0	110.8	D70 A71 T72 K73 F108 S112	N68-D70 PolarHBondContact O-N 3.02Å; N68-D70 VanDerWaalsContact O-N 3.15Å; N68-A71 PolarHBondContact O-N 3Å; N68-A71 WeakPolarHBondContact OD1-CA 3.39Å; N68-A71 PolarHBondContact OD1-N 2.83Å; N68-T72 PolarHBondContact ND2-OG1 2.85Å; N68-T72 PolarHBondContact OD1-N 3.24Å; N68-K73 HydrophobicContact CB-CB 4.45Å; N68-K73 PolarHBondContact N-O 3.12Å; N68-K73 PolarHBondContact OD1-N 3.1Å; N68-K73 PolarHBondContact OD1-O 2.84Å; N68-F108 HydrophobicContact CB-CB 4.49Å; N68-F108 HydrophobicContact CB-CD2 3.95Å; N68-F108 HydrophobicContact CB-CE2 4.35Å; N68-F108 HydrophobicContact CB-CG 4.22Å; N68-S112 VanDerWaalsContact CB-OG 3.28Å; N68-S112 WeakPolarHBondContact CB-OG 3.44Å; N68-S112 PolarHBondContact ND2-OG 3.34Å; N68-S112 VanDerWaalsContact ND2-OG 3.11Å
69	K	95.8	Very high	98.3	Very high	121 Å²	121	34.5 Å²	34.5	53%	0.526	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-40.5	-175.9	-173.8	173.1	-179.3	170.7	0	113.1	G24 A71 Q110	G24-K69 VanDerWaalsContact CA-O 3.25Å; G24-K69 WeakPolarHBondContact CA-O 3.2Å; G24-K69 PolarHBondContact N-O 2.9Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-Q110 HydrophobicContact CD-CG 4.49Å
70	D	97.1	Very high	98.3	Very high	102 Å²	102	27 Å²	27	55%	0.545	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	3.3	-176.5	-55.8	-45.2	0	0	0	114	N68 T72	N68-D70 PolarHBondContact O-N 3.02Å; N68-D70 VanDerWaalsContact O-N 3.15Å; D70-T72 HydrophobicContact CB-CG2 4.15Å; D70-T72 PolarHBondContact O-N 2.97Å; D70-T72 VanDerWaalsContact O-N 3.13Å
71	A	97.9	Very high	98.4	Very high	11 Å²	11	30.2 Å²	30.2	9%	0.091	15%	0.154	C	C	.	.	S	Bend	trans	55.3	24.7	-176.4	0	0	0	0	0	115	T26 F31 N68 K69 A88	T26-A71 HydrophobicContact CG2-CB 4.02Å; F31-A71 HydrophobicContact CB-CB 4.33Å; F31-A71 HydrophobicContact CD2-CB 3.32Å; F31-A71 HydrophobicContact CE2-CB 3.95Å; F31-A71 HydrophobicContact CG-CB 4.13Å; N68-A71 PolarHBondContact O-N 3Å; N68-A71 WeakPolarHBondContact OD1-CA 3.39Å; N68-A71 PolarHBondContact OD1-N 2.83Å; K69-A71 VanDerWaalsContact C-N 3.33Å; A71-A88 WeakPolarHBondContact O-CB 3.3Å
72	T	97.9	Very high	98.4	Very high	60 Å²	60	30.2 Å²	30.2	37%	0.368	15%	0.153	S	C	.	.	S	Bend	trans	-92.5	-22.4	178.7	54.3	0	0	0	0	112.7	N68 D70 A88	N68-T72 PolarHBondContact ND2-OG1 2.85Å; N68-T72 PolarHBondContact OD1-N 3.24Å; D70-T72 HydrophobicContact CB-CG2 4.15Å; D70-T72 PolarHBondContact O-N 2.97Å; D70-T72 VanDerWaalsContact O-N 3.13Å; T72-A88 PolarHBondContact O-N 2.9Å
73	K	98.5	Very high	98.4	Very high	57 Å²	57	30.2 Å²	30.2	25%	0.248	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144	176	-64.8	-178.4	-176.1	173.8	0	110.6	L67 N68 W86 F108	L67-K73 WeakPolarHBondContact CA-O 3.11Å; N68-K73 HydrophobicContact CB-CB 4.45Å; N68-K73 PolarHBondContact N-O 3.12Å; N68-K73 PolarHBondContact OD1-N 3.1Å; N68-K73 PolarHBondContact OD1-O 2.84Å; K73-W86 VanDerWaalsContact CA-O 3.31Å; K73-W86 WeakPolarHBondContact CA-O 3.35Å; K73-F108 HydrophobicContact CB-CE1 4.49Å; K73-F108 HydrophobicContact CB-CE2 4.42Å; K73-F108 HydrophobicContact CB-CZ 3.94Å
74	A	98.8	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	152.1	167.5	0	0	0	0	0	110	I33 F55 T66 L67 V85 W86 A88	I33-A74 HydrophobicContact CD1-CB 3.74Å; F55-A74 HydrophobicContact CE1-CB 4.28Å; F55-A74 HydrophobicContact CE2-CB 3.85Å; F55-A74 HydrophobicContact CZ-CB 3.64Å; T66-A74 CarbonylContact O-C 3.53Å; T66-A74 WeakPolarHBondContact O-CA 3.41Å; L67-A74 HydrophobicContact CD2-CB 3.83Å; A74-V85 CarbonylContact O-C 3.58Å; A74-V85 WeakPolarHBondContact O-CA 3.44Å; A74-W86 HydrophobicContact CB-CB 4.23Å; A74-W86 PolarHBondContact N-O 2.85Å; A74-W86 PolarHBondContact O-N 3.13Å; A74-A88 HydrophobicContact CB-CB 4.39Å
75	A	98.9	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.5	167.1	0	0	0	0	0	110.6	A65 T66 K84 V106 F108 L115	A65-A75 CarbonylContact C-O 3.46Å; A65-A75 VanDerWaalsContact CA-O 3.29Å; A65-A75 WeakPolarHBondContact CA-O 3.39Å; T66-A75 HydrophobicContact CG2-CB 3.95Å; T66-A75 PolarHBondContact N-O 2.92Å; T66-A75 PolarHBondContact O-N 2.91Å; A75-K84 CarbonylContact C-O 3.59Å; A75-K84 VanDerWaalsContact CA-O 3.22Å; A75-K84 WeakPolarHBondContact CA-O 3.31Å; A75-V106 HydrophobicContact CB-CB 4.03Å; A75-V106 HydrophobicContact CB-CG1 4.28Å; A75-V106 HydrophobicContact CB-CG2 4.24Å; A75-F108 HydrophobicContact CB-CD2 4.46Å; A75-F108 HydrophobicContact CB-CE1 4.37Å; A75-F108 HydrophobicContact CB-CE2 3.58Å; A75-F108 HydrophobicContact CB-CZ 3.53Å; A75-L115 HydrophobicContact CB-CD1 3.53Å; A75-L115 HydrophobicContact CB-CD2 4.26Å
76	T	98.9	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.1	-177.4	56.5	0	0	0	0	110.8	I33 P41 H58 V62 G64 A65 A83 K84 W86	I33-T76 HydrophobicContact CD1-CG2 4.41Å; P41-T76 HydrophobicContact CB-CG2 3.95Å; P41-T76 HydrophobicContact CG-CG2 3.66Å; H58-T76 PolarHBondContact CD2-OG1 2.87Å; H58-T76 PolarHBondContact NE2-OG1 2.7Å; V62-T76 HydrophobicContact CG1-CG2 4.42Å; G64-T76 CarbonylContact O-C 3.52Å; G64-T76 WeakPolarHBondContact O-CA 3.35Å; A65-T76 HydrophobicContact CB-CG2 4.16Å; T76-A83 CarbonylContact O-C 3.53Å; T76-A83 WeakPolarHBondContact O-CA 3.32Å; T76-K84 PolarHBondContact N-O 2.91Å; T76-K84 PolarHBondContact O-N 3Å; T76-W86 PolarHBondContact OG1-NE1 3.17Å
77	A	98.8	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.4	-179.8	0	0	0	0	0	110.3	V62 W63 G64 V103 V106	V62-A77 CarbonylContact C-O 3.54Å; V62-A77 WeakPolarHBondContact CG1-O 3.29Å; W63-A77 PolarHBondContact N-O 2.81Å; G64-A77 PolarHBondContact N-O 2.98Å; G64-A77 PolarHBondContact O-N 3.48Å; A77-V103 CarbonylContact C-O 3.53Å; A77-V103 HydrophobicContact CB-CB 3.89Å; A77-V103 HydrophobicContact CB-CG1 3.66Å; A77-V106 HydrophobicContact CB-CG1 3.89Å; A77-V106 HydrophobicContact CB-CG2 4.09Å
78	A	98.8	Very high	98.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	167	-168.9	0	0	0	0	0	116.4	H58 A61 V62 D80 F81 T82 V103	H58-A78 HydrophobicContact CB-CB 4.33Å; H58-A78 WeakPolarHBondContact CE1-CB 3.23Å; H58-A78 WeakPolarHBondContact ND1-CB 3.48Å; A61-A78 CarbonylContact O-C 3.22Å; A61-A78 VanDerWaalsContact O-CA 3.29Å; A61-A78 WeakPolarHBondContact O-CA 3.32Å; A61-A78 WeakPolarHBondContact O-CB 3.39Å; V62-A78 HydrophobicContact CG2-CB 4.13Å; A78-D80 WeakPolarHBondContact CB-OD1 3.14Å; A78-D80 PolarHBondContact O-N 3.37Å; A78-F81 PolarHBondContact O-N 3.28Å; A78-T82 PolarHBondContact N-O 3.02Å; A78-V103 PolarHBondContact N-O 3.44Å; A78-V103 PolarHBondContact O-N 3.42Å
79	A	98.6	Very high	98.3	Very high	28 Å²	28	34.3 Å²	34.3	23%	0.231	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.2	177.6	0	0	0	0	0	114.4	A61 F81 I102	A61-A79 HydrophobicContact CB-CB 4.19Å; A61-A79 WeakPolarHBondContact O-CB 3.45Å; A61-A79 PolarHBondContact O-N 3.07Å; A79-F81 WeakPolarHBondContact O-CD1 3.4Å; A79-F81 WeakPolarHBondContact O-CE1 3.29Å; A79-F81 PolarHBondContact O-N 2.79Å; A79-I102 HydrophobicContact CB-CD1 4.42Å; A79-I102 HydrophobicContact CB-CG1 4.32Å; A79-I102 HydrophobicContact CB-CG2 4.39Å
80	D	98.5	Very high	98.4	Very high	39 Å²	39	31.8 Å²	31.8	21%	0.209	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	11.8	172.7	64.1	9.3	0	0	0	113.3	H58 K59 A78 T82	H58-D80 WeakPolarHBondContact CA-OD2 3.37Å; H58-D80 WeakPolarHBondContact CB-OD2 3.2Å; H58-D80 IonicContact CE1-OD1 3.49Å; H58-D80 IonicContact CG-OD2 2.68Å; H58-D80 IonicContact ND1-OD1 3.73Å; H58-D80 PolarHBondContact ND1-OD1 3.27Å; H58-D80 IonicContact ND1-OD2 3.19Å; H58-D80 PolarHBondContact ND1-OD2 3.44Å; K59-D80 HydrophobicContact CB-CB 4.01Å; K59-D80 PolarHBondContact N-OD2 2.75Å; A78-D80 WeakPolarHBondContact CB-OD1 3.14Å; A78-D80 PolarHBondContact O-N 3.37Å; D80-T82 VanDerWaalsContact CG-OG1 3.3Å; D80-T82 PolarHBondContact O-N 2.99Å; D80-T82 PolarHBondContact OD1-N 3.26Å; D80-T82 PolarHBondContact OD1-OG1 2.91Å; D80-T82 PolarHBondContact OD2-OG1 2.89Å
81	F	98.6	Very high	98.4	Very high	88 Å²	88	28.5 Å²	28.5	39%	0.386	17%	0.171	S	C	.	.	S	Bend	trans	66.2	26.1	178.7	-46.7	-15.4	0	0	0	112.7	A78 A79 H99 I102	A78-F81 PolarHBondContact O-N 3.28Å; A79-F81 WeakPolarHBondContact O-CD1 3.4Å; A79-F81 WeakPolarHBondContact O-CE1 3.29Å; A79-F81 PolarHBondContact O-N 2.79Å; F81-H99 WeakPolarHBondContact O-CB 3.35Å; F81-H99 PolarHBondContact O-N 2.85Å; F81-I102 HydrophobicContact CD1-CB 4.44Å; F81-I102 HydrophobicContact CD1-CG1 3.93Å; F81-I102 HydrophobicContact CE1-CG1 3.61Å
82	T	98.7	Very high	98.4	Very high	21 Å²	21	33 Å²	33	13%	0.129	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.1	173.8	69.1	0	0	0	0	111.6	H58 A78 D80 T96 L97	H58-T82 PolarHBondContact CE1-OG1 2.93Å; H58-T82 VanDerWaalsContact CE1-OG1 3.3Å; H58-T82 PolarHBondContact ND1-OG1 2.83Å; A78-T82 PolarHBondContact N-O 3.02Å; D80-T82 VanDerWaalsContact CG-OG1 3.3Å; D80-T82 PolarHBondContact O-N 2.99Å; D80-T82 PolarHBondContact OD1-N 3.26Å; D80-T82 PolarHBondContact OD1-OG1 2.91Å; D80-T82 PolarHBondContact OD2-OG1 2.89Å; T82-T96 HydrophobicContact CG2-CG2 3.91Å; T82-L97 VanDerWaalsContact CA-O 3.27Å; T82-L97 WeakPolarHBondContact CA-O 3.47Å
83	A	98.7	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	146.2	151.2	0	0	0	0	0	108.4	T76 L97 V103 V106 T117	T76-A83 CarbonylContact O-C 3.53Å; T76-A83 WeakPolarHBondContact O-CA 3.32Å; A83-L97 HydrophobicContact CB-CB 4.25Å; A83-L97 HydrophobicContact CB-CD1 4.38Å; A83-L97 PolarHBondContact N-O 2.89Å; A83-L97 PolarHBondContact O-N 3.5Å; A83-V103 HydrophobicContact CB-CG1 4.31Å; A83-V106 HydrophobicContact CB-CG1 3.94Å; A83-T117 HydrophobicContact CB-CG2 3.94Å
84	K	98.8	Very high	98.4	Very high	15 Å²	15	35.7 Å²	35.7	7%	0.065	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.3	177.1	-69.7	176.1	180	-77.6	0	110.2	A75 T76 W86 E93 M95 T96	A75-K84 CarbonylContact C-O 3.59Å; A75-K84 VanDerWaalsContact CA-O 3.22Å; A75-K84 WeakPolarHBondContact CA-O 3.31Å; T76-K84 PolarHBondContact N-O 2.91Å; T76-K84 PolarHBondContact O-N 3Å; K84-W86 HydrophobicContact CB-CZ2 3.63Å; K84-W86 HydrophobicContact CD-CH2 3.64Å; K84-W86 HydrophobicContact CD-CZ2 3.37Å; K84-W86 HydrophobicContact CG-CZ2 4.14Å; K84-E93 WeakPolarHBondContact CD-OE2 3.47Å; K84-E93 WeakPolarHBondContact CE-OE2 3.47Å; K84-E93 IonicContact NZ-OE1 3.81Å; K84-E93 PolarHBondContact NZ-OE1 3.03Å; K84-E93 IonicContact NZ-OE2 3.69Å; K84-E93 PolarHBondContact NZ-OE2 3.27Å; K84-M95 VanDerWaalsContact CA-O 3.27Å; K84-M95 WeakPolarHBondContact CA-O 3.39Å; K84-T96 PolarHBondContact NZ-OG1 3.43Å
85	V	98.8	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.4	170.1	-177.1	0	0	0	0	107.6	A74 L94 M95 F108 L115 L129	A74-V85 CarbonylContact O-C 3.58Å; A74-V85 WeakPolarHBondContact O-CA 3.44Å; V85-L94 HydrophobicContact CG1-CB 4.47Å; V85-L94 HydrophobicContact CG1-CD1 4.35Å; V85-L94 WeakPolarHBondContact O-CA 3.34Å; V85-L94 WeakPolarHBondContact O-CB 3.43Å; V85-L94 PolarHBondContact O-N 3.28Å; V85-M95 HydrophobicContact CB-CB 4.2Å; V85-M95 HydrophobicContact CB-CE 4.38Å; V85-M95 HydrophobicContact CG2-CB 4.46Å; V85-M95 HydrophobicContact CG2-CE 4.43Å; V85-M95 PolarHBondContact N-O 2.95Å; V85-M95 PolarHBondContact O-N 3.46Å; V85-M95 VanDerWaalsContact O-N 3.12Å; V85-F108 HydrophobicContact CG1-CE1 4.34Å; V85-F108 HydrophobicContact CG1-CZ 4.18Å; V85-L115 HydrophobicContact CG2-CD2 3.73Å; V85-L129 HydrophobicContact CG2-CD2 4.13Å
86	W	98.8	Very high	98.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.9	-174.9	-43.1	82.9	0	0	0	109.8	F55 K73 A74 T76 K84 A88 D92 E93	F55-W86 HydrophobicContact CB-CD2 3.72Å; F55-W86 HydrophobicContact CB-CE3 3.83Å; F55-W86 HydrophobicContact CB-CG 4.3Å; F55-W86 HydrophobicContact CB-CH2 4.01Å; F55-W86 HydrophobicContact CB-CZ2 3.89Å; F55-W86 HydrophobicContact CB-CZ3 3.98Å; F55-W86 HydrophobicContact CD1-CB 3.6Å; F55-W86 AromaticContact CD1-CD2 3.7Å; F55-W86 HydrophobicContact CD1-CD2 3.7Å; F55-W86 AromaticContact CD1-CE3 3.85Å; F55-W86 HydrophobicContact CD1-CE3 3.85Å; F55-W86 AromaticContact CD1-CG 3.6Å; F55-W86 HydrophobicContact CD1-CG 3.6Å; F55-W86 HydrophobicContact CE1-CB 3.61Å; F55-W86 HydrophobicContact CE1-CG 4.06Å; F55-W86 HydrophobicContact CG-CB 4.43Å; F55-W86 AromaticContact CG-CD2 3.92Å; F55-W86 HydrophobicContact CG-CD2 3.92Å; F55-W86 HydrophobicContact CG-CE3 4.24Å; F55-W86 AromaticContact CG-CG 3.99Å; F55-W86 HydrophobicContact CG-CG 3.99Å; F55-W86 HydrophobicContact CZ-CB 4.45Å; K73-W86 VanDerWaalsContact CA-O 3.31Å; K73-W86 WeakPolarHBondContact CA-O 3.35Å; A74-W86 HydrophobicContact CB-CB 4.23Å; A74-W86 PolarHBondContact N-O 2.85Å; A74-W86 PolarHBondContact O-N 3.13Å; T76-W86 PolarHBondContact OG1-NE1 3.17Å; K84-W86 HydrophobicContact CB-CZ2 3.63Å; K84-W86 HydrophobicContact CD-CH2 3.64Å; K84-W86 HydrophobicContact CD-CZ2 3.37Å; K84-W86 HydrophobicContact CG-CZ2 4.14Å; W86-A88 PolarHBondContact O-N 3.19Å; W86-D92 CarbonylContact C-O 3.57Å; W86-D92 VanDerWaalsContact CA-O 3.28Å; W86-D92 WeakPolarHBondContact CA-O 3.36Å; W86-E93 HydrophobicContact CE3-CB 3.83Å; W86-E93 HydrophobicContact CE3-CG 4.25Å; W86-E93 HydrophobicContact CZ3-CB 3.75Å; W86-E93 HydrophobicContact CZ3-CG 4.11Å
87	D	98.4	Very high	98.2	Very high	47 Å²	47	41 Å²	41	25%	0.251	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	115.5	160.6	-177.5	-78.9	0	0	0	107.4	V89 S90 G91 D92 L94	D87-V89 PolarHBondContact O-N 3.34Å; D87-V89 WeakPolarHBondContact OD1-CB 3.48Å; D87-V89 PolarHBondContact OD1-N 2.93Å; D87-V89 VanDerWaalsContact OD1-N 3.07Å; D87-S90 VanDerWaalsContact CB-OG 3.3Å; D87-S90 WeakPolarHBondContact CB-OG 3.47Å; D87-S90 WeakPolarHBondContact OD1-CB 3.42Å; D87-S90 PolarHBondContact OD1-N 2.68Å; D87-S90 PolarHBondContact OD1-OG 3.49Å; D87-G91 WeakPolarHBondContact O-CA 3.37Å; D87-G91 PolarHBondContact O-N 2.8Å; D87-D92 PolarHBondContact N-O 3.05Å; D87-L94 HydrophobicContact CB-CD1 4.01Å; D87-L94 HydrophobicContact CB-CD2 4.06Å; D87-L94 HydrophobicContact CB-CG 4.03Å
88	A	97.9	Very high	98.1	Very high	9 Å²	9	44.8 Å²	44.8	7%	0.074	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.9	-173.6	0	0	0	0	0	113	L43 F55 L67 A71 T72 A74 W86	L43-A88 HydrophobicContact CD2-CB 4.45Å; L43-A88 WeakPolarHBondContact CD2-O 3.32Å; F55-A88 HydrophobicContact CZ-CB 4.37Å; L67-A88 HydrophobicContact CD2-CB 4.15Å; A71-A88 WeakPolarHBondContact O-CB 3.3Å; T72-A88 PolarHBondContact O-N 2.9Å; A74-A88 HydrophobicContact CB-CB 4.39Å; W86-A88 PolarHBondContact O-N 3.19Å
89	V	97.2	Very high	98.1	Very high	120 Å²	120	45.6 Å²	45.6	73%	0.727	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-48.1	-179.2	-177.2	0	0	0	0	110.6	D87	D87-V89 PolarHBondContact O-N 3.34Å; D87-V89 WeakPolarHBondContact OD1-CB 3.48Å; D87-V89 PolarHBondContact OD1-N 2.93Å; D87-V89 VanDerWaalsContact OD1-N 3.07Å
90	S	97.4	Very high	98.1	Very high	69 Å²	69	52.3 Å²	52.3	48%	0.483	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-28.9	178.9	58.8	0	0	0	0	113.1	D87 D92	D87-S90 VanDerWaalsContact CB-OG 3.3Å; D87-S90 WeakPolarHBondContact CB-OG 3.47Å; D87-S90 WeakPolarHBondContact OD1-CB 3.42Å; D87-S90 PolarHBondContact OD1-N 2.68Å; D87-S90 PolarHBondContact OD1-OG 3.49Å; S90-D92 VanDerWaalsContact C-N 3.33Å; S90-D92 PolarHBondContact OG-N 3.4Å
91	G	96.7	Very high	98.1	Very high	32 Å²	32	54.1 Å²	54.1	33%	0.33	30%	0.302	S	S	.	.			trans	86.1	1.9	-170.8	0	0	0	0	0	114.1	D87	D87-G91 WeakPolarHBondContact O-CA 3.37Å; D87-G91 PolarHBondContact O-N 2.8Å
92	D	98.1	Very high	98.1	Very high	106 Å²	106	51.7 Å²	51.7	57%	0.567	29%	0.292	S	S	*	.			trans	-70.8	143.5	-177.2	-71.5	-29.2	0	0	0	112.2	W86 D87 S90 L94	W86-D92 CarbonylContact C-O 3.57Å; W86-D92 VanDerWaalsContact CA-O 3.28Å; W86-D92 WeakPolarHBondContact CA-O 3.36Å; D87-D92 PolarHBondContact N-O 3.05Å; S90-D92 VanDerWaalsContact C-N 3.33Å; S90-D92 PolarHBondContact OG-N 3.4Å; D92-L94 PolarHBondContact O-N 2.79Å
93	E	98.4	Very high	98.1	Very high	88 Å²	88	50.7 Å²	50.7	41%	0.411	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	118.9	171.5	-172.5	-177.9	121.7	0	0	109.9	K84 W86 T96	K84-E93 WeakPolarHBondContact CD-OE2 3.47Å; K84-E93 WeakPolarHBondContact CE-OE2 3.47Å; K84-E93 IonicContact NZ-OE1 3.81Å; K84-E93 PolarHBondContact NZ-OE1 3.03Å; K84-E93 IonicContact NZ-OE2 3.69Å; K84-E93 PolarHBondContact NZ-OE2 3.27Å; W86-E93 HydrophobicContact CE3-CB 3.83Å; W86-E93 HydrophobicContact CE3-CG 4.25Å; W86-E93 HydrophobicContact CZ3-CB 3.75Å; W86-E93 HydrophobicContact CZ3-CG 4.11Å; E93-T96 PolarHBondContact OE1-OG1 3.2Å
94	L	97.8	Very high	98	Very high	86 Å²	86	52.9 Å²	52.9	45%	0.45	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-41.1	178.5	-63.1	177.5	0	0	0	112.1	V85 D87 D92	V85-L94 HydrophobicContact CG1-CB 4.47Å; V85-L94 HydrophobicContact CG1-CD1 4.35Å; V85-L94 WeakPolarHBondContact O-CA 3.34Å; V85-L94 WeakPolarHBondContact O-CB 3.43Å; V85-L94 PolarHBondContact O-N 3.28Å; D87-L94 HydrophobicContact CB-CD1 4.01Å; D87-L94 HydrophobicContact CB-CD2 4.06Å; D87-L94 HydrophobicContact CB-CG 4.03Å; D92-L94 PolarHBondContact O-N 2.79Å
95	M	97.5	Very high	98	Very high	33 Å²	33	52.2 Å²	52.2	16%	0.163	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	147.2	-178.6	-81.8	178.8	-87	0	0	112.1	K84 V85 L97 L129 P132	K84-M95 VanDerWaalsContact CA-O 3.27Å; K84-M95 WeakPolarHBondContact CA-O 3.39Å; V85-M95 HydrophobicContact CB-CB 4.2Å; V85-M95 HydrophobicContact CB-CE 4.38Å; V85-M95 HydrophobicContact CG2-CB 4.46Å; V85-M95 HydrophobicContact CG2-CE 4.43Å; V85-M95 PolarHBondContact N-O 2.95Å; V85-M95 PolarHBondContact O-N 3.46Å; V85-M95 VanDerWaalsContact O-N 3.12Å; M95-L97 HydrophobicContact CB-CD2 4.41Å; M95-L97 HydrophobicContact SD-CD2 4.44Å; M95-L129 HydrophobicContact CE-CB 4Å; M95-L129 HydrophobicContact CE-CD2 3.49Å; M95-L129 VanDerWaalsContact CE-CD2 3.49Å; M95-L129 HydrophobicContact CE-CG 4.29Å; M95-L129 HydrophobicContact SD-CD2 4.16Å; M95-P132 HydrophobicContact CG-CB 4.43Å; M95-P132 HydrophobicContact SD-CB 3.77Å
96	T	98.1	Very high	98	Very high	66 Å²	66	52.4 Å²	52.4	41%	0.405	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.6	164.6	-76.2	0	0	0	0	109.5	T82 K84 E93	T82-T96 HydrophobicContact CG2-CG2 3.91Å; K84-T96 PolarHBondContact NZ-OG1 3.43Å; E93-T96 PolarHBondContact OE1-OG1 3.2Å
97	L	97.9	Very high	98	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	110.7	-178.6	-51.8	175.1	0	0	0	108.5	T82 A83 M95 H99 L115 Y127	T82-L97 VanDerWaalsContact CA-O 3.27Å; T82-L97 WeakPolarHBondContact CA-O 3.47Å; A83-L97 HydrophobicContact CB-CB 4.25Å; A83-L97 HydrophobicContact CB-CD1 4.38Å; A83-L97 PolarHBondContact N-O 2.89Å; A83-L97 PolarHBondContact O-N 3.5Å; M95-L97 HydrophobicContact CB-CD2 4.41Å; M95-L97 HydrophobicContact SD-CD2 4.44Å; L97-H99 PolarHBondContact O-CD2 3.03Å; L97-L115 HydrophobicContact CD1-CD2 3.58Å; L97-Y127 HydrophobicContact CB-CE1 4.15Å; L97-Y127 HydrophobicContact CB-CE2 4.42Å; L97-Y127 HydrophobicContact CD1-CD1 4.11Å; L97-Y127 HydrophobicContact CD1-CD2 3.79Å; L97-Y127 HydrophobicContact CD1-CE1 4.4Å; L97-Y127 HydrophobicContact CD1-CE2 4.1Å; L97-Y127 HydrophobicContact CD1-CG 3.8Å; L97-Y127 HydrophobicContact CD2-CD1 3.75Å; L97-Y127 HydrophobicContact CD2-CE1 3.99Å; L97-Y127 HydrophobicContact CD2-CG 4.24Å; L97-Y127 HydrophobicContact CG-CD1 4.36Å; L97-Y127 HydrophobicContact CG-CE1 4.4Å
98	A	97.5	Very high	98.1	Very high	78 Å²	78	52 Å²	52	65%	0.645	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	137.5	-176.9	0	0	0	0	0	112
99	H	98.1	Very high	98.1	Very high	18 Å²	18	51.8 Å²	51.8	8%	0.083	29%	0.289	C	S	.	.			trans	-121.2	166.1	174.7	-74.1	-117.4	0	0	0	110.9	F81 L97 H101 V103 T117 R125 Y127	F81-H99 WeakPolarHBondContact O-CB 3.35Å; F81-H99 PolarHBondContact O-N 2.85Å; L97-H99 PolarHBondContact O-CD2 3.03Å; H99-H101 VanDerWaalsContact C-N 3.32Å; H99-H101 WeakPolarHBondContact CB-O 3.47Å; H99-V103 HydrophobicContact CB-CG2 3.72Å; H99-V103 VanDerWaalsContact CD2-CG2 3.45Å; H99-V103 WeakPolarHBondContact CD2-CG2 3.24Å; H99-V103 VanDerWaalsContact CG-CG2 3.41Å; H99-T117 PolarHBondContact CE1-OG1 3.03Å; H99-T117 PolarHBondContact NE2-OG1 3.48Å; H99-R125 PolarHBondContact ND1-NH1 3.43Å; H99-R125 VanDerWaalsContact ND1-NH1 3.12Å; H99-Y127 AromaticContact NE2-CE2 3.96Å; H99-Y127 PolarHBondContact NE2-OH 2.94Å
100	K	97.5	Very high	98	Very high	168 Å²	168	50.9 Å²	50.9	73%	0.73	28%	0.277	S	S	*	.	S	Bend	trans	-81.2	-12.7	177	-66	178.3	-178.3	169.1	0	113.3
101	H	98.4	Very high	97.9	Very high	78 Å²	78	51.8 Å²	51.8	36%	0.361	28%	0.276	S	S	.	.	S	Bend	trans	-157.2	176.3	180	-153.6	-74.7	0	0	0	110.2	H99 V103 Q120 D121	H99-H101 VanDerWaalsContact C-N 3.32Å; H99-H101 WeakPolarHBondContact CB-O 3.47Å; H101-V103 PolarHBondContact O-N 2.82Å; H101-Q120 HydrophobicContact CB-CB 4.16Å; H101-Q120 WeakPolarHBondContact ND1-CB 3.48Å; H101-D121 HydrophobicContact CB-CB 4.05Å
102	I	98.6	Very high	97.9	Very high	37 Å²	37	50.7 Å²	50.7	19%	0.19	26%	0.264	C	S	.	.			trans	-43.4	124.7	175.9	-57	177.4	0	0	0	111.5	A79 F81 K104 G119 Q120	A79-I102 HydrophobicContact CB-CD1 4.42Å; A79-I102 HydrophobicContact CB-CG1 4.32Å; A79-I102 HydrophobicContact CB-CG2 4.39Å; F81-I102 HydrophobicContact CD1-CB 4.44Å; F81-I102 HydrophobicContact CD1-CG1 3.93Å; F81-I102 HydrophobicContact CE1-CG1 3.61Å; I102-K104 HydrophobicContact CG2-CG 4.11Å; I102-G119 VanDerWaalsContact O-CA 3.31Å; I102-G119 WeakPolarHBondContact O-CA 3.47Å; I102-Q120 HydrophobicContact CB-CB 4.29Å; I102-Q120 HydrophobicContact CB-CG 3.85Å; I102-Q120 HydrophobicContact CG2-CG 4.35Å; I102-Q120 PolarHBondContact O-N 3.47Å
103	V	98.8	Very high	97.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.2	170.1	-160.4	0	0	0	0	108.1	A77 A78 A83 H99 H101 G118	A77-V103 CarbonylContact C-O 3.53Å; A77-V103 HydrophobicContact CB-CB 3.89Å; A77-V103 HydrophobicContact CB-CG1 3.66Å; A78-V103 PolarHBondContact N-O 3.44Å; A78-V103 PolarHBondContact O-N 3.42Å; A83-V103 HydrophobicContact CB-CG1 4.31Å; H99-V103 HydrophobicContact CB-CG2 3.72Å; H99-V103 VanDerWaalsContact CD2-CG2 3.45Å; H99-V103 WeakPolarHBondContact CD2-CG2 3.24Å; H99-V103 VanDerWaalsContact CG-CG2 3.41Å; H101-V103 PolarHBondContact O-N 2.82Å; V103-G118 WeakPolarHBondContact CG1-O 3.46Å
104	K	98.5	Very high	97.8	Very high	46 Å²	46	47.1 Å²	47.1	20%	0.2	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-25.2	-177.1	-73.9	-158.3	166.3	-177.7	0	114.5	W63 G64 I102 G118	W63-K104 HydrophobicContact CB-CB 4.39Å; W63-K104 HydrophobicContact CB-CG 4.24Å; W63-K104 HydrophobicContact CG-CG 4.29Å; G64-K104 WeakPolarHBondContact CA-O 3.22Å; G64-K104 PolarHBondContact N-O 3.22Å; I102-K104 HydrophobicContact CG2-CG 4.11Å; K104-G118 PolarHBondContact N-O 3.23Å
105	T	98.7	Very high	97.8	Very high	1 Å²	1	43 Å²	43	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.3	-174.3	-166.2	0	0	0	0	110.7	T117 G118 I146 A149	T105-T117 VanDerWaalsContact O-CA 3.31Å; T105-T117 WeakPolarHBondContact O-CA 3.49Å; T105-G118 PolarHBondContact N-O 2.82Å; T105-G118 VanDerWaalsContact N-O 3.13Å; T105-G118 PolarHBondContact O-N 2.99Å; T105-G118 VanDerWaalsContact O-N 3.17Å; T105-I146 HydrophobicContact CG2-CG2 4.14Å; T105-A149 HydrophobicContact CG2-CB 3.6Å; T105-A149 PolarHBondContact OG1-N 2.81Å; T105-A149 PolarHBondContact OG1-O 3.06Å
106	V	98.8	Very high	97.9	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.8	176.1	-86.1	0	0	0	0	107.7	T66 A75 A77 A83 L115 L116 T117	T66-V106 HydrophobicContact CG2-CB 4.37Å; T66-V106 HydrophobicContact CG2-CG2 4.15Å; A75-V106 HydrophobicContact CB-CB 4.03Å; A75-V106 HydrophobicContact CB-CG1 4.28Å; A75-V106 HydrophobicContact CB-CG2 4.24Å; A77-V106 HydrophobicContact CB-CG1 3.89Å; A77-V106 HydrophobicContact CB-CG2 4.09Å; A83-V106 HydrophobicContact CB-CG1 3.94Å; V106-L115 HydrophobicContact CB-CD1 4.38Å; V106-L115 HydrophobicContact CG1-CD2 4.27Å; V106-L116 CarbonylContact C-O 3.6Å; V106-L116 VanDerWaalsContact CA-O 3.23Å; V106-L116 WeakPolarHBondContact CA-O 3.49Å; V106-T117 HydrophobicContact CG1-CG2 3.95Å
107	D	98.8	Very high	97.9	Very high	26 Å²	26	38.3 Å²	38.3	14%	0.139	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	138.4	173.6	-160.2	33.2	0	0	0	112	L116 L150 W151	D107-L116 PolarHBondContact N-O 3.45Å; D107-L116 PolarHBondContact O-N 2.84Å; D107-L150 VanDerWaalsContact OD2-CA 3.31Å; D107-L150 WeakPolarHBondContact OD2-CA 3.42Å; D107-W151 PolarHBondContact O-NE1 3.13Å; D107-W151 PolarHBondContact OD2-N 2.91Å
108	F	98.7	Very high	97.9	Very high	13 Å²	13	37.7 Å²	37.7	6%	0.057	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	146.9	178.8	-72.2	-74.3	0	0	0	110.6	T66 N68 K73 A75 V85 L115 L129 W151	T66-F108 HydrophobicContact CG2-CD2 3.75Å; T66-F108 HydrophobicContact CG2-CE2 3.94Å; N68-F108 HydrophobicContact CB-CB 4.49Å; N68-F108 HydrophobicContact CB-CD2 3.95Å; N68-F108 HydrophobicContact CB-CE2 4.35Å; N68-F108 HydrophobicContact CB-CG 4.22Å; K73-F108 HydrophobicContact CB-CE1 4.49Å; K73-F108 HydrophobicContact CB-CE2 4.42Å; K73-F108 HydrophobicContact CB-CZ 3.94Å; A75-F108 HydrophobicContact CB-CD2 4.46Å; A75-F108 HydrophobicContact CB-CE1 4.37Å; A75-F108 HydrophobicContact CB-CE2 3.58Å; A75-F108 HydrophobicContact CB-CZ 3.53Å; V85-F108 HydrophobicContact CG1-CE1 4.34Å; V85-F108 HydrophobicContact CG1-CZ 4.18Å; F108-L115 HydrophobicContact CD1-CD1 3.72Å; F108-L115 HydrophobicContact CD2-CD1 4.42Å; F108-L115 HydrophobicContact CE1-CD1 3.7Å; F108-L115 HydrophobicContact CE2-CD1 4.4Å; F108-L115 HydrophobicContact CG-CD1 4.1Å; F108-L115 HydrophobicContact CZ-CD1 4.06Å; F108-L129 HydrophobicContact CD1-CD1 3.89Å; F108-L129 HydrophobicContact CE1-CD1 3.66Å; F108-W151 VanDerWaalsContact C-CD1 3.44Å; F108-W151 VanDerWaalsContact O-CD1 3.27Å
109	T	98	Very high	98	Very high	6 Å²	6	34 Å²	34	4%	0.037	16%	0.161	C	C	.	.			trans	-65	159.2	158.3	50.5	0	0	0	0	110.4	D111 S112 N113 Y114 W151 D155	T109-D111 WeakPolarHBondContact CB-OD1 3.48Å; T109-D111 PolarHBondContact O-N 3.16Å; T109-D111 PolarHBondContact OG1-OD1 2.92Å; T109-S112 WeakPolarHBondContact O-CA 3.32Å; T109-S112 PolarHBondContact O-N 2.76Å; T109-N113 PolarHBondContact OG1-N 3.06Å; T109-Y114 HydrophobicContact CG2-CD2 4.26Å; T109-Y114 HydrophobicContact CG2-CG 4.49Å; T109-Y114 PolarHBondContact N-O 3.38Å; T109-Y114 VanDerWaalsContact N-O 3.12Å; T109-Y114 PolarHBondContact OG1-N 3.12Å; T109-Y114 PolarHBondContact OG1-O 3.03Å; T109-W151 HydrophobicContact CG2-CD2 3.69Å; T109-W151 HydrophobicContact CG2-CE3 4.06Å; T109-W151 HydrophobicContact CG2-CG 4.22Å; T109-W151 HydrophobicContact CG2-CH2 3.86Å; T109-W151 HydrophobicContact CG2-CZ2 3.52Å; T109-W151 HydrophobicContact CG2-CZ3 4.13Å; T109-D155 WeakPolarHBondContact CB-OD2 3.35Å; T109-D155 HydrophobicContact CG2-CB 4.07Å
110	Q	95.2	Very high	98	Very high	101 Å²	101	36 Å²	36	47%	0.472	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-36.2	-178.6	-167.3	-175.2	73.9	0	0	112.1	K69 S112 E154 D155	K69-Q110 HydrophobicContact CD-CG 4.49Å; Q110-S112 VanDerWaalsContact C-N 3.3Å; Q110-S112 PolarHBondContact O-N 2.72Å; Q110-E154 PolarHBondContact NE2-OE2 2.89Å; Q110-D155 WeakPolarHBondContact CB-OD2 3.36Å; Q110-D155 PolarHBondContact N-OD1 3.36Å; Q110-D155 PolarHBondContact N-OD2 2.91Å
111	D	95.4	Very high	98	Very high	87 Å²	87	29.5 Å²	29.5	47%	0.465	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.1	176.7	67.9	1.6	0	0	0	114.3	T109 N113	T109-D111 WeakPolarHBondContact CB-OD1 3.48Å; T109-D111 PolarHBondContact O-N 3.16Å; T109-D111 PolarHBondContact OG1-OD1 2.92Å; D111-N113 PolarHBondContact O-N 3.17Å; D111-N113 VanDerWaalsContact O-N 3.16Å; D111-N113 WeakPolarHBondContact OD1-CB 3.15Å; D111-N113 PolarHBondContact OD1-N 3Å; D111-N113 PolarHBondContact OD2-ND2 3Å
112	S	96.6	Very high	97.9	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.063	15%	0.145	C	C	.	.	S	Bend	trans	55.5	24.6	-175.7	-49.7	0	0	0	0	114.5	N68 T109 Q110 L129	N68-S112 VanDerWaalsContact CB-OG 3.28Å; N68-S112 WeakPolarHBondContact CB-OG 3.44Å; N68-S112 PolarHBondContact ND2-OG 3.34Å; N68-S112 VanDerWaalsContact ND2-OG 3.11Å; T109-S112 WeakPolarHBondContact O-CA 3.32Å; T109-S112 PolarHBondContact O-N 2.76Å; Q110-S112 VanDerWaalsContact C-N 3.3Å; Q110-S112 PolarHBondContact O-N 2.72Å; S112-L129 WeakPolarHBondContact O-CD1 3.22Å
113	N	96.4	Very high	97.9	Very high	55 Å²	55	30.2 Å²	30.2	29%	0.294	15%	0.146	S	C	.	.	S	Bend	trans	-85.3	-27.5	175.4	-73.4	-34.4	0	0	0	112.4	T109 D111 L129 N130	T109-N113 PolarHBondContact OG1-N 3.06Å; D111-N113 PolarHBondContact O-N 3.17Å; D111-N113 VanDerWaalsContact O-N 3.16Å; D111-N113 WeakPolarHBondContact OD1-CB 3.15Å; D111-N113 PolarHBondContact OD1-N 3Å; D111-N113 PolarHBondContact OD2-ND2 3Å; N113-L129 WeakPolarHBondContact O-CB 3.17Å; N113-L129 PolarHBondContact O-N 2.89Å; N113-N130 PolarHBondContact OD1-ND2 2.83Å
114	Y	98.2	Very high	97.9	Very high	65 Å²	65	30.2 Å²	30.2	26%	0.255	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.8	177.7	-60	-86.5	0	0	0	112.1	T109 I126 Y127 D128	T109-Y114 HydrophobicContact CG2-CD2 4.26Å; T109-Y114 HydrophobicContact CG2-CG 4.49Å; T109-Y114 PolarHBondContact N-O 3.38Å; T109-Y114 VanDerWaalsContact N-O 3.12Å; T109-Y114 PolarHBondContact OG1-N 3.12Å; T109-Y114 PolarHBondContact OG1-O 3.03Å; Y114-I126 HydrophobicContact CD1-CG2 3.79Å; Y114-I126 HydrophobicContact CG-CG2 4.14Å; Y114-Y127 WeakPolarHBondContact CA-O 3.34Å; Y114-D128 HydrophobicContact CD1-CB 4.07Å; Y114-D128 HydrophobicContact CE1-CB 3.78Å
115	L	98.7	Very high	97.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.9	168.7	-172.8	77	0	0	0	109.7	A75 V85 L97 V106 F108 T117 I126 Y127 L129	A75-L115 HydrophobicContact CB-CD1 3.53Å; A75-L115 HydrophobicContact CB-CD2 4.26Å; V85-L115 HydrophobicContact CG2-CD2 3.73Å; L97-L115 HydrophobicContact CD1-CD2 3.58Å; V106-L115 HydrophobicContact CB-CD1 4.38Å; V106-L115 HydrophobicContact CG1-CD2 4.27Å; F108-L115 HydrophobicContact CD1-CD1 3.72Å; F108-L115 HydrophobicContact CD2-CD1 4.42Å; F108-L115 HydrophobicContact CE1-CD1 3.7Å; F108-L115 HydrophobicContact CE2-CD1 4.4Å; F108-L115 HydrophobicContact CG-CD1 4.1Å; F108-L115 HydrophobicContact CZ-CD1 4.06Å; L115-T117 HydrophobicContact CD2-CG2 3.91Å; L115-T117 HydrophobicContact CG-CG2 4.14Å; L115-I126 WeakPolarHBondContact O-CA 3.21Å; L115-Y127 PolarHBondContact N-O 3.2Å; L115-Y127 PolarHBondContact O-N 2.59Å; L115-L129 HydrophobicContact CB-CD1 4.16Å; L115-L129 HydrophobicContact CB-CD2 3.83Å; L115-L129 HydrophobicContact CB-CG 4.22Å
116	L	98.8	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.9	169.2	176.9	65.1	0	0	0	109.2	V106 D107 L124 R125 I126 A149 W151 I158	V106-L116 CarbonylContact C-O 3.6Å; V106-L116 VanDerWaalsContact CA-O 3.23Å; V106-L116 WeakPolarHBondContact CA-O 3.49Å; D107-L116 PolarHBondContact N-O 3.45Å; D107-L116 PolarHBondContact O-N 2.84Å; L116-L124 HydrophobicContact CD1-CB 4.27Å; L116-L124 HydrophobicContact CD1-CD2 4.24Å; L116-R125 CarbonylContact C-O 3.55Å; L116-R125 WeakPolarHBondContact CA-O 3.4Å; L116-I126 HydrophobicContact CD1-CG1 4.05Å; L116-A149 HydrophobicContact CD2-CB 3.78Å; L116-A149 HydrophobicContact CG-CB 4.22Å; L116-W151 HydrophobicContact CB-CZ2 3.99Å; L116-W151 VanDerWaalsContact CB-NE1 3.28Å; L116-I158 HydrophobicContact CD1-CD1 4.28Å; L116-I158 HydrophobicContact CD1-CG2 4.32Å; L116-I158 HydrophobicContact CD2-CG1 4.42Å; L116-I158 HydrophobicContact CD2-CG2 3.58Å
117	T	98.8	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157.2	175	63.8	0	0	0	0	110.7	A83 H99 T105 V106 L115 L124 R125 Y127	A83-T117 HydrophobicContact CB-CG2 3.94Å; H99-T117 PolarHBondContact CE1-OG1 3.03Å; H99-T117 PolarHBondContact NE2-OG1 3.48Å; T105-T117 VanDerWaalsContact O-CA 3.31Å; T105-T117 WeakPolarHBondContact O-CA 3.49Å; V106-T117 HydrophobicContact CG1-CG2 3.95Å; L115-T117 HydrophobicContact CD2-CG2 3.91Å; L115-T117 HydrophobicContact CG-CG2 4.14Å; T117-L124 WeakPolarHBondContact O-CA 3.38Å; T117-R125 PolarHBondContact N-O 2.94Å; T117-R125 PolarHBondContact O-N 2.82Å; T117-R125 WeakPolarHBondContact OG1-CB 3.4Å; T117-R125 PolarHBondContact OG1-O 3.37Å; T117-Y127 HydrophobicContact CG2-CD2 4.09Å; T117-Y127 HydrophobicContact CG2-CE2 4Å; T117-Y127 WeakPolarHBondContact OG1-CE2 3.31Å
118	G	98.6	Very high	97.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	156.9	174.7	0	0	0	0	0	111.9	V103 K104 T105	V103-G118 WeakPolarHBondContact CG1-O 3.46Å; K104-G118 PolarHBondContact N-O 3.23Å; T105-G118 PolarHBondContact N-O 2.82Å; T105-G118 VanDerWaalsContact N-O 3.13Å; T105-G118 PolarHBondContact O-N 2.99Å; T105-G118 VanDerWaalsContact O-N 3.17Å
119	G	97.9	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-155.4	-177.1	0	0	0	0	0	115.3	I102 D121 K122 G145 I146	I102-G119 VanDerWaalsContact O-CA 3.31Å; I102-G119 WeakPolarHBondContact O-CA 3.47Å; G119-D121 PolarHBondContact O-N 3.39Å; G119-K122 PolarHBondContact O-N 3.12Å; G119-K122 VanDerWaalsContact O-N 3.1Å; G119-G145 CarbonylContact O-C 3.49Å; G119-I146 PolarHBondContact O-N 3.1Å
120	Q	98.3	Very high	97.7	Very high	60 Å²	60	34.3 Å²	34.3	28%	0.28	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-15.8	-174	-71.8	-58.7	-47.9	0	0	114.2	H101 I102 K122	H101-Q120 HydrophobicContact CB-CB 4.16Å; H101-Q120 WeakPolarHBondContact ND1-CB 3.48Å; I102-Q120 HydrophobicContact CB-CB 4.29Å; I102-Q120 HydrophobicContact CB-CG 3.85Å; I102-Q120 HydrophobicContact CG2-CG 4.35Å; I102-Q120 PolarHBondContact O-N 3.47Å; Q120-K122 PolarHBondContact O-N 3.26Å
121	D	97.2	Very high	97.7	Very high	31 Å²	31	35.7 Å²	35.7	17%	0.166	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	1.6	171.3	69.4	-13.2	0	0	0	113.2	H101 G119 L123 R125	H101-D121 HydrophobicContact CB-CB 4.05Å; G119-D121 PolarHBondContact O-N 3.39Å; D121-L123 PolarHBondContact O-N 3.16Å; D121-R125 IonicContact OD1-NH1 3.89Å; D121-R125 IonicContact OD2-CZ 2.86Å; D121-R125 VanDerWaalsContact OD2-CZ 3.23Å; D121-R125 IonicContact OD2-NH1 3.54Å; D121-R125 PolarHBondContact OD2-NH1 3.02Å; D121-R125 IonicContact OD2-NH2 2.68Å; D121-R125 PolarHBondContact OD2-NH2 3.49Å
122	K	98.1	Very high	97.4	Very high	93 Å²	93	35.2 Å²	35.2	40%	0.404	17%	0.174	S	C	.	.			trans	68.5	12.1	168.5	-38.6	176	-177.4	-174.4	0	114.5	G119 Q120 H142 T143 S144	G119-K122 PolarHBondContact O-N 3.12Å; G119-K122 VanDerWaalsContact O-N 3.1Å; Q120-K122 PolarHBondContact O-N 3.26Å; K122-H142 HydrophobicContact CB-CB 4.41Å; K122-T143 WeakPolarHBondContact CD-O 3.42Å; K122-T143 WeakPolarHBondContact CE-O 3.5Å; K122-T143 PolarHBondContact NZ-O 2.94Å; K122-S144 WeakPolarHBondContact CG-O 3.41Å
123	L	98.1	Very high	97.2	Very high	37 Å²	37	43.6 Å²	43.6	19%	0.194	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.2	178	-66.2	171.6	0	0	0	109.5	D121 R125 I146	D121-L123 PolarHBondContact O-N 3.16Å; L123-R125 VanDerWaalsContact CD1-NH2 3.3Å; L123-I146 VanDerWaalsContact C-CD1 3.48Å; L123-I146 WeakPolarHBondContact O-CD1 3.37Å
124	L	98.7	Very high	97.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	140.8	161.1	-64	166.5	0	0	0	108	L116 T117 E138 I139 I146 A149 I158 W169	L116-L124 HydrophobicContact CD1-CB 4.27Å; L116-L124 HydrophobicContact CD1-CD2 4.24Å; T117-L124 WeakPolarHBondContact O-CA 3.38Å; L124-E138 CarbonylContact O-C 3.59Å; L124-E138 WeakPolarHBondContact O-CA 3.44Å; L124-I139 HydrophobicContact CB-CB 4.11Å; L124-I139 HydrophobicContact CD1-CB 4.41Å; L124-I139 PolarHBondContact N-O 2.73Å; L124-I139 PolarHBondContact O-N 2.86Å; L124-I146 HydrophobicContact CD2-CD1 3.81Å; L124-I146 HydrophobicContact CD2-CG2 4.26Å; L124-I146 HydrophobicContact CG-CD1 3.85Å; L124-A149 HydrophobicContact CD2-CB 3.5Å; L124-I158 HydrophobicContact CD1-CG2 4.24Å; L124-W169 HydrophobicContact CD1-CD2 4.47Å; L124-W169 HydrophobicContact CD1-CG 4.47Å; L124-W169 HydrophobicContact CD1-CZ2 4.34Å
125	R	98.6	Very high	97.1	Very high	8 Å²	8	48.8 Å²	48.8	3%	0.03	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.3	174.4	-63.7	-173.7	177.3	78.9	-0.6	111.2	H99 L116 T117 D121 L123 Y127 P136 K137 E138	H99-R125 PolarHBondContact ND1-NH1 3.43Å; H99-R125 VanDerWaalsContact ND1-NH1 3.12Å; L116-R125 CarbonylContact C-O 3.55Å; L116-R125 WeakPolarHBondContact CA-O 3.4Å; T117-R125 PolarHBondContact N-O 2.94Å; T117-R125 PolarHBondContact O-N 2.82Å; T117-R125 WeakPolarHBondContact OG1-CB 3.4Å; T117-R125 PolarHBondContact OG1-O 3.37Å; D121-R125 IonicContact OD1-NH1 3.89Å; D121-R125 IonicContact OD2-CZ 2.86Å; D121-R125 VanDerWaalsContact OD2-CZ 3.23Å; D121-R125 IonicContact OD2-NH1 3.54Å; D121-R125 PolarHBondContact OD2-NH1 3.02Å; D121-R125 IonicContact OD2-NH2 2.68Å; D121-R125 PolarHBondContact OD2-NH2 3.49Å; L123-R125 VanDerWaalsContact CD1-NH2 3.3Å; R125-Y127 HydrophobicContact CB-CD2 4.24Å; R125-Y127 HydrophobicContact CB-CE2 3.61Å; R125-Y127 WeakPolarHBondContact CD-OH 3.32Å; R125-P136 HydrophobicContact CB-CB 4.04Å; R125-P136 HydrophobicContact CB-CG 4.44Å; R125-P136 HydrophobicContact CG-CG 4.45Å; R125-K137 CarbonylContact C-O 3.58Å; R125-K137 VanDerWaalsContact CA-O 3.32Å; R125-K137 WeakPolarHBondContact CA-O 3.46Å; R125-E138 HydrophobicContact CG-CG 4.17Å; R125-E138 IonicContact CZ-OE1 3.81Å; R125-E138 VanDerWaalsContact CZ-OE1 3.3Å; R125-E138 IonicContact NE-OE1 3.6Å; R125-E138 PolarHBondContact NE-OE1 3.35Å; R125-E138 IonicContact NH2-OE1 3.21Å; R125-E138 PolarHBondContact NH2-OE1 2.79Å; R125-E138 VanDerWaalsContact NH2-OE1 3.08Å
126	I	98.6	Very high	97	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.7	176.2	-52.2	178.6	0	0	0	107.9	Y114 L115 L116 P136 K137 I139 W151 I158 M174	Y114-I126 HydrophobicContact CD1-CG2 3.79Å; Y114-I126 HydrophobicContact CG-CG2 4.14Å; L115-I126 WeakPolarHBondContact O-CA 3.21Å; L116-I126 HydrophobicContact CD1-CG1 4.05Å; I126-P136 WeakPolarHBondContact O-CA 3.21Å; I126-P136 WeakPolarHBondContact O-CB 3.1Å; I126-K137 HydrophobicContact CB-CB 4.38Å; I126-K137 PolarHBondContact N-O 2.97Å; I126-K137 PolarHBondContact O-N 3.42Å; I126-I139 HydrophobicContact CD1-CD1 4.37Å; I126-W151 HydrophobicContact CD1-CH2 3.83Å; I126-W151 HydrophobicContact CD1-CZ2 4.38Å; I126-W151 HydrophobicContact CG1-CH2 4.36Å; I126-W151 HydrophobicContact CG1-CZ2 4.42Å; I126-W151 HydrophobicContact CG2-CH2 4Å; I126-W151 HydrophobicContact CG2-CZ2 3.96Å; I126-I158 HydrophobicContact CD1-CD1 3.59Å; I126-I158 HydrophobicContact CG1-CD1 4.38Å; I126-M174 HydrophobicContact CD1-CE 3.49Å; I126-M174 VanDerWaalsContact CD1-CE 3.49Å; I126-M174 HydrophobicContact CD1-SD 3.91Å; I126-M174 HydrophobicContact CG1-CE 4.25Å
127	Y	98.4	Very high	97	Very high	22 Å²	22	54.8 Å²	54.8	9%	0.086	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.6	177.8	-66.3	-93.2	0	0	0	109.8	L97 H99 Y114 L115 T117 R125 L129 P136	L97-Y127 HydrophobicContact CB-CE1 4.15Å; L97-Y127 HydrophobicContact CB-CE2 4.42Å; L97-Y127 HydrophobicContact CD1-CD1 4.11Å; L97-Y127 HydrophobicContact CD1-CD2 3.79Å; L97-Y127 HydrophobicContact CD1-CE1 4.4Å; L97-Y127 HydrophobicContact CD1-CE2 4.1Å; L97-Y127 HydrophobicContact CD1-CG 3.8Å; L97-Y127 HydrophobicContact CD2-CD1 3.75Å; L97-Y127 HydrophobicContact CD2-CE1 3.99Å; L97-Y127 HydrophobicContact CD2-CG 4.24Å; L97-Y127 HydrophobicContact CG-CD1 4.36Å; L97-Y127 HydrophobicContact CG-CE1 4.4Å; H99-Y127 AromaticContact NE2-CE2 3.96Å; H99-Y127 PolarHBondContact NE2-OH 2.94Å; Y114-Y127 WeakPolarHBondContact CA-O 3.34Å; L115-Y127 PolarHBondContact N-O 3.2Å; L115-Y127 PolarHBondContact O-N 2.59Å; T117-Y127 HydrophobicContact CG2-CD2 4.09Å; T117-Y127 HydrophobicContact CG2-CE2 4Å; T117-Y127 WeakPolarHBondContact OG1-CE2 3.31Å; R125-Y127 HydrophobicContact CB-CD2 4.24Å; R125-Y127 HydrophobicContact CB-CE2 3.61Å; R125-Y127 WeakPolarHBondContact CD-OH 3.32Å; Y127-L129 PolarHBondContact O-N 2.8Å; Y127-P136 HydrophobicContact CD1-CB 3.74Å; Y127-P136 HydrophobicContact CD1-CG 4.21Å; Y127-P136 HydrophobicContact CD2-CB 4.24Å; Y127-P136 HydrophobicContact CE1-CB 3.64Å; Y127-P136 HydrophobicContact CE1-CG 3.62Å; Y127-P136 HydrophobicContact CE2-CB 4.14Å; Y127-P136 HydrophobicContact CG-CB 4.05Å
128	D	97.6	Very high	96.9	Very high	30 Å²	30	59.6 Å²	59.6	16%	0.16	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	108	169.4	-177	-14.7	0	0	0	108.4	Y114 N130 K131	Y114-D128 HydrophobicContact CD1-CB 4.07Å; Y114-D128 HydrophobicContact CE1-CB 3.78Å; D128-N130 PolarHBondContact O-N 2.88Å; D128-N130 WeakPolarHBondContact OD1-CB 3.48Å; D128-N130 PolarHBondContact OD1-N 3.44Å; D128-K131 HydrophobicContact CB-CB 4.25Å; D128-K131 CarbonylContact O-C 3.48Å; D128-K131 PolarHBondContact O-N 2.66Å; D128-K131 WeakPolarHBondContact OD2-CD 3.47Å; D128-K131 IonicContact OD2-NZ 3.32Å
129	L	96.4	Very high	96.9	Very high	14 Å²	14	59.9 Å²	59.9	7%	0.073	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.2	-176.1	-58.4	179.8	0	0	0	112.8	V85 M95 F108 S112 N113 L115 Y127	V85-L129 HydrophobicContact CG2-CD2 4.13Å; M95-L129 HydrophobicContact CE-CB 4Å; M95-L129 HydrophobicContact CE-CD2 3.49Å; M95-L129 VanDerWaalsContact CE-CD2 3.49Å; M95-L129 HydrophobicContact CE-CG 4.29Å; M95-L129 HydrophobicContact SD-CD2 4.16Å; F108-L129 HydrophobicContact CD1-CD1 3.89Å; F108-L129 HydrophobicContact CE1-CD1 3.66Å; S112-L129 WeakPolarHBondContact O-CD1 3.22Å; N113-L129 WeakPolarHBondContact O-CB 3.17Å; N113-L129 PolarHBondContact O-N 2.89Å; L115-L129 HydrophobicContact CB-CD1 4.16Å; L115-L129 HydrophobicContact CB-CD2 3.83Å; L115-L129 HydrophobicContact CB-CG 4.22Å; Y127-L129 PolarHBondContact O-N 2.8Å
130	N	96.1	Very high	96.8	Very high	104 Å²	104	64.2 Å²	64.2	56%	0.556	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-9.5	172	-59.9	-59.9	0	0	0	112.4	N113 D128	N113-N130 PolarHBondContact OD1-ND2 2.83Å; D128-N130 PolarHBondContact O-N 2.88Å; D128-N130 WeakPolarHBondContact OD1-CB 3.48Å; D128-N130 PolarHBondContact OD1-N 3.44Å
131	K	95.4	Very high	96.7	Very high	130 Å²	130	63 Å²	63	57%	0.565	33%	0.331	S	S	*	.			trans	-135.6	68	179.7	-61.9	179.6	-167	146.9	0	110.3	D128 E133 A134	D128-K131 HydrophobicContact CB-CB 4.25Å; D128-K131 CarbonylContact O-C 3.48Å; D128-K131 PolarHBondContact O-N 2.66Å; D128-K131 WeakPolarHBondContact OD2-CD 3.47Å; D128-K131 IonicContact OD2-NZ 3.32Å; K131-E133 PolarHBondContact O-N 2.75Å; K131-E133 VanDerWaalsContact O-N 3.08Å; K131-A134 HydrophobicContact CB-CB 4.03Å; K131-A134 WeakPolarHBondContact O-CB 3.44Å; K131-A134 PolarHBondContact O-N 2.98Å
132	P	90.4	Very high	96.7	Very high	78 Å²	78	62.1 Å²	62.1	51%	0.506	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.8	-173.7	24.3	-35.2	0	0	0	114.2	M95 A134	M95-P132 HydrophobicContact CG-CB 4.43Å; M95-P132 HydrophobicContact SD-CB 3.77Å; P132-A134 VanDerWaalsContact C-N 3.32Å
133	E	92.3	Very high	96.6	Very high	185 Å²	185	62.2 Å²	62.2	86%	0.864	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.3	178.1	-58.1	-62.1	157.8	0	0	113.6	K131	K131-E133 PolarHBondContact O-N 2.75Å; K131-E133 VanDerWaalsContact O-N 3.08Å
134	A	95.3	Very high	96.6	Very high	51 Å²	51	62.4 Å²	62.4	42%	0.421	34%	0.339	S	S	.	.	S	Bend	trans	-79.5	140	179.8	0	0	0	0	0	111	K131 P132	K131-A134 HydrophobicContact CB-CB 4.03Å; K131-A134 WeakPolarHBondContact O-CB 3.44Å; K131-A134 PolarHBondContact O-N 2.98Å; P132-A134 VanDerWaalsContact C-N 3.32Å
135	E	96.1	Very high	96.5	Very high	177 Å²	177	63 Å²	63	83%	0.827	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-59.5	137.7	171.3	-69.4	-68.6	164.9	0	0	110.5
136	P	97.4	Very high	96.5	Very high	22 Å²	22	62.6 Å²	62.6	14%	0.143	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-67.7	151.1	178.7	28.2	-33.8	0	0	0	110.8	R125 I126 Y127	R125-P136 HydrophobicContact CB-CB 4.04Å; R125-P136 HydrophobicContact CB-CG 4.44Å; R125-P136 HydrophobicContact CG-CG 4.45Å; I126-P136 WeakPolarHBondContact O-CA 3.21Å; I126-P136 WeakPolarHBondContact O-CB 3.1Å; Y127-P136 HydrophobicContact CD1-CB 3.74Å; Y127-P136 HydrophobicContact CD1-CG 4.21Å; Y127-P136 HydrophobicContact CD2-CB 4.24Å; Y127-P136 HydrophobicContact CE1-CB 3.64Å; Y127-P136 HydrophobicContact CE1-CG 3.62Å; Y127-P136 HydrophobicContact CE2-CB 4.14Å; Y127-P136 HydrophobicContact CG-CB 4.05Å
137	K	97.7	Very high	96.5	Very high	105 Å²	105	65.3 Å²	65.3	46%	0.457	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.8	166.3	-55.8	178.3	-178.2	172.4	0	108.6	R125 I126 M174	R125-K137 CarbonylContact C-O 3.58Å; R125-K137 VanDerWaalsContact CA-O 3.32Å; R125-K137 WeakPolarHBondContact CA-O 3.46Å; I126-K137 HydrophobicContact CB-CB 4.38Å; I126-K137 PolarHBondContact N-O 2.97Å; I126-K137 PolarHBondContact O-N 3.42Å; K137-M174 HydrophobicContact CB-CE 3.38Å; K137-M174 HydrophobicContact CD-CE 3.9Å; K137-M174 HydrophobicContact CG-CE 4.29Å
138	E	97.9	Very high	96.5	Very high	101 Å²	101	65.6 Å²	65.6	47%	0.472	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.9	179.8	-54.6	-162.3	137.6	0	0	111.2	L124 R125	L124-E138 CarbonylContact O-C 3.59Å; L124-E138 WeakPolarHBondContact O-CA 3.44Å; R125-E138 HydrophobicContact CG-CG 4.17Å; R125-E138 IonicContact CZ-OE1 3.81Å; R125-E138 VanDerWaalsContact CZ-OE1 3.3Å; R125-E138 IonicContact NE-OE1 3.6Å; R125-E138 PolarHBondContact NE-OE1 3.35Å; R125-E138 IonicContact NH2-OE1 3.21Å; R125-E138 PolarHBondContact NH2-OE1 2.79Å; R125-E138 VanDerWaalsContact NH2-OE1 3.08Å
139	I	98.3	Very high	96.5	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.031	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.6	169.8	-46.7	175	0	0	0	108.2	L124 I126 I158 W169 M174	L124-I139 HydrophobicContact CB-CB 4.11Å; L124-I139 HydrophobicContact CD1-CB 4.41Å; L124-I139 PolarHBondContact N-O 2.73Å; L124-I139 PolarHBondContact O-N 2.86Å; I126-I139 HydrophobicContact CD1-CD1 4.37Å; I139-I158 HydrophobicContact CD1-CD1 3.93Å; I139-W169 HydrophobicContact CG2-CD2 3.89Å; I139-W169 HydrophobicContact CG2-CE3 3.36Å; I139-W169 HydrophobicContact CG2-CH2 4.17Å; I139-W169 HydrophobicContact CG2-CZ3 3.52Å; I139-M174 HydrophobicContact CD1-CE 3.78Å; I139-M174 HydrophobicContact CD1-SD 3.72Å; I139-M174 HydrophobicContact CG1-CB 4.34Å; I139-M174 HydrophobicContact CG1-CE 3.5Å; I139-M174 HydrophobicContact CG1-SD 3.97Å
140	S	96.9	Very high	96.6	Very high	91 Å²	91	64.5 Å²	64.5	64%	0.636	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.8	177.9	65.5	0	0	0	0	111.5
141	G	95.2	Very high	96.7	Very high	33 Å²	33	59.9 Å²	59.9	34%	0.34	33%	0.326	S	S	.	.			trans	159.9	-20.6	169.1	0	0	0	0	0	114.1	R167	G141-R167 VanDerWaalsContact O-CZ 3.28Å; G141-R167 PolarHBondContact O-NH1 2.84Å; G141-R167 PolarHBondContact O-NH2 2.75Å
142	H	97.2	Very high	96.8	Very high	13 Å²	13	53.8 Å²	53.8	6%	0.06	30%	0.3	C	S	.	.			trans	-65.2	139.7	170.1	-81.3	-69.6	0	0	0	112	K122 I146 S160 D162 T165 W169	K122-H142 HydrophobicContact CB-CB 4.41Å; H142-I146 HydrophobicContact CB-CG1 4.13Å; H142-S160 WeakPolarHBondContact NE2-CB 3.45Å; H142-S160 PolarHBondContact NE2-OG 2.79Å; H142-D162 IonicContact CE1-OD2 3.95Å; H142-D162 IonicContact CG-OD2 2.6Å; H142-D162 WeakPolarHBondContact ND1-CB 3.34Å; H142-D162 IonicContact ND1-OD2 2.93Å; H142-D162 PolarHBondContact ND1-OD2 2.79Å; H142-T165 PolarHBondContact ND1-OG1 2.7Å; H142-W169 AromaticContact CD2-CZ2 3.86Å; H142-W169 AromaticContact NE2-CZ2 3.91Å
143	T	95.9	Very high	97	Very high	96 Å²	96	51.2 Å²	51.2	59%	0.589	28%	0.284	S	S	*	.	S	Bend	trans	-98.7	-16.8	179.6	58.6	0	0	0	0	112.1	K122	K122-T143 WeakPolarHBondContact CD-O 3.42Å; K122-T143 WeakPolarHBondContact CE-O 3.5Å; K122-T143 PolarHBondContact NZ-O 2.94Å
144	S	97.7	Very high	97.1	Very high	41 Å²	41	47.7 Å²	47.7	29%	0.287	27%	0.267	S	S	.	.	S	Bend	trans	-121.8	167.9	176.2	-62.6	0	0	0	0	111.3	K122 I146	K122-S144 WeakPolarHBondContact CG-O 3.41Å; S144-I146 PolarHBondContact O-N 2.8Å
145	G	97.9	Very high	97.1	Very high	12 Å²	12	47 Å²	47	12%	0.124	26%	0.256	C	S	.	.			trans	-62.7	130.5	178.2	0	0	0	0	0	111.6	G119	G119-G145 CarbonylContact O-C 3.49Å
146	I	98.6	Very high	97.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.			trans	-67.9	133.5	179	-62.3	158.1	0	0	0	108.7	T105 G119 L123 L124 H142 S144 A149	T105-I146 HydrophobicContact CG2-CG2 4.14Å; G119-I146 PolarHBondContact O-N 3.1Å; L123-I146 VanDerWaalsContact C-CD1 3.48Å; L123-I146 WeakPolarHBondContact O-CD1 3.37Å; L124-I146 HydrophobicContact CD2-CD1 3.81Å; L124-I146 HydrophobicContact CD2-CG2 4.26Å; L124-I146 HydrophobicContact CG-CD1 3.85Å; H142-I146 HydrophobicContact CB-CG1 4.13Å; S144-I146 PolarHBondContact O-N 2.8Å; I146-A149 HydrophobicContact CG2-CB 4.42Å
147	K	98	Very high	97.2	Very high	61 Å²	61	45.1 Å²	45.1	27%	0.265	24%	0.243	S	C	.	.			trans	-101.4	-44.5	-179.6	-64.6	-174.8	-176.4	-179.2	0	112.3	A161 D163 S185 V186	K147-A161 PolarHBondContact N-O 3.4Å; K147-D163 IonicContact NZ-OD1 2.77Å; K147-S185 PolarHBondContact NZ-OG 2.6Å; K147-V186 WeakPolarHBondContact CD-O 3.43Å; K147-V186 PolarHBondContact NZ-O 2.96Å
148	K	98.3	Very high	97.2	Very high	28 Å²	28	40.1 Å²	40.1	12%	0.122	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	143.6	178.5	-160.9	76.2	177.7	-172.4	0	109.4	D19 L150 S160 A161 M189	D19-K148 VanDerWaalsContact CG-NZ 3.27Å; D19-K148 IonicContact OD1-NZ 3.08Å; D19-K148 PolarHBondContact OD1-NZ 2.78Å; D19-K148 IonicContact OD2-NZ 2.95Å; D19-K148 PolarHBondContact OD2-NZ 2.52Å; K148-L150 HydrophobicContact CG-CD2 4.43Å; K148-L150 HydrophobicContact CG-CG 4.31Å; K148-S160 CarbonylContact O-C 3.55Å; K148-S160 WeakPolarHBondContact O-CA 3.29Å; K148-A161 PolarHBondContact N-O 2.89Å; K148-A161 PolarHBondContact O-N 3.47Å; K148-M189 HydrophobicContact CB-CB 4.32Å; K148-M189 HydrophobicContact CB-CE 4.39Å; K148-M189 HydrophobicContact CG-CB 4.38Å; K148-M189 HydrophobicContact CG-CE 4.44Å
149	A	98.5	Very high	97.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.2	171.7	0	0	0	0	0	108.8	T105 L116 L124 I146 L159	T105-A149 HydrophobicContact CG2-CB 3.6Å; T105-A149 PolarHBondContact OG1-N 2.81Å; T105-A149 PolarHBondContact OG1-O 3.06Å; L116-A149 HydrophobicContact CD2-CB 3.78Å; L116-A149 HydrophobicContact CG-CB 4.22Å; L124-A149 HydrophobicContact CD2-CB 3.5Å; I146-A149 HydrophobicContact CG2-CB 4.42Å; A149-L159 CarbonylContact C-O 3.49Å; A149-L159 WeakPolarHBondContact CA-O 3.09Å
150	L	98.4	Very high	97.3	Very high	20 Å²	20	35 Å²	35	11%	0.105	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.8	-170.9	-60.2	172.2	0	0	0	109.7	D107 K148 I158 L159 M189	D107-L150 VanDerWaalsContact OD2-CA 3.31Å; D107-L150 WeakPolarHBondContact OD2-CA 3.42Å; K148-L150 HydrophobicContact CG-CD2 4.43Å; K148-L150 HydrophobicContact CG-CG 4.31Å; L150-I158 WeakPolarHBondContact O-CA 3.19Å; L150-L159 PolarHBondContact N-O 2.75Å; L150-L159 PolarHBondContact O-N 2.68Å; L150-M189 HydrophobicContact CB-CE 4.42Å; L150-M189 HydrophobicContact CD1-CE 3.96Å; L150-M189 HydrophobicContact CD1-CG 4.4Å; L150-M189 HydrophobicContact CG-CE 4.04Å
151	W	98.3	Very high	97.3	Very high	8 Å²	8	30.8 Å²	30.8	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	147	164	-64.8	98.6	0	0	0	110.5	D107 F108 T109 L116 I126 D155 I158 H171 Y191	D107-W151 PolarHBondContact O-NE1 3.13Å; D107-W151 PolarHBondContact OD2-N 2.91Å; F108-W151 VanDerWaalsContact C-CD1 3.44Å; F108-W151 VanDerWaalsContact O-CD1 3.27Å; T109-W151 HydrophobicContact CG2-CD2 3.69Å; T109-W151 HydrophobicContact CG2-CE3 4.06Å; T109-W151 HydrophobicContact CG2-CG 4.22Å; T109-W151 HydrophobicContact CG2-CH2 3.86Å; T109-W151 HydrophobicContact CG2-CZ2 3.52Å; T109-W151 HydrophobicContact CG2-CZ3 4.13Å; L116-W151 HydrophobicContact CB-CZ2 3.99Å; L116-W151 VanDerWaalsContact CB-NE1 3.28Å; I126-W151 HydrophobicContact CD1-CH2 3.83Å; I126-W151 HydrophobicContact CD1-CZ2 4.38Å; I126-W151 HydrophobicContact CG1-CH2 4.36Å; I126-W151 HydrophobicContact CG1-CZ2 4.42Å; I126-W151 HydrophobicContact CG2-CH2 4Å; I126-W151 HydrophobicContact CG2-CZ2 3.96Å; W151-D155 WeakPolarHBondContact CB-OD1 3.42Å; W151-D155 HydrophobicContact CE3-CB 4.12Å; W151-D155 WeakPolarHBondContact CZ3-O 3.43Å; W151-I158 HydrophobicContact CD2-CG1 4.33Å; W151-I158 HydrophobicContact CE3-CD1 4.34Å; W151-I158 HydrophobicContact CE3-CG1 3.73Å; W151-I158 HydrophobicContact CH2-CD1 4.14Å; W151-I158 HydrophobicContact CH2-CG1 4.41Å; W151-I158 HydrophobicContact CZ3-CD1 3.93Å; W151-I158 HydrophobicContact CZ3-CG1 3.8Å; W151-H171 AromaticContact CH2-CE1 3.53Å; W151-H171 AromaticContact CH2-ND1 3.48Å; W151-H171 WeakPolarHBondContact CH2-ND1 3.28Å; W151-H171 HydrophobicContact CZ3-CB 4.15Å; W151-H171 AromaticContact CZ3-CE1 3.82Å; W151-H171 AromaticContact CZ3-CG 3.62Å; W151-H171 AromaticContact CZ3-ND1 3.42Å; W151-H171 WeakPolarHBondContact CZ3-ND1 3.46Å; W151-Y191 WeakPolarHBondContact O-CD1 3.49Å
152	C	97.3	Very high	97.4	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	170	173.1	66.9	0	0	0	0	111.8	D155 K156 Q157 L159 Y191	C152-D155 PolarHBondContact O-N 2.88Å; C152-K156 PolarHBondContact O-N 3.47Å; C152-Q157 PolarHBondContact N-O 3.11Å; C152-Q157 PolarHBondContact O-N 3.15Å; C152-Q157 VanDerWaalsContact O-N 3.12Å; C152-Q157 WeakPolarHBondContact SG-CB 3.32Å; C152-L159 HydrophobicContact CB-CD1 4Å; C152-L159 HydrophobicContact CB-CG 4.45Å; C152-Y191 HydrophobicContact CB-CD1 4.02Å; C152-Y191 HydrophobicContact CB-CD2 3.93Å; C152-Y191 HydrophobicContact CB-CE1 3.8Å; C152-Y191 HydrophobicContact CB-CE2 3.7Å; C152-Y191 HydrophobicContact CB-CG 4.07Å
153	S	94.4	Very high	97.3	Very high	24 Å²	24	31.3 Å²	31.3	17%	0.168	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	49.1	176.6	-155.2	0	0	0	0	113.1	D155 K156 Y191	S153-D155 PolarHBondContact O-N 3.28Å; S153-K156 WeakPolarHBondContact O-CB 3.26Å; S153-K156 WeakPolarHBondContact O-CG 3.34Å; S153-K156 PolarHBondContact O-N 3.18Å; S153-Y191 PolarHBondContact N-OH 3.02Å; S153-Y191 VanDerWaalsContact N-OH 3.11Å
154	E	93.6	Very high	97.3	Very high	111 Å²	111	31.5 Å²	31.5	52%	0.519	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	51.3	-173.9	-56.1	-64.5	148.4	0	0	111.8	Q110 K156	Q110-E154 PolarHBondContact NE2-OE2 2.89Å; E154-K156 PolarHBondContact O-N 2.99Å
155	D	95.9	Very high	97.3	Very high	36 Å²	36	29.9 Å²	29.9	19%	0.193	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	9.3	179.9	-53.4	-35.5	0	0	0	116.1	T109 Q110 W151 C152 S153 Q157	T109-D155 WeakPolarHBondContact CB-OD2 3.35Å; T109-D155 HydrophobicContact CG2-CB 4.07Å; Q110-D155 WeakPolarHBondContact CB-OD2 3.36Å; Q110-D155 PolarHBondContact N-OD1 3.36Å; Q110-D155 PolarHBondContact N-OD2 2.91Å; W151-D155 WeakPolarHBondContact CB-OD1 3.42Å; W151-D155 HydrophobicContact CE3-CB 4.12Å; W151-D155 WeakPolarHBondContact CZ3-O 3.43Å; C152-D155 PolarHBondContact O-N 2.88Å; S153-D155 PolarHBondContact O-N 3.28Å; D155-Q157 VanDerWaalsContact C-N 3.33Å
156	K	96.5	Very high	97.3	Very high	137 Å²	137	29.3 Å²	29.3	60%	0.596	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-20.2	177.9	-64.9	171.8	-172.2	161.7	0	113.1	C152 S153 E154 H171	C152-K156 PolarHBondContact O-N 3.47Å; S153-K156 WeakPolarHBondContact O-CB 3.26Å; S153-K156 WeakPolarHBondContact O-CG 3.34Å; S153-K156 PolarHBondContact O-N 3.18Å; E154-K156 PolarHBondContact O-N 2.99Å; K156-H171 WeakPolarHBondContact O-CB 3.44Å; K156-H171 PolarHBondContact O-N 2.88Å
157	Q	97.8	Very high	97.3	Very high	23 Å²	23	31 Å²	31	11%	0.107	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	159.2	-176.3	-71	-176.9	-29.3	0	0	111	C152 D155 L168 W169	C152-Q157 PolarHBondContact N-O 3.11Å; C152-Q157 PolarHBondContact O-N 3.15Å; C152-Q157 VanDerWaalsContact O-N 3.12Å; C152-Q157 WeakPolarHBondContact SG-CB 3.32Å; D155-Q157 VanDerWaalsContact C-N 3.33Å; Q157-L168 HydrophobicContact CB-CD1 3.87Å; Q157-L168 HydrophobicContact CG-CD1 4.32Å; Q157-W169 VanDerWaalsContact CA-O 3.27Å; Q157-W169 WeakPolarHBondContact CA-O 3.29Å
158	I	98.7	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.9	177.1	-63.1	163.9	0	0	0	108.1	L116 L124 I126 I139 L150 W151 L168 W169	L116-I158 HydrophobicContact CD1-CD1 4.28Å; L116-I158 HydrophobicContact CD1-CG2 4.32Å; L116-I158 HydrophobicContact CD2-CG1 4.42Å; L116-I158 HydrophobicContact CD2-CG2 3.58Å; L124-I158 HydrophobicContact CD1-CG2 4.24Å; I126-I158 HydrophobicContact CD1-CD1 3.59Å; I126-I158 HydrophobicContact CG1-CD1 4.38Å; I139-I158 HydrophobicContact CD1-CD1 3.93Å; L150-I158 WeakPolarHBondContact O-CA 3.19Å; W151-I158 HydrophobicContact CD2-CG1 4.33Å; W151-I158 HydrophobicContact CE3-CD1 4.34Å; W151-I158 HydrophobicContact CE3-CG1 3.73Å; W151-I158 HydrophobicContact CH2-CD1 4.14Å; W151-I158 HydrophobicContact CH2-CG1 4.41Å; W151-I158 HydrophobicContact CZ3-CD1 3.93Å; W151-I158 HydrophobicContact CZ3-CG1 3.8Å; I158-L168 CarbonylContact O-C 3.58Å; I158-L168 WeakPolarHBondContact O-CA 3.22Å; I158-W169 HydrophobicContact CB-CB 4.26Å; I158-W169 PolarHBondContact N-O 3.5Å; I158-W169 VanDerWaalsContact O-CD1 3.28Å; I158-W169 PolarHBondContact O-N 3.06Å
159	L	98.7	Very high	97.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.3	168.4	-71.5	166.2	0	0	0	109	A149 L150 C152 R167 L168 M189 L198 A211 L214	A149-L159 CarbonylContact C-O 3.49Å; A149-L159 WeakPolarHBondContact CA-O 3.09Å; L150-L159 PolarHBondContact N-O 2.75Å; L150-L159 PolarHBondContact O-N 2.68Å; C152-L159 HydrophobicContact CB-CD1 4Å; C152-L159 HydrophobicContact CB-CG 4.45Å; L159-R167 WeakPolarHBondContact CA-O 3.27Å; L159-L168 HydrophobicContact CD2-CB 4.3Å; L159-L168 HydrophobicContact CD2-CD1 3.7Å; L159-L168 HydrophobicContact CG-CD1 4.18Å; L159-M189 HydrophobicContact CB-CE 3.75Å; L159-M189 HydrophobicContact CB-SD 4.1Å; L159-L198 HydrophobicContact CD1-CD1 3.72Å; L159-L198 HydrophobicContact CD1-CD2 4.02Å; L159-L198 HydrophobicContact CD1-CG 4.29Å; L159-L198 HydrophobicContact CD2-CD2 3.78Å; L159-L198 HydrophobicContact CG-CD2 4.49Å; L159-A211 HydrophobicContact CD1-CB 4.1Å; L159-L214 HydrophobicContact CD2-CD2 3.7Å
160	S	98.6	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.7	173.2	63.6	0	0	0	0	112.7	H142 K148 V166 R167 W169	H142-S160 WeakPolarHBondContact NE2-CB 3.45Å; H142-S160 PolarHBondContact NE2-OG 2.79Å; K148-S160 CarbonylContact O-C 3.55Å; K148-S160 WeakPolarHBondContact O-CA 3.29Å; S160-V166 CarbonylContact O-C 3.59Å; S160-V166 VanDerWaalsContact O-CA 3.31Å; S160-V166 WeakPolarHBondContact O-CA 3.31Å; S160-R167 PolarHBondContact N-O 3.34Å; S160-R167 PolarHBondContact O-N 2.88Å; S160-W169 PolarHBondContact OG-NE1 2.9Å
161	A	98.3	Very high	97.2	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.8	-179.7	0	0	0	0	0	110.6	K147 K148 T165 V166 V186 M189	K147-A161 PolarHBondContact N-O 3.4Å; K148-A161 PolarHBondContact N-O 2.89Å; K148-A161 PolarHBondContact O-N 3.47Å; A161-T165 WeakPolarHBondContact CA-O 3.32Å; A161-V166 HydrophobicContact CB-CG2 3.95Å; A161-V186 HydrophobicContact CB-CG1 4.1Å; A161-M189 HydrophobicContact CB-CE 4.48Å; A161-M189 HydrophobicContact CB-SD 4.09Å
162	D	96.8	Very high	97	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.176	C	C	.	.			trans	-108.8	-146	166.6	70.6	15.3	0	0	0	111.5	H142 K164 T165	H142-D162 IonicContact CE1-OD2 3.95Å; H142-D162 IonicContact CG-OD2 2.6Å; H142-D162 WeakPolarHBondContact ND1-CB 3.34Å; H142-D162 IonicContact ND1-OD2 2.93Å; H142-D162 PolarHBondContact ND1-OD2 2.79Å; D162-K164 PolarHBondContact OD1-N 2.75Å; D162-T165 PolarHBondContact N-O 3.28Å; D162-T165 WeakPolarHBondContact OD1-CA 3.49Å; D162-T165 WeakPolarHBondContact OD1-CB 3.19Å; D162-T165 PolarHBondContact OD1-N 2.87Å; D162-T165 PolarHBondContact OD1-OG1 3.21Å; D162-T165 PolarHBondContact OD2-OG1 3.46Å
163	D	94.6	Very high	97	Very high	55 Å²	55	37.6 Å²	37.6	29%	0.294	20%	0.2	S	C	.	.	S	Bend	trans	-63.7	-52.3	177	-172.5	39.1	0	0	0	111.9	K147 S185 V186	K147-D163 IonicContact NZ-OD1 2.77Å; D163-S185 CarbonylContact O-C 3.49Å; D163-S185 WeakPolarHBondContact O-CA 3.49Å; D163-S185 VanDerWaalsContact OD1-CB 3.32Å; D163-S185 WeakPolarHBondContact OD1-CB 3.32Å; D163-S185 PolarHBondContact OD1-OG 2.85Å; D163-V186 PolarHBondContact O-N 2.98Å
164	K	96.1	Very high	97.1	Very high	100 Å²	100	38.5 Å²	38.5	44%	0.435	20%	0.201	S	C	.	.	S	Bend	trans	-128.9	2.8	-170.4	-69.5	-175	-178.1	-175.9	0	113.7	D162 N181 F182	D162-K164 PolarHBondContact OD1-N 2.75Å; K164-N181 CarbonylContact O-C 3.57Å; K164-N181 WeakPolarHBondContact O-CA 3.38Å; K164-F182 PolarHBondContact O-N 2.86Å
165	T	98.1	Very high	97.3	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.8	-178.6	70.4	0	0	0	0	111.5	H142 A161 D162 L180 N181	H142-T165 PolarHBondContact ND1-OG1 2.7Å; A161-T165 WeakPolarHBondContact CA-O 3.32Å; D162-T165 PolarHBondContact N-O 3.28Å; D162-T165 WeakPolarHBondContact OD1-CA 3.49Å; D162-T165 WeakPolarHBondContact OD1-CB 3.19Å; D162-T165 PolarHBondContact OD1-N 2.87Å; D162-T165 PolarHBondContact OD1-OG1 3.21Å; D162-T165 PolarHBondContact OD2-OG1 3.46Å; T165-L180 WeakPolarHBondContact CA-O 3.25Å; T165-N181 WeakPolarHBondContact CG2-OD1 3.46Å
166	V	98.5	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.5	163.6	172.2	0	0	0	0	106.8	S160 A161 S179 L180 F182 V186 M189 L198 I200 L214	S160-V166 CarbonylContact O-C 3.59Å; S160-V166 VanDerWaalsContact O-CA 3.31Å; S160-V166 WeakPolarHBondContact O-CA 3.31Å; A161-V166 HydrophobicContact CB-CG2 3.95Å; V166-S179 CarbonylContact O-C 3.54Å; V166-S179 VanDerWaalsContact O-CA 3.32Å; V166-S179 WeakPolarHBondContact O-CA 3.47Å; V166-L180 HydrophobicContact CB-CB 4.41Å; V166-L180 PolarHBondContact N-O 3.25Å; V166-L180 VanDerWaalsContact N-O 3.08Å; V166-L180 PolarHBondContact O-N 2.61Å; V166-F182 HydrophobicContact CB-CE2 3.97Å; V166-F182 HydrophobicContact CG2-CD2 4.46Å; V166-F182 HydrophobicContact CG2-CE2 3.65Å; V166-F182 HydrophobicContact CG2-CZ 4.33Å; V166-V186 HydrophobicContact CG2-CG1 4.32Å; V166-V186 HydrophobicContact CG2-CG2 4.21Å; V166-M189 HydrophobicContact CG1-SD 4.06Å; V166-L198 HydrophobicContact CG1-CD2 4.1Å; V166-I200 HydrophobicContact CB-CD1 4.49Å; V166-I200 HydrophobicContact CG1-CD1 4.29Å; V166-I200 HydrophobicContact CG2-CD1 4.19Å; V166-I200 HydrophobicContact CG2-CG2 4.32Å; V166-L214 HydrophobicContact CG1-CD2 4.44Å
167	R	98.6	Very high	97.4	Very high	34 Å²	34	35.9 Å²	35.9	13%	0.128	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.1	-175.1	-58.2	-170.9	178.8	-134.8	3.5	110	G141 L159 S160 W169 E176	G141-R167 VanDerWaalsContact O-CZ 3.28Å; G141-R167 PolarHBondContact O-NH1 2.84Å; G141-R167 PolarHBondContact O-NH2 2.75Å; L159-R167 WeakPolarHBondContact CA-O 3.27Å; S160-R167 PolarHBondContact N-O 3.34Å; S160-R167 PolarHBondContact O-N 2.88Å; R167-W169 HydrophobicContact CB-CZ2 3.72Å; R167-W169 VanDerWaalsContact CD-CZ2 3.4Å; R167-W169 HydrophobicContact CG-CZ2 4.17Å; R167-E176 IonicContact CZ-OE2 3.68Å; R167-E176 IonicContact NH1-OE1 2.68Å; R167-E176 IonicContact NH1-OE2 3.98Å; R167-E176 PolarHBondContact NH1-OE2 2.94Å
168	L	98.6	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.4	171.8	178.6	69.6	0	0	0	108.2	Q157 I158 L159 V177 K178 A211 V212 L214	Q157-L168 HydrophobicContact CB-CD1 3.87Å; Q157-L168 HydrophobicContact CG-CD1 4.32Å; I158-L168 CarbonylContact O-C 3.58Å; I158-L168 WeakPolarHBondContact O-CA 3.22Å; L159-L168 HydrophobicContact CD2-CB 4.3Å; L159-L168 HydrophobicContact CD2-CD1 3.7Å; L159-L168 HydrophobicContact CG-CD1 4.18Å; L168-V177 HydrophobicContact CB-CB 4.49Å; L168-V177 HydrophobicContact CD2-CB 4.14Å; L168-V177 HydrophobicContact CD2-CG1 4.04Å; L168-V177 HydrophobicContact CG-CB 4.15Å; L168-V177 PolarHBondContact O-N 3.24Å; L168-K178 PolarHBondContact N-O 3.03Å; L168-K178 PolarHBondContact O-N 2.86Å; L168-A211 WeakPolarHBondContact CD1-O 3.38Å; L168-V212 WeakPolarHBondContact CD2-O 3.47Å; L168-L214 HydrophobicContact CB-CD1 3.64Å; L168-L214 HydrophobicContact CB-CG 3.92Å; L168-L214 HydrophobicContact CD2-CG 4.36Å
169	W	98.6	Very high	97.4	Very high	6 Å²	6	40.1 Å²	40.1	2%	0.023	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.6	-179	-42.9	83.6	0	0	0	110	L124 I139 H142 Q157 I158 S160 R167 T175 E176	L124-W169 HydrophobicContact CD1-CD2 4.47Å; L124-W169 HydrophobicContact CD1-CG 4.47Å; L124-W169 HydrophobicContact CD1-CZ2 4.34Å; I139-W169 HydrophobicContact CG2-CD2 3.89Å; I139-W169 HydrophobicContact CG2-CE3 3.36Å; I139-W169 HydrophobicContact CG2-CH2 4.17Å; I139-W169 HydrophobicContact CG2-CZ3 3.52Å; H142-W169 AromaticContact CD2-CZ2 3.86Å; H142-W169 AromaticContact NE2-CZ2 3.91Å; Q157-W169 VanDerWaalsContact CA-O 3.27Å; Q157-W169 WeakPolarHBondContact CA-O 3.29Å; I158-W169 HydrophobicContact CB-CB 4.26Å; I158-W169 PolarHBondContact N-O 3.5Å; I158-W169 VanDerWaalsContact O-CD1 3.28Å; I158-W169 PolarHBondContact O-N 3.06Å; S160-W169 PolarHBondContact OG-NE1 2.9Å; R167-W169 HydrophobicContact CB-CZ2 3.72Å; R167-W169 VanDerWaalsContact CD-CZ2 3.4Å; R167-W169 HydrophobicContact CG-CZ2 4.17Å; W169-T175 WeakPolarHBondContact CA-O 3.2Å; W169-E176 HydrophobicContact CE3-CB 3.81Å; W169-E176 HydrophobicContact CZ3-CB 3.78Å
170	D	97.4	Very high	97.3	Very high	44 Å²	44	41.5 Å²	41.5	24%	0.235	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127	169	-176.9	-82.7	0	0	0	109.1	A172 T173 M174 T175 V177	D170-A172 WeakPolarHBondContact OD1-CA 3.31Å; D170-A172 WeakPolarHBondContact OD1-CB 3.19Å; D170-A172 PolarHBondContact OD1-N 2.93Å; D170-T173 WeakPolarHBondContact CB-OG1 3.38Å; D170-T173 PolarHBondContact OD1-N 2.83Å; D170-T173 PolarHBondContact OD1-OG1 3.35Å; D170-M174 WeakPolarHBondContact O-CA 3.44Å; D170-M174 PolarHBondContact O-N 3.25Å; D170-T175 PolarHBondContact N-O 2.77Å; D170-V177 HydrophobicContact CB-CG2 3.82Å
171	H	95.6	Very high	97.3	Very high	35 Å²	35	47.7 Å²	47.7	16%	0.162	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-31.9	-177.7	176	56.1	0	0	0	112.7	W151 K156	W151-H171 AromaticContact CH2-CE1 3.53Å; W151-H171 AromaticContact CH2-ND1 3.48Å; W151-H171 WeakPolarHBondContact CH2-ND1 3.28Å; W151-H171 HydrophobicContact CZ3-CB 4.15Å; W151-H171 AromaticContact CZ3-CE1 3.82Å; W151-H171 AromaticContact CZ3-CG 3.62Å; W151-H171 AromaticContact CZ3-ND1 3.42Å; W151-H171 WeakPolarHBondContact CZ3-ND1 3.46Å; K156-H171 WeakPolarHBondContact O-CB 3.44Å; K156-H171 PolarHBondContact O-N 2.88Å
172	A	95.4	Very high	97.2	Very high	90 Å²	90	48.8 Å²	48.8	74%	0.744	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-43.5	-176.3	0	0	0	0	0	111.6	D170	D170-A172 WeakPolarHBondContact OD1-CA 3.31Å; D170-A172 WeakPolarHBondContact OD1-CB 3.19Å; D170-A172 PolarHBondContact OD1-N 2.93Å
173	T	96.5	Very high	97	Very high	84 Å²	84	55 Å²	55	52%	0.515	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-16.9	-179.5	67.1	0	0	0	0	113.2	D170 T175	D170-T173 WeakPolarHBondContact CB-OG1 3.38Å; D170-T173 PolarHBondContact OD1-N 2.83Å; D170-T173 PolarHBondContact OD1-OG1 3.35Å; T173-T175 PolarHBondContact O-N 3.06Å; T173-T175 PolarHBondContact OG1-OG1 2.84Å
174	M	96.9	Very high	97.1	Very high	42 Å²	42	57 Å²	57	21%	0.207	31%	0.311	C	S	.	.			trans	60.3	30.8	-177	-56.5	-67.5	-95.3	0	0	112.8	I126 K137 I139 D170	I126-M174 HydrophobicContact CD1-CE 3.49Å; I126-M174 VanDerWaalsContact CD1-CE 3.49Å; I126-M174 HydrophobicContact CD1-SD 3.91Å; I126-M174 HydrophobicContact CG1-CE 4.25Å; K137-M174 HydrophobicContact CB-CE 3.38Å; K137-M174 HydrophobicContact CD-CE 3.9Å; K137-M174 HydrophobicContact CG-CE 4.29Å; I139-M174 HydrophobicContact CD1-CE 3.78Å; I139-M174 HydrophobicContact CD1-SD 3.72Å; I139-M174 HydrophobicContact CG1-CB 4.34Å; I139-M174 HydrophobicContact CG1-CE 3.5Å; I139-M174 HydrophobicContact CG1-SD 3.97Å; D170-M174 WeakPolarHBondContact O-CA 3.44Å; D170-M174 PolarHBondContact O-N 3.25Å
175	T	96.9	Very high	97.1	Very high	78 Å²	78	54.4 Å²	54.4	48%	0.479	31%	0.305	S	S	.	.			trans	-115.2	152.9	-179.4	58.1	0	0	0	0	111.8	W169 D170 T173 V177	W169-T175 WeakPolarHBondContact CA-O 3.2Å; D170-T175 PolarHBondContact N-O 2.77Å; T173-T175 PolarHBondContact O-N 3.06Å; T173-T175 PolarHBondContact OG1-OG1 2.84Å; T175-V177 PolarHBondContact O-N 3.49Å
176	E	97.9	Very high	97	Very high	72 Å²	72	54.1 Å²	54.1	34%	0.336	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	129.2	171.9	-176.5	175.7	146	0	0	110.6	R167 W169 S179	R167-E176 IonicContact CZ-OE2 3.68Å; R167-E176 IonicContact NH1-OE1 2.68Å; R167-E176 IonicContact NH1-OE2 3.98Å; R167-E176 PolarHBondContact NH1-OE2 2.94Å; W169-E176 HydrophobicContact CE3-CB 3.81Å; W169-E176 HydrophobicContact CZ3-CB 3.78Å; E176-S179 WeakPolarHBondContact OE1-CB 3.19Å; E176-S179 PolarHBondContact OE1-OG 3.44Å
177	V	97.6	Very high	97	Very high	79 Å²	79	56.2 Å²	56.2	48%	0.479	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-49	172.6	178.6	0	0	0	0	109.7	L168 D170 T175	L168-V177 HydrophobicContact CB-CB 4.49Å; L168-V177 HydrophobicContact CD2-CB 4.14Å; L168-V177 HydrophobicContact CD2-CG1 4.04Å; L168-V177 HydrophobicContact CG-CB 4.15Å; L168-V177 PolarHBondContact O-N 3.24Å; D170-V177 HydrophobicContact CB-CG2 3.82Å; T175-V177 PolarHBondContact O-N 3.49Å
178	K	97.9	Very high	96.9	Very high	71 Å²	71	55.3 Å²	55.3	31%	0.309	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	155.5	-177.5	-171.7	165.9	168.7	-173.3	0	111.2	L168 S213 L214 D215	L168-K178 PolarHBondContact N-O 3.03Å; L168-K178 PolarHBondContact O-N 2.86Å; K178-S213 VanDerWaalsContact CD-O 3.23Å; K178-S213 WeakPolarHBondContact CD-O 3.11Å; K178-S213 WeakPolarHBondContact CE-O 3.44Å; K178-S213 PolarHBondContact NZ-O 3.21Å; K178-L214 HydrophobicContact CB-CD1 4.2Å; K178-L214 HydrophobicContact CD-CB 4.15Å; K178-L214 HydrophobicContact CG-CB 4.45Å; K178-L214 HydrophobicContact CG-CD1 4.31Å; K178-D215 IonicContact NZ-OD1 3.56Å; K178-D215 PolarHBondContact NZ-OD1 3.07Å
179	S	97.5	Very high	96.9	Very high	42 Å²	42	55.3 Å²	55.3	29%	0.294	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.7	172.6	47.7	0	0	0	0	112.8	V166 E176	V166-S179 CarbonylContact O-C 3.54Å; V166-S179 VanDerWaalsContact O-CA 3.32Å; V166-S179 WeakPolarHBondContact O-CA 3.47Å; E176-S179 WeakPolarHBondContact OE1-CB 3.19Å; E176-S179 PolarHBondContact OE1-OG 3.44Å
180	L	97.9	Very high	96.8	Very high	29 Å²	29	56 Å²	56	15%	0.152	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.1	172.1	-60.3	176.2	0	0	0	108.8	T165 V166 F182 I200 L214	T165-L180 WeakPolarHBondContact CA-O 3.25Å; V166-L180 HydrophobicContact CB-CB 4.41Å; V166-L180 PolarHBondContact N-O 3.25Å; V166-L180 VanDerWaalsContact N-O 3.08Å; V166-L180 PolarHBondContact O-N 2.61Å; L180-F182 HydrophobicContact CB-CE2 3.74Å; L180-F182 HydrophobicContact CB-CZ 4.06Å; L180-F182 HydrophobicContact CD1-CZ 4.2Å; L180-I200 HydrophobicContact CD1-CD1 4.27Å; L180-L214 HydrophobicContact CD1-CB 4.06Å; L180-L214 HydrophobicContact CD1-CD1 4.38Å; L180-L214 HydrophobicContact CD1-CD2 4.36Å; L180-L214 HydrophobicContact CD2-CB 4.29Å; L180-L214 HydrophobicContact CG-CB 4.12Å; L180-L214 HydrophobicContact CG-CD1 4.07Å
181	N	97.3	Very high	96.9	Very high	129 Å²	129	55.7 Å²	55.7	69%	0.69	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.9	177.2	-67.9	-86.1	0	0	0	109.7	K164 T165	K164-N181 CarbonylContact O-C 3.57Å; K164-N181 WeakPolarHBondContact O-CA 3.38Å; T165-N181 WeakPolarHBondContact CG2-OD1 3.46Å
182	F	96.4	Very high	96.9	Very high	26 Å²	26	54.6 Å²	54.6	11%	0.114	31%	0.312	C	S	.	.			trans	-116	145.8	-178	-62	-90.5	0	0	0	110.5	K164 V166 L180 M184 V186 I200 Y202	K164-F182 PolarHBondContact O-N 2.86Å; V166-F182 HydrophobicContact CB-CE2 3.97Å; V166-F182 HydrophobicContact CG2-CD2 4.46Å; V166-F182 HydrophobicContact CG2-CE2 3.65Å; V166-F182 HydrophobicContact CG2-CZ 4.33Å; L180-F182 HydrophobicContact CB-CE2 3.74Å; L180-F182 HydrophobicContact CB-CZ 4.06Å; L180-F182 HydrophobicContact CD1-CZ 4.2Å; F182-M184 VanDerWaalsContact C-N 3.33Å; F182-M184 WeakPolarHBondContact CB-O 3.39Å; F182-V186 HydrophobicContact CB-CG2 4.3Å; F182-V186 HydrophobicContact CD2-CG2 3.57Å; F182-V186 HydrophobicContact CE2-CG2 4.06Å; F182-V186 HydrophobicContact CG-CG2 3.95Å; F182-I200 HydrophobicContact CE1-CG2 4.42Å; F182-I200 HydrophobicContact CZ-CD1 3.96Å; F182-I200 HydrophobicContact CZ-CG2 4.1Å; F182-Y202 AromaticContact CD1-CD1 3.55Å; F182-Y202 HydrophobicContact CD1-CD1 3.55Å; F182-Y202 AromaticContact CD1-CD2 3.99Å; F182-Y202 HydrophobicContact CD1-CD2 3.99Å; F182-Y202 AromaticContact CD1-CE1 3.55Å; F182-Y202 HydrophobicContact CD1-CE1 3.55Å; F182-Y202 HydrophobicContact CD1-CE2 4Å; F182-Y202 AromaticContact CD1-CG 3.79Å; F182-Y202 HydrophobicContact CD1-CG 3.79Å; F182-Y202 AromaticContact CD1-CZ 3.79Å; F182-Y202 AromaticContact CE1-CD1 3.6Å; F182-Y202 HydrophobicContact CE1-CD1 3.6Å; F182-Y202 AromaticContact CE1-CE1 3.35Å; F182-Y202 HydrophobicContact CE1-CE1 3.35Å; F182-Y202 HydrophobicContact CE1-CG 4.31Å; F182-Y202 AromaticContact CE1-CZ 3.9Å
183	N	93.7	Very high	96.8	Very high	132 Å²	132	53.4 Å²	53.4	71%	0.706	30%	0.296	S	S	*	.	S	Bend	trans	-76.9	-23.8	175.7	60.5	-5.1	0	0	0	112.4
184	M	95.1	Very high	96.4	Very high	97 Å²	97	54.6 Å²	54.6	48%	0.478	30%	0.296	S	S	.	.	S	Bend	trans	-115.4	165.7	177.3	-62.1	-164.4	77.9	0	0	110.8	F182 V186	F182-M184 VanDerWaalsContact C-N 3.33Å; F182-M184 WeakPolarHBondContact CB-O 3.39Å; M184-V186 PolarHBondContact O-N 2.96Å
185	S	96.2	Very high	96	Very high	45 Å²	45	55.2 Å²	55.2	32%	0.315	31%	0.313	S	S	.	.			trans	-65.4	130.8	177	-161.9	0	0	0	0	110.4	K147 D163 S187 Y202	K147-S185 PolarHBondContact NZ-OG 2.6Å; D163-S185 CarbonylContact O-C 3.49Å; D163-S185 WeakPolarHBondContact O-CA 3.49Å; D163-S185 VanDerWaalsContact OD1-CB 3.32Å; D163-S185 WeakPolarHBondContact OD1-CB 3.32Å; D163-S185 PolarHBondContact OD1-OG 2.85Å; S185-S187 PolarHBondContact O-N 3.12Å; S185-Y202 WeakPolarHBondContact O-CB 3.39Å
186	V	97.6	Very high	95.9	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.3	171.2	-180	0	0	0	0	108.1	K147 A161 D163 V166 F182 M184 I200	K147-V186 WeakPolarHBondContact CD-O 3.43Å; K147-V186 PolarHBondContact NZ-O 2.96Å; A161-V186 HydrophobicContact CB-CG1 4.1Å; D163-V186 PolarHBondContact O-N 2.98Å; V166-V186 HydrophobicContact CG2-CG1 4.32Å; V166-V186 HydrophobicContact CG2-CG2 4.21Å; F182-V186 HydrophobicContact CB-CG2 4.3Å; F182-V186 HydrophobicContact CD2-CG2 3.57Å; F182-V186 HydrophobicContact CE2-CG2 4.06Å; F182-V186 HydrophobicContact CG-CG2 3.95Å; M184-V186 PolarHBondContact O-N 2.96Å; V186-I200 HydrophobicContact CG1-CG2 3.8Å
187	S	97.3	Very high	95.9	Very high	43 Å²	43	50.8 Å²	50.8	30%	0.301	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-49.9	-175.8	-54.8	0	0	0	0	111.4	S185 T201 I226 N227	S185-S187 PolarHBondContact O-N 3.12Å; S187-T201 PolarHBondContact N-O 3.08Å; S187-I226 PolarHBondContact OG-O 2.83Å; S187-N227 CarbonylContact C-O 3.51Å; S187-N227 WeakPolarHBondContact CB-O 3.17Å
188	S	96.9	Very high	95.9	Very high	16 Å²	16	47 Å²	47	11%	0.112	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	164.7	177.8	79.9	0	0	0	0	112.6	T201 N227 S228	S188-T201 WeakPolarHBondContact CB-OG1 3.48Å; S188-T201 PolarHBondContact N-OG1 3.25Å; S188-T201 PolarHBondContact O-N 3.45Å; S188-T201 PolarHBondContact OG-OG1 2.97Å; S188-N227 WeakPolarHBondContact CB-O 3.46Å; S188-N227 PolarHBondContact OG-O 3.02Å; S188-S228 WeakPolarHBondContact OG-CA 3.39Å
189	M	97.7	Very high	96	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.2	176.2	-170.5	174.3	72.3	0	0	109.2	K148 L150 L159 A161 V166 L198 V199 R272	K148-M189 HydrophobicContact CB-CB 4.32Å; K148-M189 HydrophobicContact CB-CE 4.39Å; K148-M189 HydrophobicContact CG-CB 4.38Å; K148-M189 HydrophobicContact CG-CE 4.44Å; L150-M189 HydrophobicContact CB-CE 4.42Å; L150-M189 HydrophobicContact CD1-CE 3.96Å; L150-M189 HydrophobicContact CD1-CG 4.4Å; L150-M189 HydrophobicContact CG-CE 4.04Å; L159-M189 HydrophobicContact CB-CE 3.75Å; L159-M189 HydrophobicContact CB-SD 4.1Å; A161-M189 HydrophobicContact CB-CE 4.48Å; A161-M189 HydrophobicContact CB-SD 4.09Å; V166-M189 HydrophobicContact CG1-SD 4.06Å; M189-L198 HydrophobicContact CG-CD1 3.3Å; M189-L198 HydrophobicContact CG-CG 4.35Å; M189-L198 HydrophobicContact SD-CD1 3.86Å; M189-L198 HydrophobicContact SD-CD2 4.47Å; M189-V199 VanDerWaalsContact CA-O 3.32Å; M189-V199 WeakPolarHBondContact CA-O 3Å; M189-R272 PolarHBondContact O-NH2 2.88Å; M189-R272 VanDerWaalsContact O-NH2 3.07Å
190	E	98.1	Very high	96	Very high	21 Å²	21	41.7 Å²	41.7	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.2	174.1	-174.3	-171.8	-127.9	0	0	109.6	I192 L198 V199 S230 L231 R272	E190-I192 HydrophobicContact CG-CD1 4.03Å; E190-I192 WeakPolarHBondContact OE2-CD1 3.31Å; E190-L198 WeakPolarHBondContact O-CD1 3.2Å; E190-V199 HydrophobicContact CB-CB 4.28Å; E190-V199 PolarHBondContact N-O 2.77Å; E190-V199 PolarHBondContact O-N 3.41Å; E190-S230 WeakPolarHBondContact OE1-CB 3.42Å; E190-S230 PolarHBondContact OE1-OG 3.21Å; E190-S230 WeakPolarHBondContact OE2-CA 3.32Å; E190-S230 PolarHBondContact OE2-OG 2.85Å; E190-L231 PolarHBondContact OE2-N 3.28Å; E190-R272 WeakPolarHBondContact OE1-CD 3.22Å; E190-R272 IonicContact OE1-CZ 3.3Å; E190-R272 IonicContact OE1-NE 3.23Å; E190-R272 IonicContact OE1-NH1 2.67Å
191	Y	97.7	Very high	96.1	Very high	37 Å²	37	40.3 Å²	40.3	15%	0.145	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.1	173.8	169.8	-123	0	0	0	109.3	W151 C152 S153 P193 E196 A211	W151-Y191 WeakPolarHBondContact O-CD1 3.49Å; C152-Y191 HydrophobicContact CB-CD1 4.02Å; C152-Y191 HydrophobicContact CB-CD2 3.93Å; C152-Y191 HydrophobicContact CB-CE1 3.8Å; C152-Y191 HydrophobicContact CB-CE2 3.7Å; C152-Y191 HydrophobicContact CB-CG 4.07Å; S153-Y191 PolarHBondContact N-OH 3.02Å; S153-Y191 VanDerWaalsContact N-OH 3.11Å; Y191-P193 HydrophobicContact CD1-CG 4.11Å; Y191-P193 HydrophobicContact CE1-CB 4.05Å; Y191-P193 HydrophobicContact CE1-CG 3.73Å; Y191-E196 WeakPolarHBondContact CE2-OE2 3.43Å; Y191-E196 VanDerWaalsContact CZ-OE2 3.3Å; Y191-E196 PolarHBondContact OH-OE1 3.04Å; Y191-E196 PolarHBondContact OH-OE2 3Å; Y191-A211 HydrophobicContact CD2-CB 3.58Å; Y191-A211 HydrophobicContact CE2-CB 3.48Å; Y191-A211 VanDerWaalsContact CE2-CB 3.48Å
192	I	96.3	Very high	96.1	Very high	12 Å²	12	36 Å²	36	6%	0.062	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	105.3	174.6	-51.7	-62.4	0	0	0	107.1	E190 E194 E196 I197 V199 L231	E190-I192 HydrophobicContact CG-CD1 4.03Å; E190-I192 WeakPolarHBondContact OE2-CD1 3.31Å; I192-E194 VanDerWaalsContact C-N 3.28Å; I192-E194 HydrophobicContact CG2-CB 4.38Å; I192-E194 PolarHBondContact O-N 3.07Å; I192-E196 PolarHBondContact O-N 3.04Å; I192-I197 HydrophobicContact CB-CB 4.21Å; I192-I197 PolarHBondContact N-O 3.08Å; I192-I197 PolarHBondContact O-N 2.92Å; I192-V199 HydrophobicContact CG1-CG2 4.23Å; I192-L231 HydrophobicContact CD1-CB 4.11Å; I192-L231 HydrophobicContact CG1-CB 4.02Å; I192-L231 HydrophobicContact CG1-CD2 4.23Å
193	P	92.6	Very high	96.1	Very high	65 Å²	65	35 Å²	35	42%	0.422	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-41.6	-178.4	-23.4	32.7	0	0	0	112.2	Y191 G195 E196	Y191-P193 HydrophobicContact CD1-CG 4.11Å; Y191-P193 HydrophobicContact CE1-CB 4.05Å; Y191-P193 HydrophobicContact CE1-CG 3.73Å; P193-G195 PolarHBondContact O-N 3.26Å; P193-E196 PolarHBondContact O-N 2.74Å
194	E	88.1	Confident	96.3	Very high	109 Å²	109	34.1 Å²	34.1	51%	0.509	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	106	175.5	-63	72.4	-157.1	0	0	107.9	I192 K235	I192-E194 VanDerWaalsContact C-N 3.28Å; I192-E194 HydrophobicContact CG2-CB 4.38Å; I192-E194 PolarHBondContact O-N 3.07Å; E194-K235 WeakPolarHBondContact O-CE 3.17Å; E194-K235 PolarHBondContact O-NZ 3.34Å
195	G	88.9	Confident	96.4	Very high	55 Å²	55	30 Å²	30	57%	0.567	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	11.5	-179.5	0	0	0	0	0	116.2	P193 I197	P193-G195 PolarHBondContact O-N 3.26Å; G195-I197 PolarHBondContact O-N 2.86Å
196	E	95.6	Very high	96.5	Very high	46 Å²	46	28 Å²	28	22%	0.215	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	51.2	170.8	-64	-71.5	175.2	0	0	112.7	Y191 I192 P193 A211 V212	Y191-E196 WeakPolarHBondContact CE2-OE2 3.43Å; Y191-E196 VanDerWaalsContact CZ-OE2 3.3Å; Y191-E196 PolarHBondContact OH-OE1 3.04Å; Y191-E196 PolarHBondContact OH-OE2 3Å; I192-E196 PolarHBondContact O-N 3.04Å; P193-E196 PolarHBondContact O-N 2.74Å; E196-A211 HydrophobicContact CB-CB 4.43Å; E196-A211 WeakPolarHBondContact O-CB 3.17Å; E196-A211 PolarHBondContact O-N 2.93Å; E196-V212 HydrophobicContact CB-CG2 4Å; E196-V212 HydrophobicContact CG-CG2 3.9Å
197	I	97.8	Very high	96.6	Very high	10 Å²	10	28 Å²	28	5%	0.051	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.8	-176.7	-60	171.8	0	0	0	109.6	I192 G195 V199 F208 I217 L231 K235	I192-I197 HydrophobicContact CB-CB 4.21Å; I192-I197 PolarHBondContact N-O 3.08Å; I192-I197 PolarHBondContact O-N 2.92Å; G195-I197 PolarHBondContact O-N 2.86Å; I197-V199 HydrophobicContact CG2-CG2 4.44Å; I197-F208 HydrophobicContact CG2-CB 4.41Å; I197-F208 HydrophobicContact CG2-CD1 3.94Å; I197-I217 HydrophobicContact CG1-CD1 4.24Å; I197-I217 HydrophobicContact CG2-CD1 4.46Å; I197-L231 HydrophobicContact CD1-CD2 4.01Å; I197-L231 HydrophobicContact CG2-CD2 4.26Å; I197-K235 HydrophobicContact CD1-CD 3.94Å; I197-K235 HydrophobicContact CD1-CG 4.49Å
198	L	98.5	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.2	170.8	179.1	58.5	0	0	0	109.6	L159 V166 M189 E190 I200 F208 H209 A211 L214	L159-L198 HydrophobicContact CD1-CD1 3.72Å; L159-L198 HydrophobicContact CD1-CD2 4.02Å; L159-L198 HydrophobicContact CD1-CG 4.29Å; L159-L198 HydrophobicContact CD2-CD2 3.78Å; L159-L198 HydrophobicContact CG-CD2 4.49Å; V166-L198 HydrophobicContact CG1-CD2 4.1Å; M189-L198 HydrophobicContact CG-CD1 3.3Å; M189-L198 HydrophobicContact CG-CG 4.35Å; M189-L198 HydrophobicContact SD-CD1 3.86Å; M189-L198 HydrophobicContact SD-CD2 4.47Å; E190-L198 WeakPolarHBondContact O-CD1 3.2Å; L198-I200 HydrophobicContact CD1-CG1 4.45Å; L198-I200 HydrophobicContact CD2-CD1 3.84Å; L198-I200 HydrophobicContact CD2-CG1 4.09Å; L198-I200 HydrophobicContact CG-CD1 4.08Å; L198-I200 HydrophobicContact CG-CG1 3.8Å; L198-F208 CarbonylContact O-C 3.51Å; L198-F208 WeakPolarHBondContact O-CA 3.43Å; L198-H209 HydrophobicContact CB-CB 4.36Å; L198-H209 PolarHBondContact N-O 3.05Å; L198-H209 PolarHBondContact O-N 3.31Å; L198-A211 HydrophobicContact CB-CB 4.24Å; L198-L214 HydrophobicContact CD2-CD2 3.59Å
199	V	98.6	Very high	96.7	Very high	2 Å²	2	26 Å²	26	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.2	173.4	-169.1	0	0	0	0	108.6	M189 E190 I192 I197 I206 F208 A229 L231	M189-V199 VanDerWaalsContact CA-O 3.32Å; M189-V199 WeakPolarHBondContact CA-O 3Å; E190-V199 HydrophobicContact CB-CB 4.28Å; E190-V199 PolarHBondContact N-O 2.77Å; E190-V199 PolarHBondContact O-N 3.41Å; I192-V199 HydrophobicContact CG1-CG2 4.23Å; I197-V199 HydrophobicContact CG2-CG2 4.44Å; V199-I206 HydrophobicContact CG1-CG2 4.12Å; V199-F208 HydrophobicContact CB-CE1 4.4Å; V199-F208 HydrophobicContact CG1-CD1 4.39Å; V199-F208 HydrophobicContact CG1-CE1 3.95Å; V199-F208 HydrophobicContact CG1-CZ 4.41Å; V199-F208 HydrophobicContact CG2-CD1 3.89Å; V199-F208 HydrophobicContact CG2-CE1 3.75Å; V199-A229 HydrophobicContact CG1-CB 4.13Å; V199-L231 HydrophobicContact CG2-CB 4.1Å
200	I	98.6	Very high	96.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130	-178.9	-49.8	172.1	0	0	0	108.3	V166 L180 F182 V186 L198 Y202 A207	V166-I200 HydrophobicContact CB-CD1 4.49Å; V166-I200 HydrophobicContact CG1-CD1 4.29Å; V166-I200 HydrophobicContact CG2-CD1 4.19Å; V166-I200 HydrophobicContact CG2-CG2 4.32Å; L180-I200 HydrophobicContact CD1-CD1 4.27Å; F182-I200 HydrophobicContact CE1-CG2 4.42Å; F182-I200 HydrophobicContact CZ-CD1 3.96Å; F182-I200 HydrophobicContact CZ-CG2 4.1Å; V186-I200 HydrophobicContact CG1-CG2 3.8Å; L198-I200 HydrophobicContact CD1-CG1 4.45Å; L198-I200 HydrophobicContact CD2-CD1 3.84Å; L198-I200 HydrophobicContact CD2-CG1 4.09Å; L198-I200 HydrophobicContact CG-CD1 4.08Å; L198-I200 HydrophobicContact CG-CG1 3.8Å; I200-Y202 HydrophobicContact CG2-CD1 4.16Å; I200-A207 PolarHBondContact N-O 3.4Å; I200-A207 PolarHBondContact O-N 2.79Å
201	T	98.4	Very high	96.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.2	173.2	59.7	0	0	0	0	110.4	S187 S188 S205 I206 I226 N227 A229	S187-T201 PolarHBondContact N-O 3.08Å; S188-T201 WeakPolarHBondContact CB-OG1 3.48Å; S188-T201 PolarHBondContact N-OG1 3.25Å; S188-T201 PolarHBondContact O-N 3.45Å; S188-T201 PolarHBondContact OG-OG1 2.97Å; T201-S205 WeakPolarHBondContact CA-O 3.19Å; T201-I206 HydrophobicContact CG2-CG1 4.35Å; T201-I206 HydrophobicContact CG2-CG2 4.43Å; T201-I226 HydrophobicContact CG2-CG2 3.73Å; T201-N227 PolarHBondContact OG1-O 3.16Å; T201-A229 HydrophobicContact CG2-CB 3.54Å
202	Y	97.8	Very high	96.6	Very high	38 Å²	38	27.3 Å²	27.3	15%	0.149	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	128.3	175.5	57.7	-84.9	0	0	0	109.7	F182 S185 I200 R204 S205 A207	F182-Y202 AromaticContact CD1-CD1 3.55Å; F182-Y202 HydrophobicContact CD1-CD1 3.55Å; F182-Y202 AromaticContact CD1-CD2 3.99Å; F182-Y202 HydrophobicContact CD1-CD2 3.99Å; F182-Y202 AromaticContact CD1-CE1 3.55Å; F182-Y202 HydrophobicContact CD1-CE1 3.55Å; F182-Y202 HydrophobicContact CD1-CE2 4Å; F182-Y202 AromaticContact CD1-CG 3.79Å; F182-Y202 HydrophobicContact CD1-CG 3.79Å; F182-Y202 AromaticContact CD1-CZ 3.79Å; F182-Y202 AromaticContact CE1-CD1 3.6Å; F182-Y202 HydrophobicContact CE1-CD1 3.6Å; F182-Y202 AromaticContact CE1-CE1 3.35Å; F182-Y202 HydrophobicContact CE1-CE1 3.35Å; F182-Y202 HydrophobicContact CE1-CG 4.31Å; F182-Y202 AromaticContact CE1-CZ 3.9Å; S185-Y202 WeakPolarHBondContact O-CB 3.39Å; I200-Y202 HydrophobicContact CG2-CD1 4.16Å; Y202-R204 PolarHBondContact O-N 2.85Å; Y202-R204 VanDerWaalsContact O-N 3.16Å; Y202-S205 VanDerWaalsContact CE2-CB 3.49Å; Y202-S205 WeakPolarHBondContact CE2-OG 3.34Å; Y202-S205 VanDerWaalsContact CZ-CB 3.45Å; Y202-S205 PolarHBondContact N-O 2.66Å; Y202-S205 VanDerWaalsContact N-O 3.1Å; Y202-S205 WeakPolarHBondContact O-CB 3.26Å; Y202-S205 PolarHBondContact O-N 2.8Å; Y202-A207 HydrophobicContact CE1-CB 3.76Å
203	G	97	Very high	96.6	Very high	5 Å²	5	28.6 Å²	28.6	5%	0.052	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-122.9	-172.9	0	0	0	0	0	111.1	T225 I226	G203-T225 CarbonylContact O-C 3.47Å; G203-T225 VanDerWaalsContact O-CA 3.28Å; G203-T225 WeakPolarHBondContact O-CA 3.21Å; G203-T225 WeakPolarHBondContact O-CG2 3.24Å; G203-I226 PolarHBondContact O-N 3.46Å
204	R	97.4	Very high	96.8	Very high	114 Å²	114	25.5 Å²	25.5	43%	0.43	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-1.3	175.5	-58	-167.9	-65.1	90.2	18.2	113.4	Y202 E221 A222	Y202-R204 PolarHBondContact O-N 2.85Å; Y202-R204 VanDerWaalsContact O-N 3.16Å; R204-E221 IonicContact CZ-OE2 3.56Å; R204-E221 IonicContact NH1-OE2 3.42Å; R204-E221 PolarHBondContact NH1-OE2 2.79Å; R204-E221 IonicContact NH2-OE2 2.72Å; R204-E221 PolarHBondContact NH2-OE2 2.87Å; R204-A222 PolarHBondContact NH1-O 3.01Å; R204-A222 WeakPolarHBondContact O-CB 3.24Å; R204-A222 PolarHBondContact O-N 3.39Å
205	S	97.8	Very high	97.2	Very high	11 Å²	11	24.1 Å²	24.1	8%	0.077	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.6	-173.6	-46.1	0	0	0	0	111.1	T201 Y202 F220 E221	T201-S205 WeakPolarHBondContact CA-O 3.19Å; Y202-S205 VanDerWaalsContact CE2-CB 3.49Å; Y202-S205 WeakPolarHBondContact CE2-OG 3.34Å; Y202-S205 VanDerWaalsContact CZ-CB 3.45Å; Y202-S205 PolarHBondContact N-O 2.66Å; Y202-S205 VanDerWaalsContact N-O 3.1Å; Y202-S205 WeakPolarHBondContact O-CB 3.26Å; Y202-S205 PolarHBondContact O-N 2.8Å; S205-F220 CarbonylContact C-O 3.5Å; S205-F220 WeakPolarHBondContact CA-O 3.44Å; S205-E221 WeakPolarHBondContact CB-OE1 3.36Å; S205-E221 PolarHBondContact OG-OE1 2.87Å
206	I	98.3	Very high	97.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	107.9	165.4	-53.1	170.8	0	0	0	106.3	V199 T201 F208 S219 F220 I226 A229 L238 A240 Y250	V199-I206 HydrophobicContact CG1-CG2 4.12Å; T201-I206 HydrophobicContact CG2-CG1 4.35Å; T201-I206 HydrophobicContact CG2-CG2 4.43Å; I206-F208 HydrophobicContact CG2-CE2 3.88Å; I206-F208 HydrophobicContact CG2-CZ 3.86Å; I206-S219 CarbonylContact O-C 3.43Å; I206-S219 VanDerWaalsContact O-CA 3.26Å; I206-S219 WeakPolarHBondContact O-CA 3.37Å; I206-F220 PolarHBondContact N-O 2.68Å; I206-F220 PolarHBondContact O-N 2.78Å; I206-I226 HydrophobicContact CD1-CG1 4.28Å; I206-I226 HydrophobicContact CD1-CG2 4.44Å; I206-I226 HydrophobicContact CG1-CB 4.44Å; I206-I226 HydrophobicContact CG1-CG1 4.22Å; I206-I226 HydrophobicContact CG1-CG2 4.21Å; I206-A229 HydrophobicContact CD1-CB 4.32Å; I206-A229 HydrophobicContact CG1-CB 4.43Å; I206-A229 HydrophobicContact CG2-CB 3.87Å; I206-L238 HydrophobicContact CD1-CD1 3.83Å; I206-L238 HydrophobicContact CG2-CD1 3.94Å; I206-A240 HydrophobicContact CD1-CB 3.55Å; I206-Y250 HydrophobicContact CD1-CD2 4.34Å; I206-Y250 HydrophobicContact CD1-CE2 4.13Å
207	A	98.3	Very high	97.8	Very high	2 Å²	2	28 Å²	28	2%	0.017	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.8	-176.8	0	0	0	0	0	111.3	I200 Y202	I200-A207 PolarHBondContact N-O 3.4Å; I200-A207 PolarHBondContact O-N 2.79Å; Y202-A207 HydrophobicContact CE1-CB 3.76Å
208	F	98.4	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.6	177.8	-59.4	-90.9	0	0	0	108.7	I197 L198 V199 I206 I217 K218 F220 L231 L238 Y252	I197-F208 HydrophobicContact CG2-CB 4.41Å; I197-F208 HydrophobicContact CG2-CD1 3.94Å; L198-F208 CarbonylContact O-C 3.51Å; L198-F208 WeakPolarHBondContact O-CA 3.43Å; V199-F208 HydrophobicContact CB-CE1 4.4Å; V199-F208 HydrophobicContact CG1-CD1 4.39Å; V199-F208 HydrophobicContact CG1-CE1 3.95Å; V199-F208 HydrophobicContact CG1-CZ 4.41Å; V199-F208 HydrophobicContact CG2-CD1 3.89Å; V199-F208 HydrophobicContact CG2-CE1 3.75Å; I206-F208 HydrophobicContact CG2-CE2 3.88Å; I206-F208 HydrophobicContact CG2-CZ 3.86Å; F208-I217 HydrophobicContact CB-CB 4.19Å; F208-I217 WeakPolarHBondContact O-CA 3.45Å; F208-I217 WeakPolarHBondContact O-CB 3.42Å; F208-I217 PolarHBondContact O-N 3.08Å; F208-K218 HydrophobicContact CB-CG 4.1Å; F208-K218 HydrophobicContact CD2-CD 4.41Å; F208-K218 HydrophobicContact CD2-CG 3.72Å; F208-K218 HydrophobicContact CG-CG 4.21Å; F208-K218 PolarHBondContact N-O 2.84Å; F208-K218 PolarHBondContact O-N 3.08Å; F208-F220 HydrophobicContact CD2-CE2 4.33Å; F208-F220 AromaticContact CE2-CD2 3.7Å; F208-F220 HydrophobicContact CE2-CD2 3.7Å; F208-F220 AromaticContact CE2-CE2 3.68Å; F208-F220 HydrophobicContact CE2-CE2 3.68Å; F208-F220 HydrophobicContact CZ-CE2 4.46Å; F208-L231 HydrophobicContact CE1-CD1 4.34Å; F208-L231 HydrophobicContact CE1-CD2 4.36Å; F208-L238 HydrophobicContact CE2-CD2 4.5Å; F208-L238 HydrophobicContact CZ-CD1 4.1Å; F208-L238 HydrophobicContact CZ-CD2 3.91Å; F208-L238 HydrophobicContact CZ-CG 4.43Å; F208-Y252 HydrophobicContact CD1-CD2 4.39Å; F208-Y252 AromaticContact CD1-CE2 3.61Å; F208-Y252 HydrophobicContact CD1-CE2 3.61Å; F208-Y252 HydrophobicContact CD2-CE2 4.18Å; F208-Y252 AromaticContact CE1-CD2 3.95Å; F208-Y252 HydrophobicContact CE1-CD2 3.95Å; F208-Y252 AromaticContact CE1-CE2 3.62Å; F208-Y252 HydrophobicContact CE1-CE2 3.62Å; F208-Y252 HydrophobicContact CE2-CD2 4.36Å; F208-Y252 HydrophobicContact CE2-CE2 4.2Å; F208-Y252 AromaticContact CG-CE2 3.88Å; F208-Y252 HydrophobicContact CG-CE2 3.88Å; F208-Y252 AromaticContact CZ-CD2 3.93Å; F208-Y252 HydrophobicContact CZ-CD2 3.93Å; F208-Y252 AromaticContact CZ-CE2 3.93Å; F208-Y252 HydrophobicContact CZ-CE2 3.93Å
209	H	98.6	Very high	97.7	Very high	19 Å²	19	33.7 Å²	33.7	9%	0.088	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	159.7	178.8	-70.9	-111.6	0	0	0	109.8	L198 A211 L214 D215 I217	L198-H209 HydrophobicContact CB-CB 4.36Å; L198-H209 PolarHBondContact N-O 3.05Å; L198-H209 PolarHBondContact O-N 3.31Å; H209-A211 PolarHBondContact O-N 3.03Å; H209-L214 PolarHBondContact ND1-O 2.79Å; H209-D215 CarbonylContact C-O 3.53Å; H209-D215 WeakPolarHBondContact CA-O 3.44Å; H209-I217 VanDerWaalsContact C-CD1 3.47Å
210	S	97.9	Very high	97.5	Very high	30 Å²	30	35.1 Å²	35.1	21%	0.21	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.4	162.9	176.1	0	0	0	0	109.1	V212 S213 L214 D215	S210-V212 PolarHBondContact O-N 2.85Å; S210-V212 PolarHBondContact OG-N 2.89Å; S210-S213 WeakPolarHBondContact CB-OG 3.22Å; S210-S213 PolarHBondContact OG-N 2.94Å; S210-L214 WeakPolarHBondContact O-CA 3.25Å; S210-L214 PolarHBondContact O-N 2.85Å; S210-D215 PolarHBondContact N-O 3.44Å
211	A	97.2	Very high	97.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-28.2	176.2	0	0	0	0	0	112.5	L159 L168 Y191 E196 L198 H209	L159-A211 HydrophobicContact CD1-CB 4.1Å; L168-A211 WeakPolarHBondContact CD1-O 3.38Å; Y191-A211 HydrophobicContact CD2-CB 3.58Å; Y191-A211 HydrophobicContact CE2-CB 3.48Å; Y191-A211 VanDerWaalsContact CE2-CB 3.48Å; E196-A211 HydrophobicContact CB-CB 4.43Å; E196-A211 WeakPolarHBondContact O-CB 3.17Å; E196-A211 PolarHBondContact O-N 2.93Å; L198-A211 HydrophobicContact CB-CB 4.24Å; H209-A211 PolarHBondContact O-N 3.03Å
212	V	95.8	Very high	97.4	Very high	55 Å²	55	40 Å²	40	33%	0.333	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-31.9	-175.4	-178.3	0	0	0	0	112.6	L168 E196 S210	L168-V212 WeakPolarHBondContact CD2-O 3.47Å; E196-V212 HydrophobicContact CB-CG2 4Å; E196-V212 HydrophobicContact CG-CG2 3.9Å; S210-V212 PolarHBondContact O-N 2.85Å; S210-V212 PolarHBondContact OG-N 2.89Å
213	S	95.9	Very high	97.3	Very high	39 Å²	39	42.2 Å²	42.2	27%	0.273	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-6.4	-176.4	74.1	0	0	0	0	114.8	K178 S210 D215	K178-S213 VanDerWaalsContact CD-O 3.23Å; K178-S213 WeakPolarHBondContact CD-O 3.11Å; K178-S213 WeakPolarHBondContact CE-O 3.44Å; K178-S213 PolarHBondContact NZ-O 3.21Å; S210-S213 WeakPolarHBondContact CB-OG 3.22Å; S210-S213 PolarHBondContact OG-N 2.94Å; S213-D215 VanDerWaalsContact CB-OD2 3.26Å; S213-D215 WeakPolarHBondContact CB-OD2 3.43Å; S213-D215 PolarHBondContact O-N 2.91Å; S213-D215 VanDerWaalsContact O-N 3.09Å; S213-D215 WeakPolarHBondContact OG-CB 3.19Å; S213-D215 PolarHBondContact OG-N 3.48Å; S213-D215 PolarHBondContact OG-OD2 2.97Å
214	L	97.8	Very high	97.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.			trans	55.8	14.8	-170.5	-62	-175.3	0	0	0	114.8	L159 V166 L168 K178 L180 L198 H209 S210	L159-L214 HydrophobicContact CD2-CD2 3.7Å; V166-L214 HydrophobicContact CG1-CD2 4.44Å; L168-L214 HydrophobicContact CB-CD1 3.64Å; L168-L214 HydrophobicContact CB-CG 3.92Å; L168-L214 HydrophobicContact CD2-CG 4.36Å; K178-L214 HydrophobicContact CB-CD1 4.2Å; K178-L214 HydrophobicContact CD-CB 4.15Å; K178-L214 HydrophobicContact CG-CB 4.45Å; K178-L214 HydrophobicContact CG-CD1 4.31Å; L180-L214 HydrophobicContact CD1-CB 4.06Å; L180-L214 HydrophobicContact CD1-CD1 4.38Å; L180-L214 HydrophobicContact CD1-CD2 4.36Å; L180-L214 HydrophobicContact CD2-CB 4.29Å; L180-L214 HydrophobicContact CG-CB 4.12Å; L180-L214 HydrophobicContact CG-CD1 4.07Å; L198-L214 HydrophobicContact CD2-CD2 3.59Å; H209-L214 PolarHBondContact ND1-O 2.79Å; S210-L214 WeakPolarHBondContact O-CA 3.25Å; S210-L214 PolarHBondContact O-N 2.85Å
215	D	97.3	Very high	97.3	Very high	80 Å²	80	39.9 Å²	39.9	43%	0.428	23%	0.233	S	C	.	.			trans	-70.1	136.3	176.8	-64.3	-38.4	0	0	0	110.5	K178 H209 S210 S213 I217	K178-D215 IonicContact NZ-OD1 3.56Å; K178-D215 PolarHBondContact NZ-OD1 3.07Å; H209-D215 CarbonylContact C-O 3.53Å; H209-D215 WeakPolarHBondContact CA-O 3.44Å; S210-D215 PolarHBondContact N-O 3.44Å; S213-D215 VanDerWaalsContact CB-OD2 3.26Å; S213-D215 WeakPolarHBondContact CB-OD2 3.43Å; S213-D215 PolarHBondContact O-N 2.91Å; S213-D215 VanDerWaalsContact O-N 3.09Å; S213-D215 WeakPolarHBondContact OG-CB 3.19Å; S213-D215 PolarHBondContact OG-N 3.48Å; S213-D215 PolarHBondContact OG-OD2 2.97Å; D215-I217 PolarHBondContact O-N 2.84Å
216	P	98	Very high	97.3	Very high	101 Å²	101	39.4 Å²	39.4	66%	0.656	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	133.2	-179.6	28.2	-34.1	0	0	0	110.5
217	I	97.7	Very high	97.3	Very high	82 Å²	82	40.3 Å²	40.3	42%	0.421	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-57.6	172.7	-59.5	171.7	0	0	0	108.8	I197 F208 H209 D215	I197-I217 HydrophobicContact CG1-CD1 4.24Å; I197-I217 HydrophobicContact CG2-CD1 4.46Å; F208-I217 HydrophobicContact CB-CB 4.19Å; F208-I217 WeakPolarHBondContact O-CA 3.45Å; F208-I217 WeakPolarHBondContact O-CB 3.42Å; F208-I217 PolarHBondContact O-N 3.08Å; H209-I217 VanDerWaalsContact C-CD1 3.47Å; D215-I217 PolarHBondContact O-N 2.84Å
218	K	97.1	Very high	97.3	Very high	56 Å²	56	40.3 Å²	40.3	24%	0.243	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	169.9	-179.6	66.1	-178.2	87.5	177.8	0	110.9	F208 F220 Y252	F208-K218 HydrophobicContact CB-CG 4.1Å; F208-K218 HydrophobicContact CD2-CD 4.41Å; F208-K218 HydrophobicContact CD2-CG 3.72Å; F208-K218 HydrophobicContact CG-CG 4.21Å; F208-K218 PolarHBondContact N-O 2.84Å; F208-K218 PolarHBondContact O-N 3.08Å; K218-F220 HydrophobicContact CD-CE1 4.26Å; K218-F220 HydrophobicContact CD-CE2 3.95Å; K218-F220 HydrophobicContact CD-CZ 3.46Å; K218-F220 VanDerWaalsContact CD-CZ 3.46Å; K218-F220 HydrophobicContact CG-CE2 4.44Å; K218-F220 HydrophobicContact CG-CZ 4.17Å; K218-Y252 HydrophobicContact CD-CE2 4.15Å; K218-Y252 PolarHBondContact NZ-O 3.01Å
219	S	97.4	Very high	97.3	Very high	73 Å²	73	40.3 Å²	40.3	51%	0.51	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	147.2	173.7	60.2	0	0	0	0	111.8	I206	I206-S219 CarbonylContact O-C 3.43Å; I206-S219 VanDerWaalsContact O-CA 3.26Å; I206-S219 WeakPolarHBondContact O-CA 3.37Å
220	F	95.8	Very high	97.3	Very high	31 Å²	31	39.4 Å²	39.4	14%	0.136	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154.8	176	-52.1	-54.4	0	0	0	111.2	S205 I206 F208 K218 L238 Y252 G255	S205-F220 CarbonylContact C-O 3.5Å; S205-F220 WeakPolarHBondContact CA-O 3.44Å; I206-F220 PolarHBondContact N-O 2.68Å; I206-F220 PolarHBondContact O-N 2.78Å; F208-F220 HydrophobicContact CD2-CE2 4.33Å; F208-F220 AromaticContact CE2-CD2 3.7Å; F208-F220 HydrophobicContact CE2-CD2 3.7Å; F208-F220 AromaticContact CE2-CE2 3.68Å; F208-F220 HydrophobicContact CE2-CE2 3.68Å; F208-F220 HydrophobicContact CZ-CE2 4.46Å; K218-F220 HydrophobicContact CD-CE1 4.26Å; K218-F220 HydrophobicContact CD-CE2 3.95Å; K218-F220 HydrophobicContact CD-CZ 3.46Å; K218-F220 VanDerWaalsContact CD-CZ 3.46Å; K218-F220 HydrophobicContact CG-CE2 4.44Å; K218-F220 HydrophobicContact CG-CZ 4.17Å; F220-L238 HydrophobicContact CD2-CD2 4.36Å; F220-L238 HydrophobicContact CE2-CD2 4.23Å; F220-Y252 WeakPolarHBondContact CZ-O 3.09Å; F220-G255 VanDerWaalsContact CD1-CA 3.43Å
221	E	97.2	Very high	97.3	Very high	103 Å²	103	38.1 Å²	38.1	48%	0.481	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.4	177.9	-77.1	-73.7	141.1	0	0	109.3	R204 S205	R204-E221 IonicContact CZ-OE2 3.56Å; R204-E221 IonicContact NH1-OE2 3.42Å; R204-E221 PolarHBondContact NH1-OE2 2.79Å; R204-E221 IonicContact NH2-OE2 2.72Å; R204-E221 PolarHBondContact NH2-OE2 2.87Å; S205-E221 WeakPolarHBondContact CB-OE1 3.36Å; S205-E221 PolarHBondContact OG-OE1 2.87Å
222	A	96.6	Very high	97.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	22%	0.224	C	C	.	.			trans	-80.1	158.8	175.4	0	0	0	0	0	111.4	R204 A224 I226	R204-A222 PolarHBondContact NH1-O 3.01Å; R204-A222 WeakPolarHBondContact O-CB 3.24Å; R204-A222 PolarHBondContact O-N 3.39Å; A222-A224 WeakPolarHBondContact CB-O 3.42Å; A222-A224 PolarHBondContact O-N 3.29Å; A222-I226 HydrophobicContact CB-CD1 3.59Å; A222-I226 HydrophobicContact CB-CG1 3.38Å
223	P	95.5	Very high	97.2	Very high	83 Å²	83	37.6 Å²	37.6	54%	0.539	22%	0.217	S	C	.	.	S	Bend	trans	-68	-17.8	176.5	28.6	-36.1	0	0	0	113.3	Y248 Y250	P223-Y248 HydrophobicContact CG-CD1 4.44Å; P223-Y248 HydrophobicContact CG-CE1 3.57Å; P223-Y248 HydrophobicContact CG-CE2 4.32Å; P223-Y248 VanDerWaalsContact CG-CZ 3.49Å; P223-Y248 WeakPolarHBondContact CG-OH 3.43Å; P223-Y250 VanDerWaalsContact CD-OH 3.22Å; P223-Y250 WeakPolarHBondContact CD-OH 3.19Å
224	A	96.3	Very high	97.1	Very high	16 Å²	16	42.5 Å²	42.5	13%	0.132	24%	0.236	C	C	.	.	S	Bend	trans	-137.8	169.4	179.6	0	0	0	0	0	111.5	A222 I226 D244	A222-A224 WeakPolarHBondContact CB-O 3.42Å; A222-A224 PolarHBondContact O-N 3.29Å; A224-I226 PolarHBondContact O-N 3.46Å; A224-D244 HydrophobicContact CB-CB 3.74Å; A224-D244 VanDerWaalsContact CB-CG 3.47Å; A224-D244 WeakPolarHBondContact CB-OD2 3.47Å
225	T	97.8	Very high	96.8	Very high	55 Å²	55	45.2 Å²	45.2	34%	0.337	25%	0.248	S	C	.	.			trans	-61.6	128.4	174.9	-60.8	0	0	0	0	109.8	G203 G242 E243	G203-T225 CarbonylContact O-C 3.47Å; G203-T225 VanDerWaalsContact O-CA 3.28Å; G203-T225 WeakPolarHBondContact O-CA 3.21Å; G203-T225 WeakPolarHBondContact O-CG2 3.24Å; T225-G242 VanDerWaalsContact O-CA 3.31Å; T225-G242 WeakPolarHBondContact O-CA 3.09Å; T225-E243 HydrophobicContact CG2-CG 4Å; T225-E243 PolarHBondContact O-N 2.83Å; T225-E243 VanDerWaalsContact O-N 3.08Å
226	I	98	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.9	179.9	-59.2	-56.2	0	0	0	109.2	S187 T201 G203 I206 A222 A224 S228 A240 Y248	S187-I226 PolarHBondContact OG-O 2.83Å; T201-I226 HydrophobicContact CG2-CG2 3.73Å; G203-I226 PolarHBondContact O-N 3.46Å; I206-I226 HydrophobicContact CD1-CG1 4.28Å; I206-I226 HydrophobicContact CD1-CG2 4.44Å; I206-I226 HydrophobicContact CG1-CB 4.44Å; I206-I226 HydrophobicContact CG1-CG1 4.22Å; I206-I226 HydrophobicContact CG1-CG2 4.21Å; A222-I226 HydrophobicContact CB-CD1 3.59Å; A222-I226 HydrophobicContact CB-CG1 3.38Å; A224-I226 PolarHBondContact O-N 3.46Å; I226-S228 WeakPolarHBondContact CG2-O 3.41Å; I226-A240 HydrophobicContact CD1-CB 4.16Å; I226-A240 HydrophobicContact CG2-CB 3.98Å; I226-Y248 HydrophobicContact CD1-CD2 4.36Å
227	N	98.2	Very high	96.5	Very high	21 Å²	21	43.3 Å²	43.3	11%	0.112	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-39.3	175.3	-70.1	-22.2	0	0	0	110.3	S187 S188 T201 G241 E243 I268	S187-N227 CarbonylContact C-O 3.51Å; S187-N227 WeakPolarHBondContact CB-O 3.17Å; S188-N227 WeakPolarHBondContact CB-O 3.46Å; S188-N227 PolarHBondContact OG-O 3.02Å; T201-N227 PolarHBondContact OG1-O 3.16Å; N227-G241 PolarHBondContact N-O 3.38Å; N227-E243 PolarHBondContact ND2-OE1 2.94Å; N227-I268 WeakPolarHBondContact CB-O 3.35Å; N227-I268 PolarHBondContact ND2-O 2.89Å
228	S	98.4	Very high	96.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	143.8	-178.6	-174.1	0	0	0	0	112.4	S188 I226 A240 G241 H269 V271 R272	S188-S228 WeakPolarHBondContact OG-CA 3.39Å; I226-S228 WeakPolarHBondContact CG2-O 3.41Å; S228-A240 CarbonylContact O-C 3.56Å; S228-A240 WeakPolarHBondContact O-CA 3.35Å; S228-G241 PolarHBondContact N-O 3.37Å; S228-G241 PolarHBondContact O-N 2.49Å; S228-H269 WeakPolarHBondContact CB-O 3.42Å; S228-V271 WeakPolarHBondContact O-CG1 3.33Å; S228-V271 PolarHBondContact OG-N 3.4Å; S228-V271 PolarHBondContact OG-O 2.89Å; S228-R272 PolarHBondContact OG-NH1 3.05Å; S228-R272 VanDerWaalsContact OG-NH1 3.16Å
229	A	98.5	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.4	169.2	0	0	0	0	0	109.4	V199 T201 I206 L238 V239 A240 R272	V199-A229 HydrophobicContact CG1-CB 4.13Å; T201-A229 HydrophobicContact CG2-CB 3.54Å; I206-A229 HydrophobicContact CD1-CB 4.32Å; I206-A229 HydrophobicContact CG1-CB 4.43Å; I206-A229 HydrophobicContact CG2-CB 3.87Å; A229-L238 HydrophobicContact CB-CD1 4.43Å; A229-V239 CarbonylContact C-O 3.58Å; A229-V239 WeakPolarHBondContact CA-O 3.42Å; A229-A240 HydrophobicContact CB-CB 4.01Å; A229-R272 PolarHBondContact O-NH1 2.89Å
230	S	98.4	Very high	96.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.1	172.5	-175.4	0	0	0	0	111.5	E190 L238 V239 V271 R272 F273	E190-S230 WeakPolarHBondContact OE1-CB 3.42Å; E190-S230 PolarHBondContact OE1-OG 3.21Å; E190-S230 WeakPolarHBondContact OE2-CA 3.32Å; E190-S230 PolarHBondContact OE2-OG 2.85Å; S230-L238 CarbonylContact O-C 3.6Å; S230-L238 VanDerWaalsContact O-CA 3.31Å; S230-L238 WeakPolarHBondContact O-CA 3.4Å; S230-L238 WeakPolarHBondContact O-CB 3.02Å; S230-V239 PolarHBondContact N-O 2.66Å; S230-V239 PolarHBondContact O-N 2.85Å; S230-V271 WeakPolarHBondContact CB-O 3.44Å; S230-R272 WeakPolarHBondContact OG-CA 3.43Å; S230-F273 WeakPolarHBondContact O-CE2 3.26Å; S230-F273 PolarHBondContact OG-N 2.82Å
231	L	98.3	Very high	96.8	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.3	178.9	-176.9	61.9	0	0	0	110.1	E190 I192 I197 V199 F208 K235 L238 Y252 F273	E190-L231 PolarHBondContact OE2-N 3.28Å; I192-L231 HydrophobicContact CD1-CB 4.11Å; I192-L231 HydrophobicContact CG1-CB 4.02Å; I192-L231 HydrophobicContact CG1-CD2 4.23Å; I197-L231 HydrophobicContact CD1-CD2 4.01Å; I197-L231 HydrophobicContact CG2-CD2 4.26Å; V199-L231 HydrophobicContact CG2-CB 4.1Å; F208-L231 HydrophobicContact CE1-CD1 4.34Å; F208-L231 HydrophobicContact CE1-CD2 4.36Å; L231-K235 HydrophobicContact CD2-CB 4.41Å; L231-K235 HydrophobicContact CD2-CG 4.01Å; L231-K235 HydrophobicContact CG-CG 4.44Å; L231-L238 HydrophobicContact CD1-CB 4.09Å; L231-Y252 HydrophobicContact CD1-CD1 4.47Å; L231-Y252 HydrophobicContact CD1-CD2 3.48Å; L231-Y252 VanDerWaalsContact CD1-CD2 3.48Å; L231-Y252 HydrophobicContact CD1-CE2 4.04Å; L231-Y252 HydrophobicContact CD1-CG 3.72Å; L231-Y252 HydrophobicContact CD2-CD2 4.45Å; L231-Y252 HydrophobicContact CD2-CE2 4.19Å; L231-F273 VanDerWaalsContact C-CD2 3.44Å; L231-F273 WeakPolarHBondContact O-CD2 3.49Å
232	H	97.6	Very high	96.8	Very high	16 Å²	16	26.9 Å²	26.9	7%	0.074	14%	0.142	C	C	.	.			trans	-62.2	143.6	175.1	-175.4	-96.4	0	0	0	110.6	E234 K235 F237 F273 G277	H232-E234 VanDerWaalsContact C-N 3.27Å; H232-E234 PolarHBondContact ND1-N 3.11Å; H232-E234 VanDerWaalsContact ND1-N 3.19Å; H232-E234 PolarHBondContact O-N 3.14Å; H232-K235 WeakPolarHBondContact O-CA 3.47Å; H232-K235 PolarHBondContact O-N 2.96Å; H232-F237 HydrophobicContact CB-CD2 3.82Å; H232-F237 HydrophobicContact CB-CE2 3.61Å; H232-F237 HydrophobicContact CB-CG 4.48Å; H232-F237 HydrophobicContact CB-CZ 4.1Å; H232-F237 WeakPolarHBondContact CB-O 3.19Å; H232-F237 AromaticContact CD2-CE2 3.26Å; H232-F237 WeakPolarHBondContact CD2-CE2 3.14Å; H232-F237 AromaticContact CD2-CZ 3.33Å; H232-F237 WeakPolarHBondContact CD2-CZ 3.32Å; H232-F237 AromaticContact CE1-CZ 3.96Å; H232-F237 AromaticContact CG-CE2 3.46Å; H232-F237 VanDerWaalsContact CG-CE2 3.46Å; H232-F237 AromaticContact CG-CZ 3.53Å; H232-F237 PolarHBondContact N-O 2.87Å; H232-F237 AromaticContact ND1-CZ 3.92Å; H232-F237 AromaticContact NE2-CZ 3.61Å; H232-F273 HydrophobicContact CB-CD2 4.2Å; H232-F273 HydrophobicContact CB-CE1 4.41Å; H232-F273 HydrophobicContact CB-CE2 3.86Å; H232-F273 HydrophobicContact CB-CZ 4Å; H232-F273 AromaticContact CD2-CD1 3.88Å; H232-F273 AromaticContact CD2-CE1 3.74Å; H232-G277 PolarHBondContact CD2-O 3.44Å; H232-G277 WeakPolarHBondContact NE2-CA 3.21Å; H232-G277 PolarHBondContact NE2-O 2.79Å; H232-G277 VanDerWaalsContact NE2-O 3.15Å
233	P	93.7	Very high	96.8	Very high	29 Å²	29	31.1 Å²	31.1	19%	0.188	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-39.6	-178.4	-29.5	36.1	0	0	0	114.4	K235	P233-K235 VanDerWaalsContact C-N 3.27Å; P233-K235 PolarHBondContact O-N 2.63Å
234	E	93.4	Very high	96.9	Very high	142 Å²	142	29.5 Å²	29.5	66%	0.664	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-1.3	176.4	-60.2	-59.3	139.9	0	0	114.2	H232 E236	H232-E234 VanDerWaalsContact C-N 3.27Å; H232-E234 PolarHBondContact ND1-N 3.11Å; H232-E234 VanDerWaalsContact ND1-N 3.19Å; H232-E234 PolarHBondContact O-N 3.14Å; E234-E236 VanDerWaalsContact C-N 3.3Å; E234-E236 HydrophobicContact CB-CG 4.28Å; E234-E236 PolarHBondContact O-N 3.13Å
235	K	92.8	Very high	96.9	Very high	57 Å²	57	32.8 Å²	32.8	25%	0.248	16%	0.16	C	C	.	.	S	Bend	trans	59.3	32.3	175.5	-49.4	163.6	-171.8	167.6	0	115	E194 I197 L231 H232 P233 Y252	E194-K235 WeakPolarHBondContact O-CE 3.17Å; E194-K235 PolarHBondContact O-NZ 3.34Å; I197-K235 HydrophobicContact CD1-CD 3.94Å; I197-K235 HydrophobicContact CD1-CG 4.49Å; L231-K235 HydrophobicContact CD2-CB 4.41Å; L231-K235 HydrophobicContact CD2-CG 4.01Å; L231-K235 HydrophobicContact CG-CG 4.44Å; H232-K235 WeakPolarHBondContact O-CA 3.47Å; H232-K235 PolarHBondContact O-N 2.96Å; P233-K235 VanDerWaalsContact C-N 3.27Å; P233-K235 PolarHBondContact O-N 2.63Å; K235-Y252 HydrophobicContact CB-CD1 4.13Å; K235-Y252 HydrophobicContact CB-CE1 4.24Å; K235-Y252 WeakPolarHBondContact O-CD1 3.32Å
236	E	92.8	Very high	96.8	Very high	116 Å²	116	33 Å²	33	54%	0.542	16%	0.156	S	C	.	.	S	Bend	trans	-88.5	-37.3	177.1	-61.2	-175	122.5	0	0	111.6	E234 Y252	E234-E236 VanDerWaalsContact C-N 3.3Å; E234-E236 HydrophobicContact CB-CG 4.28Å; E234-E236 PolarHBondContact O-N 3.13Å; E236-Y252 WeakPolarHBondContact O-CB 3.24Å; E236-Y252 PolarHBondContact O-N 2.92Å
237	F	96.2	Very high	96.7	Very high	24 Å²	24	33.1 Å²	33.1	11%	0.105	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	166	-179.6	46.1	-93.5	0	0	0	110.6	H232 K249 Y250 L258 F273 T294	H232-F237 HydrophobicContact CB-CD2 3.82Å; H232-F237 HydrophobicContact CB-CE2 3.61Å; H232-F237 HydrophobicContact CB-CG 4.48Å; H232-F237 HydrophobicContact CB-CZ 4.1Å; H232-F237 WeakPolarHBondContact CB-O 3.19Å; H232-F237 AromaticContact CD2-CE2 3.26Å; H232-F237 WeakPolarHBondContact CD2-CE2 3.14Å; H232-F237 AromaticContact CD2-CZ 3.33Å; H232-F237 WeakPolarHBondContact CD2-CZ 3.32Å; H232-F237 AromaticContact CE1-CZ 3.96Å; H232-F237 AromaticContact CG-CE2 3.46Å; H232-F237 VanDerWaalsContact CG-CE2 3.46Å; H232-F237 AromaticContact CG-CZ 3.53Å; H232-F237 PolarHBondContact N-O 2.87Å; H232-F237 AromaticContact ND1-CZ 3.92Å; H232-F237 AromaticContact NE2-CZ 3.61Å; F237-K249 HydrophobicContact CB-CG 4.45Å; F237-K249 HydrophobicContact CD2-CG 4.48Å; F237-Y250 CarbonylContact C-O 3.5Å; F237-Y250 WeakPolarHBondContact CA-O 3.39Å; F237-Y250 WeakPolarHBondContact CB-O 3.39Å; F237-L258 HydrophobicContact CB-CD1 4.27Å; F237-F273 HydrophobicContact CD2-CE1 4.46Å; F237-F273 HydrophobicContact CD2-CE2 4.5Å; F237-F273 AromaticContact CD2-CZ 3.75Å; F237-F273 HydrophobicContact CD2-CZ 3.75Å; F237-F273 AromaticContact CE2-CE1 3.87Å; F237-F273 HydrophobicContact CE2-CE1 3.87Å; F237-F273 AromaticContact CE2-CZ 3.61Å; F237-F273 HydrophobicContact CE2-CZ 3.61Å; F237-T294 HydrophobicContact CE1-CG2 4.36Å; F237-T294 HydrophobicContact CE2-CG2 3.4Å; F237-T294 HydrophobicContact CZ-CG2 3.22Å
238	L	97.8	Very high	96.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	159.5	172.1	65.9	132.2	0	0	0	110.3	I206 F208 F220 A229 S230 L231 K249 Y250 Y252	I206-L238 HydrophobicContact CD1-CD1 3.83Å; I206-L238 HydrophobicContact CG2-CD1 3.94Å; F208-L238 HydrophobicContact CE2-CD2 4.5Å; F208-L238 HydrophobicContact CZ-CD1 4.1Å; F208-L238 HydrophobicContact CZ-CD2 3.91Å; F208-L238 HydrophobicContact CZ-CG 4.43Å; F220-L238 HydrophobicContact CD2-CD2 4.36Å; F220-L238 HydrophobicContact CE2-CD2 4.23Å; A229-L238 HydrophobicContact CB-CD1 4.43Å; S230-L238 CarbonylContact O-C 3.6Å; S230-L238 VanDerWaalsContact O-CA 3.31Å; S230-L238 WeakPolarHBondContact O-CA 3.4Å; S230-L238 WeakPolarHBondContact O-CB 3.02Å; L231-L238 HydrophobicContact CD1-CB 4.09Å; L238-K249 CarbonylContact O-C 3.59Å; L238-K249 WeakPolarHBondContact O-CA 3.45Å; L238-Y250 HydrophobicContact CD1-CD2 4.13Å; L238-Y250 HydrophobicContact CG-CD2 4.35Å; L238-Y250 PolarHBondContact N-O 2.81Å; L238-Y250 PolarHBondContact O-N 2.58Å; L238-Y252 HydrophobicContact CD2-CD2 4.32Å
239	V	98.4	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	147.2	168.9	-66.9	0	0	0	0	110.4	A229 S230 Y248 K249 V271 F273 Y280	A229-V239 CarbonylContact C-O 3.58Å; A229-V239 WeakPolarHBondContact CA-O 3.42Å; S230-V239 PolarHBondContact N-O 2.66Å; S230-V239 PolarHBondContact O-N 2.85Å; V239-Y248 CarbonylContact C-O 3.58Å; V239-Y248 WeakPolarHBondContact CA-O 3.34Å; V239-K249 HydrophobicContact CG1-CB 4.47Å; V239-K249 HydrophobicContact CG1-CG 4.44Å; V239-V271 HydrophobicContact CB-CG2 4.31Å; V239-V271 HydrophobicContact CG2-CG1 4.26Å; V239-V271 HydrophobicContact CG2-CG2 3.5Å; V239-F273 HydrophobicContact CB-CE2 4.23Å; V239-F273 HydrophobicContact CB-CZ 4.3Å; V239-F273 HydrophobicContact CG1-CE1 4.41Å; V239-F273 HydrophobicContact CG1-CE2 4.01Å; V239-F273 HydrophobicContact CG1-CZ 3.59Å; V239-F273 HydrophobicContact CG2-CD2 4.02Å; V239-F273 HydrophobicContact CG2-CE2 3.57Å; V239-F273 HydrophobicContact CG2-CZ 3.93Å; V239-Y280 HydrophobicContact CB-CD2 4.21Å; V239-Y280 HydrophobicContact CB-CE2 4.28Å; V239-Y280 HydrophobicContact CG1-CD1 4.05Å; V239-Y280 HydrophobicContact CG1-CD2 4.05Å; V239-Y280 HydrophobicContact CG1-CE1 3.94Å; V239-Y280 HydrophobicContact CG1-CE2 3.89Å; V239-Y280 HydrophobicContact CG1-CG 4.13Å; V239-Y280 HydrophobicContact CG2-CD2 3.97Å; V239-Y280 HydrophobicContact CG2-CG 4.06Å
240	A	98.5	Very high	96.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	148.4	179.1	0	0	0	0	0	111.4	I206 I226 S228 A229 L247 Y248 Y250	I206-A240 HydrophobicContact CD1-CB 3.55Å; I226-A240 HydrophobicContact CD1-CB 4.16Å; I226-A240 HydrophobicContact CG2-CB 3.98Å; S228-A240 CarbonylContact O-C 3.56Å; S228-A240 WeakPolarHBondContact O-CA 3.35Å; A229-A240 HydrophobicContact CB-CB 4.01Å; A240-L247 CarbonylContact O-C 3.5Å; A240-L247 WeakPolarHBondContact O-CA 3.41Å; A240-Y248 PolarHBondContact N-O 2.83Å; A240-Y248 PolarHBondContact O-N 2.96Å; A240-Y250 HydrophobicContact CB-CE2 4.21Å
241	G	98.1	Very high	96.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153	176.3	0	0	0	0	0	111.9	N227 S228	N227-G241 PolarHBondContact N-O 3.38Å; S228-G241 PolarHBondContact N-O 3.37Å; S228-G241 PolarHBondContact O-N 2.49Å
242	G	97.1	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	-138.5	178.9	0	0	0	0	0	114.6	T225 D244 F245 P267 I268	T225-G242 VanDerWaalsContact O-CA 3.31Å; T225-G242 WeakPolarHBondContact O-CA 3.09Å; G242-D244 VanDerWaalsContact C-N 3.29Å; G242-D244 PolarHBondContact O-N 2.81Å; G242-F245 PolarHBondContact O-N 3.1Å; G242-P267 WeakPolarHBondContact O-CA 3.27Å; G242-I268 PolarHBondContact O-N 3.29Å
243	E	97.2	Very high	96.4	Very high	90 Å²	90	40.8 Å²	40.8	42%	0.421	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.9	-164.7	-68.6	-61.5	136.3	0	0	115	T225 N227 F245 P267	T225-E243 HydrophobicContact CG2-CG 4Å; T225-E243 PolarHBondContact O-N 2.83Å; T225-E243 VanDerWaalsContact O-N 3.08Å; N227-E243 PolarHBondContact ND2-OE1 2.94Å; E243-F245 WeakPolarHBondContact O-CD1 3.23Å; E243-F245 WeakPolarHBondContact O-CE1 3.41Å; E243-P267 WeakPolarHBondContact OE2-CG 3.19Å
244	D	96.8	Very high	96.5	Very high	50 Å²	50	42.4 Å²	42.4	27%	0.267	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7.2	-179.2	72.9	-18.2	0	0	0	113.9	A224 G242 K246 Y248	A224-D244 HydrophobicContact CB-CB 3.74Å; A224-D244 VanDerWaalsContact CB-CG 3.47Å; A224-D244 WeakPolarHBondContact CB-OD2 3.47Å; G242-D244 VanDerWaalsContact C-N 3.29Å; G242-D244 PolarHBondContact O-N 2.81Å; D244-K246 PolarHBondContact O-N 2.78Å; D244-K246 VanDerWaalsContact O-N 3.13Å; D244-K246 PolarHBondContact OD1-N 3.27Å; D244-Y248 WeakPolarHBondContact OD2-CE2 3.39Å; D244-Y248 PolarHBondContact OD2-OH 3.09Å
245	F	96.1	Very high	96.6	Very high	84 Å²	84	36.5 Å²	36.5	37%	0.368	18%	0.184	S	C	.	.	S	Bend	trans	68.8	8.5	171.2	-38.3	-17.4	0	0	0	113.6	G242 E243 G266 P267	G242-F245 PolarHBondContact O-N 3.1Å; E243-F245 WeakPolarHBondContact O-CD1 3.23Å; E243-F245 WeakPolarHBondContact O-CE1 3.41Å; F245-G266 VanDerWaalsContact CD1-O 3.31Å; F245-G266 WeakPolarHBondContact CD1-O 3.34Å; F245-G266 WeakPolarHBondContact CG-O 3.41Å; F245-P267 HydrophobicContact CD1-CG 4.23Å; F245-P267 HydrophobicContact CE1-CB 4.5Å; F245-P267 HydrophobicContact CE1-CG 3.7Å; F245-P267 VanDerWaalsContact CE1-N 3.32Å
246	K	96.2	Very high	96.7	Very high	61 Å²	61	40.3 Å²	40.3	27%	0.265	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.2	176.1	-69.6	-178.4	-175	175.8	0	110.7	D244 Y248 Y261 K262 I268	D244-K246 PolarHBondContact O-N 2.78Å; D244-K246 VanDerWaalsContact O-N 3.13Å; D244-K246 PolarHBondContact OD1-N 3.27Å; K246-Y248 HydrophobicContact CB-CD2 4.41Å; K246-Y248 HydrophobicContact CB-CE2 3.81Å; K246-Y248 HydrophobicContact CD-CE1 4.39Å; K246-Y248 WeakPolarHBondContact CD-OH 3.29Å; K246-Y261 WeakPolarHBondContact CA-O 3.28Å; K246-K262 HydrophobicContact CG-CG 4.07Å; K246-I268 VanDerWaalsContact O-CD1 3.24Å; K246-I268 WeakPolarHBondContact O-CD1 3.13Å
247	L	97	Very high	96.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.3	160	-78.7	157.2	0	0	0	108.8	A240 S260 Y261 I268 V271 Y280 W292	A240-L247 CarbonylContact O-C 3.5Å; A240-L247 WeakPolarHBondContact O-CA 3.41Å; L247-S260 CarbonylContact O-C 3.49Å; L247-S260 WeakPolarHBondContact O-CA 3.36Å; L247-Y261 HydrophobicContact CB-CD2 4.17Å; L247-Y261 PolarHBondContact N-O 2.9Å; L247-Y261 PolarHBondContact O-N 3.4Å; L247-I268 HydrophobicContact CD2-CD1 4.1Å; L247-I268 HydrophobicContact CG-CD1 3.74Å; L247-V271 HydrophobicContact CD2-CB 4.36Å; L247-V271 HydrophobicContact CD2-CG2 3.87Å; L247-Y280 HydrophobicContact CD1-CE2 4.11Å; L247-Y280 HydrophobicContact CD2-CE2 4.45Å; L247-W292 HydrophobicContact CD1-CD2 3.59Å; L247-W292 HydrophobicContact CD1-CE3 4.24Å; L247-W292 HydrophobicContact CD1-CG 4.05Å; L247-W292 HydrophobicContact CD1-CH2 3.86Å; L247-W292 HydrophobicContact CD1-CZ2 3.23Å; L247-W292 HydrophobicContact CD1-CZ3 4.34Å
248	Y	97.7	Very high	96.9	Very high	4 Å²	4	42 Å²	42	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.8	174.6	-65.5	-83.1	0	0	0	109.1	P223 I226 V239 A240 D244 K246 Y250 E257	P223-Y248 HydrophobicContact CG-CD1 4.44Å; P223-Y248 HydrophobicContact CG-CE1 3.57Å; P223-Y248 HydrophobicContact CG-CE2 4.32Å; P223-Y248 VanDerWaalsContact CG-CZ 3.49Å; P223-Y248 WeakPolarHBondContact CG-OH 3.43Å; I226-Y248 HydrophobicContact CD1-CD2 4.36Å; V239-Y248 CarbonylContact C-O 3.58Å; V239-Y248 WeakPolarHBondContact CA-O 3.34Å; A240-Y248 PolarHBondContact N-O 2.83Å; A240-Y248 PolarHBondContact O-N 2.96Å; D244-Y248 WeakPolarHBondContact OD2-CE2 3.39Å; D244-Y248 PolarHBondContact OD2-OH 3.09Å; K246-Y248 HydrophobicContact CB-CD2 4.41Å; K246-Y248 HydrophobicContact CB-CE2 3.81Å; K246-Y248 HydrophobicContact CD-CE1 4.39Å; K246-Y248 WeakPolarHBondContact CD-OH 3.29Å; Y248-Y250 WeakPolarHBondContact CD1-OH 3.37Å; Y248-Y250 HydrophobicContact CG-CE2 4.04Å; Y248-Y250 AromaticContact CG-CZ 3.93Å; Y248-E257 HydrophobicContact CD1-CG 4.23Å; Y248-E257 WeakPolarHBondContact CD1-OE2 3.42Å; Y248-E257 WeakPolarHBondContact CE1-OE2 3.46Å
249	K	97.4	Very high	96.7	Very high	21 Å²	21	46 Å²	46	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.2	167.2	-173.7	177.8	179.5	-178.1	0	107.6	F237 L238 V239 L258 E259 Y261 T294	F237-K249 HydrophobicContact CB-CG 4.45Å; F237-K249 HydrophobicContact CD2-CG 4.48Å; L238-K249 CarbonylContact O-C 3.59Å; L238-K249 WeakPolarHBondContact O-CA 3.45Å; V239-K249 HydrophobicContact CG1-CB 4.47Å; V239-K249 HydrophobicContact CG1-CG 4.44Å; K249-L258 HydrophobicContact CG-CD1 4.47Å; K249-L258 WeakPolarHBondContact O-CB 3.4Å; K249-L258 PolarHBondContact O-N 3.16Å; K249-E259 HydrophobicContact CB-CB 4.29Å; K249-E259 PolarHBondContact N-O 2.58Å; K249-E259 PolarHBondContact O-N 3.43Å; K249-Y261 HydrophobicContact CB-CE2 4.33Å; K249-T294 PolarHBondContact NZ-O 2.71Å
250	Y	98.1	Very high	96.5	Very high	9 Å²	9	48.3 Å²	48.3	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.7	-179.9	-61.8	-80.7	0	0	0	110.7	I206 P223 F237 L238 A240 Y248 E256 E257	I206-Y250 HydrophobicContact CD1-CD2 4.34Å; I206-Y250 HydrophobicContact CD1-CE2 4.13Å; P223-Y250 VanDerWaalsContact CD-OH 3.22Å; P223-Y250 WeakPolarHBondContact CD-OH 3.19Å; F237-Y250 CarbonylContact C-O 3.5Å; F237-Y250 WeakPolarHBondContact CA-O 3.39Å; F237-Y250 WeakPolarHBondContact CB-O 3.39Å; L238-Y250 HydrophobicContact CD1-CD2 4.13Å; L238-Y250 HydrophobicContact CG-CD2 4.35Å; L238-Y250 PolarHBondContact N-O 2.81Å; L238-Y250 PolarHBondContact O-N 2.58Å; A240-Y250 HydrophobicContact CB-CE2 4.21Å; Y248-Y250 WeakPolarHBondContact CD1-OH 3.37Å; Y248-Y250 HydrophobicContact CG-CE2 4.04Å; Y248-Y250 AromaticContact CG-CZ 3.93Å; Y250-E256 CarbonylContact C-O 3.59Å; Y250-E256 VanDerWaalsContact CA-O 3.27Å; Y250-E256 WeakPolarHBondContact CA-O 3.2Å; Y250-E257 VanDerWaalsContact CD1-CA 3.49Å; Y250-E257 HydrophobicContact CD1-CB 3.97Å; Y250-E257 HydrophobicContact CD1-CG 4.5Å; Y250-E257 HydrophobicContact CE1-CB 3.69Å; Y250-E257 HydrophobicContact CE1-CG 4.07Å
251	D	97.6	Very high	96.3	Very high	41 Å²	41	49.4 Å²	49.4	22%	0.219	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.1	163.8	-177.8	-84.8	0	0	0	109.4	N253 S254 G255 E256 L258	D251-N253 VanDerWaalsContact C-N 3.29Å; D251-N253 PolarHBondContact O-N 2.78Å; D251-N253 WeakPolarHBondContact OD1-CA 3.39Å; D251-N253 WeakPolarHBondContact OD1-CB 3.49Å; D251-N253 PolarHBondContact OD1-N 3.21Å; D251-S254 WeakPolarHBondContact CB-OG 3.29Å; D251-S254 PolarHBondContact OD1-N 2.51Å; D251-S254 PolarHBondContact OD1-OG 2.79Å; D251-G255 VanDerWaalsContact O-CA 3.23Å; D251-G255 WeakPolarHBondContact O-CA 3.47Å; D251-G255 PolarHBondContact O-N 2.89Å; D251-E256 PolarHBondContact N-O 2.68Å; D251-L258 HydrophobicContact CB-CD1 4.15Å; D251-L258 HydrophobicContact CB-CD2 4.14Å; D251-L258 HydrophobicContact CB-CG 4.16Å
252	Y	96.8	Very high	96.1	Very high	18 Å²	18	57.5 Å²	57.5	7%	0.071	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-24.1	-176.2	171.7	-111.8	0	0	0	112.9	F208 K218 F220 L231 K235 E236 L238	F208-Y252 HydrophobicContact CD1-CD2 4.39Å; F208-Y252 AromaticContact CD1-CE2 3.61Å; F208-Y252 HydrophobicContact CD1-CE2 3.61Å; F208-Y252 HydrophobicContact CD2-CE2 4.18Å; F208-Y252 AromaticContact CE1-CD2 3.95Å; F208-Y252 HydrophobicContact CE1-CD2 3.95Å; F208-Y252 AromaticContact CE1-CE2 3.62Å; F208-Y252 HydrophobicContact CE1-CE2 3.62Å; F208-Y252 HydrophobicContact CE2-CD2 4.36Å; F208-Y252 HydrophobicContact CE2-CE2 4.2Å; F208-Y252 AromaticContact CG-CE2 3.88Å; F208-Y252 HydrophobicContact CG-CE2 3.88Å; F208-Y252 AromaticContact CZ-CD2 3.93Å; F208-Y252 HydrophobicContact CZ-CD2 3.93Å; F208-Y252 AromaticContact CZ-CE2 3.93Å; F208-Y252 HydrophobicContact CZ-CE2 3.93Å; K218-Y252 HydrophobicContact CD-CE2 4.15Å; K218-Y252 PolarHBondContact NZ-O 3.01Å; F220-Y252 WeakPolarHBondContact CZ-O 3.09Å; L231-Y252 HydrophobicContact CD1-CD1 4.47Å; L231-Y252 HydrophobicContact CD1-CD2 3.48Å; L231-Y252 VanDerWaalsContact CD1-CD2 3.48Å; L231-Y252 HydrophobicContact CD1-CE2 4.04Å; L231-Y252 HydrophobicContact CD1-CG 3.72Å; L231-Y252 HydrophobicContact CD2-CD2 4.45Å; L231-Y252 HydrophobicContact CD2-CE2 4.19Å; K235-Y252 HydrophobicContact CB-CD1 4.13Å; K235-Y252 HydrophobicContact CB-CE1 4.24Å; K235-Y252 WeakPolarHBondContact O-CD1 3.32Å; E236-Y252 WeakPolarHBondContact O-CB 3.24Å; E236-Y252 PolarHBondContact O-N 2.92Å; L238-Y252 HydrophobicContact CD2-CD2 4.32Å
253	N	95.6	Very high	95.8	Very high	110 Å²	110	58.2 Å²	58.2	59%	0.588	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-49	-175.9	-65.4	-57.9	0	0	0	111.5	D251	D251-N253 VanDerWaalsContact C-N 3.29Å; D251-N253 PolarHBondContact O-N 2.78Å; D251-N253 WeakPolarHBondContact OD1-CA 3.39Å; D251-N253 WeakPolarHBondContact OD1-CB 3.49Å; D251-N253 PolarHBondContact OD1-N 3.21Å
254	S	95.6	Very high	95.7	Very high	63 Å²	63	54.5 Å²	54.5	44%	0.441	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-28	-178.3	69.9	0	0	0	0	113.5	D251 E256	D251-S254 WeakPolarHBondContact CB-OG 3.29Å; D251-S254 PolarHBondContact OD1-N 2.51Å; D251-S254 PolarHBondContact OD1-OG 2.79Å; S254-E256 WeakPolarHBondContact OG-CB 3.35Å; S254-E256 WeakPolarHBondContact OG-CG 3.5Å; S254-E256 PolarHBondContact OG-N 3.16Å; S254-E256 VanDerWaalsContact OG-N 3.14Å
255	G	94.6	Very high	95.7	Very high	17 Å²	17	60.1 Å²	60.1	18%	0.175	30%	0.3	C	S	.	.			trans	77.3	9	-170.3	0	0	0	0	0	114	F220 D251	F220-G255 VanDerWaalsContact CD1-CA 3.43Å; D251-G255 VanDerWaalsContact O-CA 3.23Å; D251-G255 WeakPolarHBondContact O-CA 3.47Å; D251-G255 PolarHBondContact O-N 2.89Å
256	E	96.1	Very high	95.8	Very high	137 Å²	137	56.3 Å²	56.3	64%	0.64	29%	0.285	S	S	*	.			trans	-71.4	139.1	178.1	-69.8	-178.2	155.5	0	0	111.1	Y250 D251 S254 L258	Y250-E256 CarbonylContact C-O 3.59Å; Y250-E256 VanDerWaalsContact CA-O 3.27Å; Y250-E256 WeakPolarHBondContact CA-O 3.2Å; D251-E256 PolarHBondContact N-O 2.68Å; S254-E256 WeakPolarHBondContact OG-CB 3.35Å; S254-E256 WeakPolarHBondContact OG-CG 3.5Å; S254-E256 PolarHBondContact OG-N 3.16Å; S254-E256 VanDerWaalsContact OG-N 3.14Å; E256-L258 PolarHBondContact O-N 3.42Å
257	E	96.8	Very high	95.9	Very high	91 Å²	91	54.4 Å²	54.4	43%	0.425	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	115.1	172	-172.5	177.7	139.2	0	0	108.7	Y248 Y250 S260	Y248-E257 HydrophobicContact CD1-CG 4.23Å; Y248-E257 WeakPolarHBondContact CD1-OE2 3.42Å; Y248-E257 WeakPolarHBondContact CE1-OE2 3.46Å; Y250-E257 VanDerWaalsContact CD1-CA 3.49Å; Y250-E257 HydrophobicContact CD1-CB 3.97Å; Y250-E257 HydrophobicContact CD1-CG 4.5Å; Y250-E257 HydrophobicContact CE1-CB 3.69Å; Y250-E257 HydrophobicContact CE1-CG 4.07Å; E257-S260 VanDerWaalsContact OE1-CB 3.27Å; E257-S260 WeakPolarHBondContact OE1-CB 3.17Å; E257-S260 PolarHBondContact OE1-OG 3.1Å
258	L	95	Very high	95.9	Very high	85 Å²	85	54.4 Å²	54.4	45%	0.445	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-51.1	175.5	-62.8	176.5	0	0	0	109.9	F237 K249 D251 E256	F237-L258 HydrophobicContact CB-CD1 4.27Å; K249-L258 HydrophobicContact CG-CD1 4.47Å; K249-L258 WeakPolarHBondContact O-CB 3.4Å; K249-L258 PolarHBondContact O-N 3.16Å; D251-L258 HydrophobicContact CB-CD1 4.15Å; D251-L258 HydrophobicContact CB-CD2 4.14Å; D251-L258 HydrophobicContact CB-CG 4.16Å; E256-L258 PolarHBondContact O-N 3.42Å
259	E	94.3	Very high	96	Very high	83 Å²	83	56.2 Å²	56.2	39%	0.388	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	153.1	-174.4	-60.5	-176.1	129.8	0	0	110.5	K249 Y261	K249-E259 HydrophobicContact CB-CB 4.29Å; K249-E259 PolarHBondContact N-O 2.58Å; K249-E259 PolarHBondContact O-N 3.43Å; E259-Y261 HydrophobicContact CB-CE1 3.87Å; E259-Y261 HydrophobicContact CB-CE2 4.21Å; E259-Y261 WeakPolarHBondContact CB-OH 3.31Å; E259-Y261 PolarHBondContact OE2-OH 2.98Å
260	S	94.5	Very high	96	Very high	50 Å²	50	55.4 Å²	55.4	35%	0.35	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	139.4	167.7	54.2	0	0	0	0	112.2	L247 E257	L247-S260 CarbonylContact O-C 3.49Å; L247-S260 WeakPolarHBondContact O-CA 3.36Å; E257-S260 VanDerWaalsContact OE1-CB 3.27Å; E257-S260 WeakPolarHBondContact OE1-CB 3.17Å; E257-S260 PolarHBondContact OE1-OG 3.1Å
261	Y	93.8	Very high	96	Very high	22 Å²	22	55 Å²	55	9%	0.086	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.8	-170.9	-38.8	-79.5	0	0	0	111	Q5 K246 L247 K249 E259 Y280	Q5-Y261 HydrophobicContact CB-CD1 3.66Å; Q5-Y261 HydrophobicContact CB-CE1 3.76Å; Q5-Y261 VanDerWaalsContact CD-CZ 3.44Å; Q5-Y261 HydrophobicContact CG-CD1 4.06Å; Q5-Y261 HydrophobicContact CG-CE1 4.15Å; Q5-Y261 HydrophobicContact CG-CG 4.49Å; Q5-Y261 VanDerWaalsContact NE2-CZ 3.28Å; Q5-Y261 VanDerWaalsContact OE1-CE1 3.28Å; Q5-Y261 PolarHBondContact OE1-OH 3.21Å; K246-Y261 WeakPolarHBondContact CA-O 3.28Å; L247-Y261 HydrophobicContact CB-CD2 4.17Å; L247-Y261 PolarHBondContact N-O 2.9Å; L247-Y261 PolarHBondContact O-N 3.4Å; K249-Y261 HydrophobicContact CB-CE2 4.33Å; E259-Y261 HydrophobicContact CB-CE1 3.87Å; E259-Y261 HydrophobicContact CB-CE2 4.21Å; E259-Y261 WeakPolarHBondContact CB-OH 3.31Å; E259-Y261 PolarHBondContact OE2-OH 2.98Å; Y261-Y280 WeakPolarHBondContact CE2-OH 3.35Å
262	K	93.7	Very high	96.1	Very high	171 Å²	171	54 Å²	54	74%	0.743	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.5	168.7	-66.7	-178.2	179.1	-176.1	0	109.1	K246	K246-K262 HydrophobicContact CG-CG 4.07Å
263	G	90.5	Very high	96.2	Very high	15 Å²	15	53.8 Å²	53.8	16%	0.155	28%	0.275	C	S	.	.			trans	-167.7	-42.6	170.5	0	0	0	0	0	112.8	R290	G263-R290 VanDerWaalsContact C-CZ 3.42Å; G263-R290 PolarHBondContact O-NH1 3.38Å; G263-R290 PolarHBondContact O-NH2 2.49Å
264	H	96.3	Very high	96.3	Very high	11 Å²	11	48.6 Å²	48.6	5%	0.051	25%	0.247	C	C	.	.			trans	-69.4	153.1	175.3	-78	-65.2	0	0	0	112.5	I268 S282 S284 D286 T288	H264-I268 HydrophobicContact CB-CG1 4.27Å; H264-S282 PolarHBondContact CD2-OG 3.17Å; H264-S282 PolarHBondContact NE2-OG 2.95Å; H264-S284 VanDerWaalsContact CE1-CB 3.49Å; H264-S284 WeakPolarHBondContact CE1-CB 3.11Å; H264-S284 WeakPolarHBondContact ND1-CB 3.47Å; H264-D286 WeakPolarHBondContact CA-OD2 3.38Å; H264-D286 IonicContact CE1-OD1 3.62Å; H264-D286 IonicContact CG-OD2 2.95Å; H264-D286 IonicContact ND1-OD1 3.97Å; H264-D286 PolarHBondContact ND1-OD1 3.16Å; H264-D286 IonicContact ND1-OD2 3.04Å; H264-D286 PolarHBondContact ND1-OD2 2.68Å; H264-T288 PolarHBondContact CE1-OG1 2.82Å; H264-T288 VanDerWaalsContact CE1-OG1 3.28Å; H264-T288 PolarHBondContact ND1-OG1 2.62Å
265	F	95.9	Very high	96.3	Very high	168 Å²	168	47.7 Å²	47.7	74%	0.737	24%	0.24	S	C	*	.	S	Bend	trans	-108.9	16	178.7	-62.7	-78.1	0	0	0	112.7	D286	F265-D286 HydrophobicContact CB-CB 4.2Å; F265-D286 PolarHBondContact N-OD2 3.25Å
266	G	97.5	Very high	96.4	Very high	5 Å²	5	49.4 Å²	49.4	5%	0.052	25%	0.245	C	C	.	.	S	Bend	trans	-162.4	177.5	175	0	0	0	0	0	111.5	F245 I268 S284	F245-G266 VanDerWaalsContact CD1-O 3.31Å; F245-G266 WeakPolarHBondContact CD1-O 3.34Å; F245-G266 WeakPolarHBondContact CG-O 3.41Å; G266-I268 PolarHBondContact O-N 2.96Å; G266-S284 PolarHBondContact O-OG 2.72Å; G266-S284 VanDerWaalsContact O-OG 3.06Å
267	P	98.3	Very high	96.5	Very high	21 Å²	21	42.9 Å²	42.9	14%	0.136	22%	0.215	C	C	.	.			trans	-50.1	138.9	178.6	-29.8	34.8	0	0	0	112.2	G242 E243 F245 S284 E285	G242-P267 WeakPolarHBondContact O-CA 3.27Å; E243-P267 WeakPolarHBondContact OE2-CG 3.19Å; F245-P267 HydrophobicContact CD1-CG 4.23Å; F245-P267 HydrophobicContact CE1-CB 4.5Å; F245-P267 HydrophobicContact CE1-CG 3.7Å; F245-P267 VanDerWaalsContact CE1-N 3.32Å; P267-S284 CarbonylContact O-C 3.59Å; P267-S284 VanDerWaalsContact O-CA 3.22Å; P267-S284 WeakPolarHBondContact O-CA 3.26Å; P267-S284 WeakPolarHBondContact O-CB 3.07Å; P267-S284 PolarHBondContact O-OG 3.03Å; P267-E285 HydrophobicContact CB-CB 4.34Å; P267-E285 HydrophobicContact CG-CB 4.34Å; P267-E285 PolarHBondContact O-N 3.33Å
268	I	98.6	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.1	170.9	-63	156.7	0	0	0	106.5	N227 G242 K246 L247 H264 G266	N227-I268 WeakPolarHBondContact CB-O 3.35Å; N227-I268 PolarHBondContact ND2-O 2.89Å; G242-I268 PolarHBondContact O-N 3.29Å; K246-I268 VanDerWaalsContact O-CD1 3.24Å; K246-I268 WeakPolarHBondContact O-CD1 3.13Å; L247-I268 HydrophobicContact CD2-CD1 4.1Å; L247-I268 HydrophobicContact CG-CD1 3.74Å; H264-I268 HydrophobicContact CB-CG1 4.27Å; G266-I268 PolarHBondContact O-N 2.96Å
269	H	98.4	Very high	96.6	Very high	43 Å²	43	36.9 Å²	36.9	20%	0.199	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-34.9	-177.7	-70.6	-51.6	0	0	0	112.6	V17 S228 G283 E285	V17-H269 PolarHBondContact O-CD2 2.86Å; S228-H269 WeakPolarHBondContact CB-O 3.42Å; H269-G283 PolarHBondContact N-O 3.34Å; H269-E285 PolarHBondContact CD2-N 3.29Å; H269-E285 IonicContact CD2-OE2 3.61Å; H269-E285 IonicContact CE1-OE2 3.88Å; H269-E285 PolarHBondContact CE1-OE2 3.48Å; H269-E285 IonicContact NE2-OE2 2.97Å; H269-E285 PolarHBondContact NE2-OE2 3.04Å
270	C	98.4	Very high	96.8	Very high	3 Å²	3	33 Å²	33	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144	-176	54.5	0	0	0	0	110.7	L20 S282 G283	L20-C270 HydrophobicContact CD2-CB 4.44Å; L20-C270 VanDerWaalsContact CD2-SG 3.57Å; L20-C270 HydrophobicContact CG-CB 4.2Å; C270-S282 CarbonylContact O-C 3.48Å; C270-S282 VanDerWaalsContact O-CA 3.25Å; C270-S282 WeakPolarHBondContact O-CA 3.33Å; C270-G283 PolarHBondContact N-O 2.82Å; C270-G283 PolarHBondContact O-N 2.63Å
271	V	98.6	Very high	97	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	136.8	170.1	67.9	0	0	0	0	109.5	S228 S230 V239 L247 Y280 A281	S228-V271 WeakPolarHBondContact O-CG1 3.33Å; S228-V271 PolarHBondContact OG-N 3.4Å; S228-V271 PolarHBondContact OG-O 2.89Å; S230-V271 WeakPolarHBondContact CB-O 3.44Å; V239-V271 HydrophobicContact CB-CG2 4.31Å; V239-V271 HydrophobicContact CG2-CG1 4.26Å; V239-V271 HydrophobicContact CG2-CG2 3.5Å; L247-V271 HydrophobicContact CD2-CB 4.36Å; L247-V271 HydrophobicContact CD2-CG2 3.87Å; V271-Y280 HydrophobicContact CG2-CD2 3.98Å; V271-A281 CarbonylContact C-O 3.54Å; V271-A281 WeakPolarHBondContact CA-O 3.17Å; V271-A281 WeakPolarHBondContact CG2-O 3.38Å
272	R	98.5	Very high	97.2	Very high	22 Å²	22	29.5 Å²	29.5	8%	0.083	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.7	174.9	-62.3	-67.6	175.4	-118.2	18.7	111.2	L20 F22 M189 E190 S228 A229 S230 Y280 A281	L20-R272 HydrophobicContact CD1-CB 3.43Å; L20-R272 VanDerWaalsContact CD1-CB 3.43Å; L20-R272 HydrophobicContact CD1-CG 3.37Å; L20-R272 HydrophobicContact CG-CG 4.41Å; F22-R272 HydrophobicContact CD2-CB 4.09Å; F22-R272 HydrophobicContact CE2-CB 4.2Å; F22-R272 WeakPolarHBondContact CE2-O 3.43Å; M189-R272 PolarHBondContact O-NH2 2.88Å; M189-R272 VanDerWaalsContact O-NH2 3.07Å; E190-R272 WeakPolarHBondContact OE1-CD 3.22Å; E190-R272 IonicContact OE1-CZ 3.3Å; E190-R272 IonicContact OE1-NE 3.23Å; E190-R272 IonicContact OE1-NH1 2.67Å; S228-R272 PolarHBondContact OG-NH1 3.05Å; S228-R272 VanDerWaalsContact OG-NH1 3.16Å; A229-R272 PolarHBondContact O-NH1 2.89Å; S230-R272 WeakPolarHBondContact OG-CA 3.43Å; R272-Y280 CarbonylContact O-C 3.59Å; R272-Y280 WeakPolarHBondContact O-CA 3.42Å; R272-Y280 VanDerWaalsContact O-CB 3.24Å; R272-Y280 WeakPolarHBondContact O-CB 3.38Å; R272-A281 PolarHBondContact N-O 3.46Å; R272-A281 PolarHBondContact O-N 2.79Å
273	F	98.4	Very high	97.4	Very high	13 Å²	13	21.4 Å²	21.4	6%	0.057	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	147.8	165.1	-85	-74.4	0	0	0	111.6	F22 S230 L231 H232 F237 V239 L279 Y280 T294	F22-F273 WeakPolarHBondContact CD2-O 3.41Å; S230-F273 WeakPolarHBondContact O-CE2 3.26Å; S230-F273 PolarHBondContact OG-N 2.82Å; L231-F273 VanDerWaalsContact C-CD2 3.44Å; L231-F273 WeakPolarHBondContact O-CD2 3.49Å; H232-F273 HydrophobicContact CB-CD2 4.2Å; H232-F273 HydrophobicContact CB-CE1 4.41Å; H232-F273 HydrophobicContact CB-CE2 3.86Å; H232-F273 HydrophobicContact CB-CZ 4Å; H232-F273 AromaticContact CD2-CD1 3.88Å; H232-F273 AromaticContact CD2-CE1 3.74Å; F237-F273 HydrophobicContact CD2-CE1 4.46Å; F237-F273 HydrophobicContact CD2-CE2 4.5Å; F237-F273 AromaticContact CD2-CZ 3.75Å; F237-F273 HydrophobicContact CD2-CZ 3.75Å; F237-F273 AromaticContact CE2-CE1 3.87Å; F237-F273 HydrophobicContact CE2-CE1 3.87Å; F237-F273 AromaticContact CE2-CZ 3.61Å; F237-F273 HydrophobicContact CE2-CZ 3.61Å; V239-F273 HydrophobicContact CB-CE2 4.23Å; V239-F273 HydrophobicContact CB-CZ 4.3Å; V239-F273 HydrophobicContact CG1-CE1 4.41Å; V239-F273 HydrophobicContact CG1-CE2 4.01Å; V239-F273 HydrophobicContact CG1-CZ 3.59Å; V239-F273 HydrophobicContact CG2-CD2 4.02Å; V239-F273 HydrophobicContact CG2-CE2 3.57Å; V239-F273 HydrophobicContact CG2-CZ 3.93Å; F273-L279 WeakPolarHBondContact CD1-O 3.42Å; F273-Y280 HydrophobicContact CD1-CD1 4.28Å; F273-Y280 AromaticContact CE1-CD1 3.72Å; F273-Y280 HydrophobicContact CE1-CD1 3.72Å; F273-Y280 HydrophobicContact CE1-CG 4.25Å; F273-Y280 HydrophobicContact CZ-CD1 4.31Å; F273-T294 HydrophobicContact CE1-CG2 4.44Å; F273-T294 WeakPolarHBondContact CE1-OG1 3.49Å
274	S	98	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.			trans	-65.2	155	163.7	55.5	0	0	0	0	110.2	D276 G277 E278 L279	S274-D276 VanDerWaalsContact CB-OD1 3.29Å; S274-D276 WeakPolarHBondContact CB-OD1 3.41Å; S274-D276 PolarHBondContact O-N 2.78Å; S274-D276 PolarHBondContact OG-OD1 2.9Å; S274-G277 PolarHBondContact O-N 3.01Å; S274-E278 PolarHBondContact OG-N 3.38Å; S274-L279 PolarHBondContact N-O 2.82Å; S274-L279 PolarHBondContact OG-N 3.39Å; S274-L279 VanDerWaalsContact OG-N 3.16Å; S274-L279 PolarHBondContact OG-O 3.36Å
275	P	97	Very high	97.9	Very high	45 Å²	45	24 Å²	24	29%	0.292	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.5	-178.3	27.9	-38.9	0	0	0	113.6	S23 I25 Y30	S23-P275 WeakPolarHBondContact O-CG 3.4Å; I25-P275 HydrophobicContact CG1-CB 3.97Å; I25-P275 HydrophobicContact CG1-CG 3.79Å; Y30-P275 HydrophobicContact CD1-CG 4.15Å; Y30-P275 HydrophobicContact CD2-CG 4.1Å; Y30-P275 HydrophobicContact CG-CG 3.74Å
276	D	96.4	Very high	97.9	Very high	52 Å²	52	18.2 Å²	18.2	28%	0.278	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-5	173.8	68.2	-6.5	0	0	0	113.8	I25 Y30 S274 E278 Y300	I25-D276 HydrophobicContact CD1-CB 4.15Å; Y30-D276 WeakPolarHBondContact CE1-OD2 3.5Å; S274-D276 VanDerWaalsContact CB-OD1 3.29Å; S274-D276 WeakPolarHBondContact CB-OD1 3.41Å; S274-D276 PolarHBondContact O-N 2.78Å; S274-D276 PolarHBondContact OG-OD1 2.9Å; D276-E278 HydrophobicContact CB-CG 4.37Å; D276-E278 PolarHBondContact O-N 2.81Å; D276-E278 PolarHBondContact OD1-N 2.89Å; D276-E278 VanDerWaalsContact OD1-N 3.1Å; D276-Y300 PolarHBondContact OD2-OH 3Å
277	G	96.7	Very high	97.9	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	10%	0.096	C	C	.	.	S	Bend	trans	73.5	-1.1	179.7	0	0	0	0	0	115.4	H232 S274 L279 T294	H232-G277 PolarHBondContact CD2-O 3.44Å; H232-G277 WeakPolarHBondContact NE2-CA 3.21Å; H232-G277 PolarHBondContact NE2-O 2.79Å; H232-G277 VanDerWaalsContact NE2-O 3.15Å; S274-G277 PolarHBondContact O-N 3.01Å; G277-L279 VanDerWaalsContact C-N 3.33Å; G277-L279 PolarHBondContact O-N 2.85Å; G277-T294 WeakPolarHBondContact O-CB 3.24Å; G277-T294 WeakPolarHBondContact O-CG2 3.48Å; G277-T294 PolarHBondContact O-OG1 2.82Å
278	E	96.9	Very high	97.8	Very high	49 Å²	49	18.7 Å²	18.7	23%	0.229	10%	0.098	C	C	.	.	S	Bend	trans	-74.9	-23.7	-173.5	-67.7	-68.7	167.2	0	0	113.5	S274 D276 T294 K298 Y300	S274-E278 PolarHBondContact OG-N 3.38Å; D276-E278 HydrophobicContact CB-CG 4.37Å; D276-E278 PolarHBondContact O-N 2.81Å; D276-E278 PolarHBondContact OD1-N 2.89Å; D276-E278 VanDerWaalsContact OD1-N 3.1Å; E278-T294 VanDerWaalsContact C-OG1 3.27Å; E278-T294 VanDerWaalsContact O-CB 3.3Å; E278-T294 WeakPolarHBondContact O-CB 3.26Å; E278-T294 PolarHBondContact O-N 3.39Å; E278-T294 PolarHBondContact O-OG1 2.87Å; E278-K298 IonicContact OE1-NZ 2.62Å; E278-K298 PolarHBondContact OE1-NZ 2.8Å; E278-K298 WeakPolarHBondContact OE2-CD 3.43Å; E278-K298 VanDerWaalsContact OE2-CE 3.24Å; E278-K298 WeakPolarHBondContact OE2-CE 3.34Å; E278-K298 IonicContact OE2-NZ 2.68Å; E278-K298 PolarHBondContact OE2-NZ 3.47Å; E278-Y300 HydrophobicContact CB-CD1 3.99Å; E278-Y300 HydrophobicContact CB-CD2 3.67Å; E278-Y300 HydrophobicContact CB-CE1 3.72Å; E278-Y300 HydrophobicContact CB-CE2 3.34Å; E278-Y300 HydrophobicContact CB-CG 3.98Å; E278-Y300 HydrophobicContact CG-CD2 3.82Å; E278-Y300 HydrophobicContact CG-CE2 3.43Å; E278-Y300 VanDerWaalsContact CG-CE2 3.43Å
279	L	97.7	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	173.3	174.4	68.8	73.9	0	0	0	112.7	F22 F273 S274 G277 L291 W292 T294 Y300 W303	F22-L279 HydrophobicContact CE1-CD1 4.15Å; F22-L279 HydrophobicContact CZ-CD1 3.61Å; F273-L279 WeakPolarHBondContact CD1-O 3.42Å; S274-L279 PolarHBondContact N-O 2.82Å; S274-L279 PolarHBondContact OG-N 3.39Å; S274-L279 VanDerWaalsContact OG-N 3.16Å; S274-L279 PolarHBondContact OG-O 3.36Å; G277-L279 VanDerWaalsContact C-N 3.33Å; G277-L279 PolarHBondContact O-N 2.85Å; L279-L291 HydrophobicContact CD1-CD2 4.28Å; L279-L291 HydrophobicContact CD2-CB 4.48Å; L279-L291 HydrophobicContact CD2-CD1 4.18Å; L279-W292 CarbonylContact C-O 3.47Å; L279-W292 WeakPolarHBondContact CA-O 3.34Å; L279-W292 WeakPolarHBondContact CB-O 3.4Å; L279-T294 PolarHBondContact N-OG1 2.87Å; L279-Y300 HydrophobicContact CD2-CD1 4.44Å; L279-Y300 HydrophobicContact CD2-CE1 3.89Å; L279-Y300 HydrophobicContact CG-CE1 4.3Å; L279-W303 HydrophobicContact CB-CH2 4.48Å; L279-W303 HydrophobicContact CB-CZ3 4.41Å; L279-W303 HydrophobicContact CD2-CH2 4.31Å; L279-W303 HydrophobicContact CD2-CZ3 3.93Å
280	Y	98.4	Very high	97.8	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.3	166.4	51.9	-78.8	0	0	0	110.5	Q5 V239 L247 Y261 V271 R272 F273 L291 W292 Q293	Q5-Y280 PolarHBondContact NE2-OH 2.59Å; V239-Y280 HydrophobicContact CB-CD2 4.21Å; V239-Y280 HydrophobicContact CB-CE2 4.28Å; V239-Y280 HydrophobicContact CG1-CD1 4.05Å; V239-Y280 HydrophobicContact CG1-CD2 4.05Å; V239-Y280 HydrophobicContact CG1-CE1 3.94Å; V239-Y280 HydrophobicContact CG1-CE2 3.89Å; V239-Y280 HydrophobicContact CG1-CG 4.13Å; V239-Y280 HydrophobicContact CG2-CD2 3.97Å; V239-Y280 HydrophobicContact CG2-CG 4.06Å; L247-Y280 HydrophobicContact CD1-CE2 4.11Å; L247-Y280 HydrophobicContact CD2-CE2 4.45Å; Y261-Y280 WeakPolarHBondContact CE2-OH 3.35Å; V271-Y280 HydrophobicContact CG2-CD2 3.98Å; R272-Y280 CarbonylContact O-C 3.59Å; R272-Y280 WeakPolarHBondContact O-CA 3.42Å; R272-Y280 VanDerWaalsContact O-CB 3.24Å; R272-Y280 WeakPolarHBondContact O-CB 3.38Å; F273-Y280 HydrophobicContact CD1-CD1 4.28Å; F273-Y280 AromaticContact CE1-CD1 3.72Å; F273-Y280 HydrophobicContact CE1-CD1 3.72Å; F273-Y280 HydrophobicContact CE1-CG 4.25Å; F273-Y280 HydrophobicContact CZ-CD1 4.31Å; Y280-L291 CarbonylContact O-C 3.5Å; Y280-L291 WeakPolarHBondContact O-CA 3.12Å; Y280-W292 HydrophobicContact CD1-CB 4.09Å; Y280-W292 HydrophobicContact CD2-CB 3.75Å; Y280-W292 AromaticContact CD2-CD1 3.8Å; Y280-W292 AromaticContact CD2-CG 3.97Å; Y280-W292 HydrophobicContact CD2-CG 3.97Å; Y280-W292 HydrophobicContact CE1-CB 3.67Å; Y280-W292 HydrophobicContact CE2-CB 3.32Å; Y280-W292 AromaticContact CE2-CD1 3.76Å; Y280-W292 HydrophobicContact CE2-CD2 4.32Å; Y280-W292 AromaticContact CE2-CG 3.53Å; Y280-W292 HydrophobicContact CE2-CG 3.53Å; Y280-W292 HydrophobicContact CG-CB 4.11Å; Y280-W292 AromaticContact CZ-CG 3.94Å; Y280-W292 PolarHBondContact N-O 2.91Å; Y280-W292 PolarHBondContact O-N 3.32Å; Y280-Q293 WeakPolarHBondContact CE1-O 3.3Å
281	A	98.6	Very high	97.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	144.7	176	0	0	0	0	0	110.5	L20 F22 L32 V271 R272 L289 R290 L291	L20-A281 HydrophobicContact CD1-CB 4.09Å; L20-A281 HydrophobicContact CD2-CB 3.99Å; F22-A281 HydrophobicContact CE2-CB 3.85Å; F22-A281 HydrophobicContact CZ-CB 3.67Å; L32-A281 HydrophobicContact CD1-CB 4.32Å; L32-A281 HydrophobicContact CD2-CB 3.84Å; V271-A281 CarbonylContact C-O 3.54Å; V271-A281 WeakPolarHBondContact CA-O 3.17Å; V271-A281 WeakPolarHBondContact CG2-O 3.38Å; R272-A281 PolarHBondContact N-O 3.46Å; R272-A281 PolarHBondContact O-N 2.79Å; A281-L289 HydrophobicContact CB-CD2 4.49Å; A281-R290 CarbonylContact C-O 3.6Å; A281-R290 VanDerWaalsContact CA-O 3.24Å; A281-R290 WeakPolarHBondContact CA-O 3.27Å; A281-L291 HydrophobicContact CB-CD2 3.64Å
282	S	98.7	Very high	97.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.1	171.6	63	0	0	0	0	112.1	H264 C270 L289 R290 W292	H264-S282 PolarHBondContact CD2-OG 3.17Å; H264-S282 PolarHBondContact NE2-OG 2.95Å; C270-S282 CarbonylContact O-C 3.48Å; C270-S282 VanDerWaalsContact O-CA 3.25Å; C270-S282 WeakPolarHBondContact O-CA 3.33Å; S282-L289 CarbonylContact O-C 3.55Å; S282-L289 VanDerWaalsContact O-CA 3.29Å; S282-L289 WeakPolarHBondContact O-CA 3.34Å; S282-R290 PolarHBondContact N-O 3.18Å; S282-R290 PolarHBondContact O-N 3.19Å; S282-W292 PolarHBondContact OG-NE1 2.99Å
283	G	98.4	Very high	97.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142	172.7	0	0	0	0	0	111.4	V17 H269 C270	V17-G283 CarbonylContact O-C 3.58Å; H269-G283 PolarHBondContact N-O 3.34Å; C270-G283 PolarHBondContact N-O 2.82Å; C270-G283 PolarHBondContact O-N 2.63Å
284	S	98.4	Very high	97.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	160.2	-171.9	175.6	0	0	0	0	113.9	P16 V17 H264 G266 P267 D286 G287 T288	P16-S284 WeakPolarHBondContact CA-O 3.42Å; V17-S284 PolarHBondContact N-O 2.95Å; H264-S284 VanDerWaalsContact CE1-CB 3.49Å; H264-S284 WeakPolarHBondContact CE1-CB 3.11Å; H264-S284 WeakPolarHBondContact ND1-CB 3.47Å; G266-S284 PolarHBondContact O-OG 2.72Å; G266-S284 VanDerWaalsContact O-OG 3.06Å; P267-S284 CarbonylContact O-C 3.59Å; P267-S284 VanDerWaalsContact O-CA 3.22Å; P267-S284 WeakPolarHBondContact O-CA 3.26Å; P267-S284 WeakPolarHBondContact O-CB 3.07Å; P267-S284 PolarHBondContact O-OG 3.03Å; S284-D286 WeakPolarHBondContact CB-OD1 3.11Å; S284-D286 PolarHBondContact O-N 3.34Å; S284-D286 PolarHBondContact OG-N 2.77Å; S284-D286 VanDerWaalsContact OG-N 3.16Å; S284-D286 PolarHBondContact OG-OD1 3.26Å; S284-G287 PolarHBondContact O-N 2.97Å; S284-G287 VanDerWaalsContact O-N 3.1Å; S284-T288 PolarHBondContact N-O 3.31Å
285	E	98.1	Very high	97.2	Very high	80 Å²	80	20.7 Å²	20.7	37%	0.374	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.9	166.2	-165.7	63.6	-157.5	0	0	112.7	P16 K37 P267 H269 G287	P16-E285 WeakPolarHBondContact CB-OE2 3.03Å; P16-E285 HydrophobicContact CG-CG 4.14Å; P16-E285 WeakPolarHBondContact CG-OE1 3.28Å; P16-E285 WeakPolarHBondContact CG-OE2 3.45Å; K37-E285 IonicContact NZ-OE1 3.39Å; K37-E285 IonicContact NZ-OE2 2.79Å; K37-E285 PolarHBondContact NZ-OE2 2.97Å; P267-E285 HydrophobicContact CB-CB 4.34Å; P267-E285 HydrophobicContact CG-CB 4.34Å; P267-E285 PolarHBondContact O-N 3.33Å; H269-E285 PolarHBondContact CD2-N 3.29Å; H269-E285 IonicContact CD2-OE2 3.61Å; H269-E285 IonicContact CE1-OE2 3.88Å; H269-E285 PolarHBondContact CE1-OE2 3.48Å; H269-E285 IonicContact NE2-OE2 2.97Å; H269-E285 PolarHBondContact NE2-OE2 3.04Å; E285-G287 PolarHBondContact O-N 2.62Å; E285-G287 VanDerWaalsContact O-N 3.12Å
286	D	96.9	Very high	96.9	Very high	47 Å²	47	20 Å²	20	25%	0.251	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-3	174.8	72.3	14.2	0	0	0	114	H264 F265 S284 T288	H264-D286 WeakPolarHBondContact CA-OD2 3.38Å; H264-D286 IonicContact CE1-OD1 3.62Å; H264-D286 IonicContact CG-OD2 2.95Å; H264-D286 IonicContact ND1-OD1 3.97Å; H264-D286 PolarHBondContact ND1-OD1 3.16Å; H264-D286 IonicContact ND1-OD2 3.04Å; H264-D286 PolarHBondContact ND1-OD2 2.68Å; F265-D286 HydrophobicContact CB-CB 4.2Å; F265-D286 PolarHBondContact N-OD2 3.25Å; S284-D286 WeakPolarHBondContact CB-OD1 3.11Å; S284-D286 PolarHBondContact O-N 3.34Å; S284-D286 PolarHBondContact OG-N 2.77Å; S284-D286 VanDerWaalsContact OG-N 3.16Å; S284-D286 PolarHBondContact OG-OD1 3.26Å; D286-T288 VanDerWaalsContact C-N 3.27Å; D286-T288 VanDerWaalsContact CG-OG1 3.31Å; D286-T288 PolarHBondContact O-N 3.23Å; D286-T288 WeakPolarHBondContact OD1-CA 2.79Å; D286-T288 VanDerWaalsContact OD1-CB 3.32Å; D286-T288 WeakPolarHBondContact OD1-CB 3.49Å; D286-T288 PolarHBondContact OD1-N 3.21Å; D286-T288 PolarHBondContact OD1-OG1 3.15Å; D286-T288 PolarHBondContact OD2-OG1 3.47Å
287	G	95.9	Very high	96.5	Very high	8 Å²	8	18.3 Å²	18.3	8%	0.082	10%	0.102	C	C	.	.	S	Bend	trans	77.6	9.6	178.3	0	0	0	0	0	114.4	H13 R15 S284 E285	H13-G287 WeakPolarHBondContact CB-O 3.41Å; R15-G287 WeakPolarHBondContact O-CA 3.36Å; S284-G287 PolarHBondContact O-N 2.97Å; S284-G287 VanDerWaalsContact O-N 3.1Å; E285-G287 PolarHBondContact O-N 2.62Å; E285-G287 VanDerWaalsContact O-N 3.12Å
288	T	97.1	Very high	96.2	Very high	29 Å²	29	22.2 Å²	22.2	18%	0.178	12%	0.119	C	C	.	.			trans	-102.7	147.3	175	71.2	0	0	0	0	111.5	T9 H264 S284 D286	T9-T288 HydrophobicContact CG2-CG2 4.18Å; H264-T288 PolarHBondContact CE1-OG1 2.82Å; H264-T288 VanDerWaalsContact CE1-OG1 3.28Å; H264-T288 PolarHBondContact ND1-OG1 2.62Å; S284-T288 PolarHBondContact N-O 3.31Å; D286-T288 VanDerWaalsContact C-N 3.27Å; D286-T288 VanDerWaalsContact CG-OG1 3.31Å; D286-T288 PolarHBondContact O-N 3.23Å; D286-T288 WeakPolarHBondContact OD1-CA 2.79Å; D286-T288 VanDerWaalsContact OD1-CB 3.32Å; D286-T288 WeakPolarHBondContact OD1-CB 3.49Å; D286-T288 PolarHBondContact OD1-N 3.21Å; D286-T288 PolarHBondContact OD1-OG1 3.15Å; D286-T288 PolarHBondContact OD2-OG1 3.47Å
289	L	97.6	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.6	159.9	-177.7	147.7	0	0	0	107.9	C10 L20 L32 A281 S282 L291	C10-L289 HydrophobicContact CB-CB 4.07Å; C10-L289 HydrophobicContact CB-CD2 3.54Å; C10-L289 HydrophobicContact CB-CG 4.42Å; C10-L289 WeakPolarHBondContact CB-O 3.18Å; C10-L289 PolarHBondContact N-O 2.82Å; C10-L289 VanDerWaalsContact SG-CD2 3.56Å; L20-L289 HydrophobicContact CD2-CD1 4.09Å; L32-L289 HydrophobicContact CD2-CD1 3.94Å; L32-L289 HydrophobicContact CD2-CD2 3.75Å; L32-L289 HydrophobicContact CD2-CG 4.48Å; L32-L289 HydrophobicContact CG-CD1 4.44Å; A281-L289 HydrophobicContact CB-CD2 4.49Å; S282-L289 CarbonylContact O-C 3.55Å; S282-L289 VanDerWaalsContact O-CA 3.29Å; S282-L289 WeakPolarHBondContact O-CA 3.34Å; L289-L291 HydrophobicContact CD2-CD2 3.95Å
290	R	98.3	Very high	95.7	Very high	24 Å²	24	26 Å²	26	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.8	178.4	-68.4	-177.2	-174.4	-147.4	9.8	111.9	P7 L8 G263 A281 S282 W292	P7-R290 HydrophobicContact CB-CB 4.13Å; P7-R290 HydrophobicContact CB-CG 4.44Å; L8-R290 CarbonylContact O-C 3.58Å; L8-R290 WeakPolarHBondContact O-CA 3.5Å; G263-R290 VanDerWaalsContact C-CZ 3.42Å; G263-R290 PolarHBondContact O-NH1 3.38Å; G263-R290 PolarHBondContact O-NH2 2.49Å; A281-R290 CarbonylContact C-O 3.6Å; A281-R290 VanDerWaalsContact CA-O 3.24Å; A281-R290 WeakPolarHBondContact CA-O 3.27Å; S282-R290 PolarHBondContact N-O 3.18Å; S282-R290 PolarHBondContact O-N 3.19Å; R290-W292 HydrophobicContact CB-CZ2 4.05Å; R290-W292 PolarHBondContact O-NE1 2.81Å
291	L	98.4	Very high	95.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.2	169.8	-50.4	-178.5	0	0	0	110	P7 L8 L32 L279 Y280 A281 L289 W303	P7-L291 CarbonylContact C-O 3.49Å; P7-L291 WeakPolarHBondContact CA-O 3.47Å; P7-L291 WeakPolarHBondContact CB-O 3.38Å; L8-L291 HydrophobicContact CB-CB 4.26Å; L8-L291 PolarHBondContact N-O 2.78Å; L8-L291 PolarHBondContact O-N 2.95Å; L32-L291 HydrophobicContact CD2-CD2 3.86Å; L279-L291 HydrophobicContact CD1-CD2 4.28Å; L279-L291 HydrophobicContact CD2-CB 4.48Å; L279-L291 HydrophobicContact CD2-CD1 4.18Å; Y280-L291 CarbonylContact O-C 3.5Å; Y280-L291 WeakPolarHBondContact O-CA 3.12Å; A281-L291 HydrophobicContact CB-CD2 3.64Å; L289-L291 HydrophobicContact CD2-CD2 3.95Å; L291-W303 HydrophobicContact CB-CH2 3.63Å; L291-W303 HydrophobicContact CB-CZ2 4.32Å; L291-W303 WeakPolarHBondContact O-CZ2 3.36Å
292	W	97.8	Very high	95	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137	-175.2	-52.1	83.7	0	0	0	109.4	Q5 P7 L247 L279 Y280 S282 R290	Q5-W292 HydrophobicContact CG-CE3 4.14Å; Q5-W292 VanDerWaalsContact NE2-CE3 3.26Å; P7-W292 HydrophobicContact CB-CD2 3.72Å; P7-W292 HydrophobicContact CB-CE3 3.6Å; P7-W292 HydrophobicContact CB-CH2 3.85Å; P7-W292 HydrophobicContact CB-CZ2 3.86Å; P7-W292 HydrophobicContact CB-CZ3 3.7Å; P7-W292 HydrophobicContact CG-CE3 4.05Å; P7-W292 HydrophobicContact CG-CH2 3.67Å; P7-W292 HydrophobicContact CG-CZ2 4.09Å; P7-W292 HydrophobicContact CG-CZ3 3.62Å; L247-W292 HydrophobicContact CD1-CD2 3.59Å; L247-W292 HydrophobicContact CD1-CE3 4.24Å; L247-W292 HydrophobicContact CD1-CG 4.05Å; L247-W292 HydrophobicContact CD1-CH2 3.86Å; L247-W292 HydrophobicContact CD1-CZ2 3.23Å; L247-W292 HydrophobicContact CD1-CZ3 4.34Å; L279-W292 CarbonylContact C-O 3.47Å; L279-W292 WeakPolarHBondContact CA-O 3.34Å; L279-W292 WeakPolarHBondContact CB-O 3.4Å; Y280-W292 HydrophobicContact CD1-CB 4.09Å; Y280-W292 HydrophobicContact CD2-CB 3.75Å; Y280-W292 AromaticContact CD2-CD1 3.8Å; Y280-W292 AromaticContact CD2-CG 3.97Å; Y280-W292 HydrophobicContact CD2-CG 3.97Å; Y280-W292 HydrophobicContact CE1-CB 3.67Å; Y280-W292 HydrophobicContact CE2-CB 3.32Å; Y280-W292 AromaticContact CE2-CD1 3.76Å; Y280-W292 HydrophobicContact CE2-CD2 4.32Å; Y280-W292 AromaticContact CE2-CG 3.53Å; Y280-W292 HydrophobicContact CE2-CG 3.53Å; Y280-W292 HydrophobicContact CG-CB 4.11Å; Y280-W292 AromaticContact CZ-CG 3.94Å; Y280-W292 PolarHBondContact N-O 2.91Å; Y280-W292 PolarHBondContact O-N 3.32Å; S282-W292 PolarHBondContact OG-NE1 2.99Å; R290-W292 HydrophobicContact CB-CZ2 4.05Å; R290-W292 PolarHBondContact O-NE1 2.81Å
293	Q	95.6	Very high	94.7	Very high	10 Å²	10	33 Å²	33	5%	0.047	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.1	177.1	-56.5	-165.4	-76.5	0	0	110.8	Q5 Y280 K298 W303	Q5-Q293 PolarHBondContact OE1-O 3.08Å; Y280-Q293 WeakPolarHBondContact CE1-O 3.3Å; Q293-K298 PolarHBondContact NE2-O 2.9Å; Q293-W303 VanDerWaalsContact CD-CD1 3.45Å; Q293-W303 HydrophobicContact CG-CB 4.34Å; Q293-W303 HydrophobicContact CG-CD2 3.29Å; Q293-W303 HydrophobicContact CG-CE3 3.75Å; Q293-W303 HydrophobicContact CG-CG 3.59Å; Q293-W303 HydrophobicContact CG-CH2 4.1Å; Q293-W303 HydrophobicContact CG-CZ2 3.69Å; Q293-W303 HydrophobicContact CG-CZ3 4.14Å
294	T	94.8	Very high	94	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.025	22%	0.221	C	C	.	.	S	Bend	trans	-71	-41.7	169.3	-66.3	0	0	0	0	111.7	F237 K249 F273 G277 E278 L279	F237-T294 HydrophobicContact CE1-CG2 4.36Å; F237-T294 HydrophobicContact CE2-CG2 3.4Å; F237-T294 HydrophobicContact CZ-CG2 3.22Å; K249-T294 PolarHBondContact NZ-O 2.71Å; F273-T294 HydrophobicContact CE1-CG2 4.44Å; F273-T294 WeakPolarHBondContact CE1-OG1 3.49Å; G277-T294 WeakPolarHBondContact O-CB 3.24Å; G277-T294 WeakPolarHBondContact O-CG2 3.48Å; G277-T294 PolarHBondContact O-OG1 2.82Å; E278-T294 VanDerWaalsContact C-OG1 3.27Å; E278-T294 VanDerWaalsContact O-CB 3.3Å; E278-T294 WeakPolarHBondContact O-CB 3.26Å; E278-T294 PolarHBondContact O-N 3.39Å; E278-T294 PolarHBondContact O-OG1 2.87Å; L279-T294 PolarHBondContact N-OG1 2.87Å
295	V	92.6	Very high	93	Very high	82 Å²	82	43.5 Å²	43.5	50%	0.497	24%	0.236	S	C	.	.	S	Bend	trans	-116.7	105.6	176.3	-176.4	0	0	0	0	109	G297 K298	V295-G297 PolarHBondContact O-N 2.81Å; V295-K298 HydrophobicContact CB-CB 4.18Å; V295-K298 HydrophobicContact CB-CD 4.43Å; V295-K298 HydrophobicContact CG1-CB 4.29Å; V295-K298 WeakPolarHBondContact O-CB 3.06Å; V295-K298 PolarHBondContact O-N 3.27Å; V295-K298 VanDerWaalsContact O-N 3.16Å
296	V	90.9	Very high	91.7	Very high	31 Å²	31	45.6 Å²	45.6	19%	0.188	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	124.6	-175.4	-176.4	0	0	0	0	110.9	M3 Q5 K298	M3-V296 HydrophobicContact CB-CG1 3.78Å; Q5-V296 HydrophobicContact CB-CG1 4.45Å; Q5-V296 HydrophobicContact CB-CG2 3.93Å; Q5-V296 HydrophobicContact CG-CG2 4.23Å; V296-K298 VanDerWaalsContact C-N 3.35Å
297	G	87.8	Confident	90.4	Very high	16 Å²	16	49.8 Å²	49.8	17%	0.165	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	13.4	178	0	0	0	0	0	114.9	V295 C305	V295-G297 PolarHBondContact O-N 2.81Å; G297-C305 WeakPolarHBondContact O-CB 3.38Å; G297-C305 PolarHBondContact O-SG 3.27Å
298	K	91.3	Very high	88.6	Confident	83 Å²	83	55.1 Å²	55.1	36%	0.361	31%	0.308	S	S	.	.			trans	-72.6	139.9	157.4	-176.2	174.4	176.8	178.2	0	109	E278 Q293 V295 V296 Y300	E278-K298 IonicContact OE1-NZ 2.62Å; E278-K298 PolarHBondContact OE1-NZ 2.8Å; E278-K298 WeakPolarHBondContact OE2-CD 3.43Å; E278-K298 VanDerWaalsContact OE2-CE 3.24Å; E278-K298 WeakPolarHBondContact OE2-CE 3.34Å; E278-K298 IonicContact OE2-NZ 2.68Å; E278-K298 PolarHBondContact OE2-NZ 3.47Å; Q293-K298 PolarHBondContact NE2-O 2.9Å; V295-K298 HydrophobicContact CB-CB 4.18Å; V295-K298 HydrophobicContact CB-CD 4.43Å; V295-K298 HydrophobicContact CG1-CB 4.29Å; V295-K298 WeakPolarHBondContact O-CB 3.06Å; V295-K298 PolarHBondContact O-N 3.27Å; V295-K298 VanDerWaalsContact O-N 3.16Å; V296-K298 VanDerWaalsContact C-N 3.35Å; K298-Y300 PolarHBondContact O-N 2.82Å
299	T	92.4	Very high	86.9	Confident	87 Å²	87	62.5 Å²	62.5	53%	0.534	34%	0.341	S	S	.	.			trans	-73	117	168.7	-64	0	0	0	0	108.6	W303 C305	T299-W303 WeakPolarHBondContact CA-O 3.44Å; T299-C305 WeakPolarHBondContact OG1-CB 3.39Å; T299-C305 PolarHBondContact OG1-N 3.23Å
300	Y	92.6	Very high	84.4	Confident	41 Å²	41	71.4 Å²	71.4	16%	0.161	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-161.1	139.6	-178.1	-174.7	-90.9	0	0	0	109.3	Y30 D47 D276 E278 L279 K298 L302 W303	Y30-Y300 VanDerWaalsContact CE1-OH 3.29Å; Y30-Y300 WeakPolarHBondContact CE1-OH 3.23Å; Y30-Y300 PolarHBondContact OH-OH 3.12Å; D47-Y300 HydrophobicContact CB-CE1 4.05Å; D276-Y300 PolarHBondContact OD2-OH 3Å; E278-Y300 HydrophobicContact CB-CD1 3.99Å; E278-Y300 HydrophobicContact CB-CD2 3.67Å; E278-Y300 HydrophobicContact CB-CE1 3.72Å; E278-Y300 HydrophobicContact CB-CE2 3.34Å; E278-Y300 HydrophobicContact CB-CG 3.98Å; E278-Y300 HydrophobicContact CG-CD2 3.82Å; E278-Y300 HydrophobicContact CG-CE2 3.43Å; E278-Y300 VanDerWaalsContact CG-CE2 3.43Å; L279-Y300 HydrophobicContact CD2-CD1 4.44Å; L279-Y300 HydrophobicContact CD2-CE1 3.89Å; L279-Y300 HydrophobicContact CG-CE1 4.3Å; K298-Y300 PolarHBondContact O-N 2.82Å; Y300-L302 PolarHBondContact O-N 3.03Å; Y300-W303 PolarHBondContact N-O 3.46Å; Y300-W303 WeakPolarHBondContact O-CB 3.32Å; Y300-W303 PolarHBondContact O-N 3.12Å
301	G	90.2	Very high	81.7	Confident	34 Å²	34	78 Å²	78	35%	0.351	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	-123	-176.8	0	0	0	0	0	112.4
302	L	90.9	Very high	79	Confident	90 Å²	90	83 Å²	83	47%	0.471	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.8	176.2	-60.3	-179.1	0	0	0	114.5	L8 T48 Y300	L8-L302 HydrophobicContact CD1-CB 3.83Å; L8-L302 HydrophobicContact CD1-CD1 4.31Å; L8-L302 HydrophobicContact CD1-CG 4.39Å; L8-L302 HydrophobicContact CD2-CB 4.32Å; T48-L302 HydrophobicContact CG2-CD2 3.93Å; T48-L302 HydrophobicContact CG2-CG 3.97Å; Y300-L302 PolarHBondContact O-N 3.03Å
303	W	92.2	Very high	76.6	Confident	24 Å²	24	86.4 Å²	86.4	9%	0.091	49%	0.49	C	S	.	.	B	Isolated β-bridge	trans	-80	124	176	-64.9	-88	0	0	0	110.3	T6 L8 L279 L291 Q293 T299 Y300	T6-W303 PolarHBondContact O-NE1 2.96Å; L8-W303 HydrophobicContact CB-CZ2 4.28Å; L8-W303 HydrophobicContact CD1-CD2 3.88Å; L8-W303 HydrophobicContact CD1-CE3 3.81Å; L8-W303 HydrophobicContact CD1-CH2 3.57Å; L8-W303 HydrophobicContact CD1-CZ2 3.62Å; L8-W303 HydrophobicContact CD1-CZ3 3.65Å; L8-W303 HydrophobicContact CG-CD2 4.22Å; L8-W303 HydrophobicContact CG-CH2 3.97Å; L8-W303 HydrophobicContact CG-CZ2 3.51Å; L8-W303 HydrophobicContact CG-CZ3 4.46Å; L279-W303 HydrophobicContact CB-CH2 4.48Å; L279-W303 HydrophobicContact CB-CZ3 4.41Å; L279-W303 HydrophobicContact CD2-CH2 4.31Å; L279-W303 HydrophobicContact CD2-CZ3 3.93Å; L291-W303 HydrophobicContact CB-CH2 3.63Å; L291-W303 HydrophobicContact CB-CZ2 4.32Å; L291-W303 WeakPolarHBondContact O-CZ2 3.36Å; Q293-W303 VanDerWaalsContact CD-CD1 3.45Å; Q293-W303 HydrophobicContact CG-CB 4.34Å; Q293-W303 HydrophobicContact CG-CD2 3.29Å; Q293-W303 HydrophobicContact CG-CE3 3.75Å; Q293-W303 HydrophobicContact CG-CG 3.59Å; Q293-W303 HydrophobicContact CG-CH2 4.1Å; Q293-W303 HydrophobicContact CG-CZ2 3.69Å; Q293-W303 HydrophobicContact CG-CZ3 4.14Å; T299-W303 WeakPolarHBondContact CA-O 3.44Å; Y300-W303 PolarHBondContact N-O 3.46Å; Y300-W303 WeakPolarHBondContact O-CB 3.32Å; Y300-W303 PolarHBondContact O-N 3.12Å
304	K	84.5	Confident	73.9	Confident	175 Å²	175	94.5 Å²	94.5	76%	0.761	53%	0.528	S	S	*	.			trans	-113.4	122.6	175.7	-65.3	-173.8	178.2	-177.7	0	110.1	V306	K304-V306 HydrophobicContact CB-CG2 4.37Å; K304-V306 PolarHBondContact O-N 3.29Å
305	C	77.5	Confident	71.3	Confident	47 Å²	47	102.5 Å²	102.5	32%	0.318	57%	0.569	S	S	.	*			trans	-85	107.4	166.5	-166.8	0	0	0	0	108.6	G297 T299	G297-C305 WeakPolarHBondContact O-CB 3.38Å; G297-C305 PolarHBondContact O-SG 3.27Å; T299-C305 WeakPolarHBondContact OG1-CB 3.39Å; T299-C305 PolarHBondContact OG1-N 3.23Å
306	V	70.6	Confident	68.9	Low	123 Å²	123	103 Å²	103	75%	0.745	58%	0.582	S	S	*	*			trans	-107.5	107.5	172.9	-173.5	0	0	0	0	106.7	K304	K304-V306 HydrophobicContact CB-CG2 4.37Å; K304-V306 PolarHBondContact O-N 3.29Å
307	L	69.7	Low	66.3	Low	136 Å²	136	110.2 Å²	110.2	71%	0.712	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-68.7	145.2	167.2	-64.3	176.4	0	0	0	107.9	E309	L307-E309 PolarHBondContact O-N 2.79Å; L307-E309 VanDerWaalsContact O-N 3.16Å
308	P	58.8	Low	63.8	Low	119 Å²	119	114.8 Å²	114.8	77%	0.773	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-53.5	126.8	170	-15.9	27.5	0	0	0	107.8	E310	P308-E310 PolarHBondContact O-N 2.92Å; P308-E310 VanDerWaalsContact O-N 3.15Å
309	E	60.5	Low	61.4	Low	184 Å²	184	120.9 Å²	120.9	86%	0.86	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-54.7	124.4	167.6	-68.2	-177.9	169.7	0	0	106.5	L307 D311	L307-E309 PolarHBondContact O-N 2.79Å; L307-E309 VanDerWaalsContact O-N 3.16Å; E309-D311 PolarHBondContact O-N 2.81Å
310	E	44.5	Very low	58.8	Low	187 Å²	187	122.5 Å²	122.5	87%	0.874	67%	0.668	S	S	*	*			trans	-57.6	115	165.7	-73.5	-172.4	169.2	0	0	105.5	P308 S312	P308-E310 PolarHBondContact O-N 2.92Å; P308-E310 VanDerWaalsContact O-N 3.15Å; E310-S312 PolarHBondContact O-N 3.42Å
311	D	42	Very low	56	Low	162 Å²	162	124 Å²	124	87%	0.866	70%	0.696	S	S	*	*			trans	-63	77.6	178	-155.3	11.9	0	0	0	107.6	E309 G313	E309-D311 PolarHBondContact O-N 2.81Å; D311-G313 PolarHBondContact O-N 2.94Å
312	S	42.5	Very low	53.3	Low	107 Å²	107	130.5 Å²	130.5	75%	0.748	72%	0.715	S	S	*	*			trans	-69.2	94.9	168.2	60.4	0	0	0	0	105	E310 E314	E310-S312 PolarHBondContact O-N 3.42Å; S312-E314 PolarHBondContact O-N 2.82Å
313	G	45.8	Very low	50.7	Low	72 Å²	72	131.2 Å²	131.2	74%	0.742	73%	0.725	S	S	*	*			trans	-60.9	75.4	-174.1	0	0	0	0	0	114	D311	D311-G313 PolarHBondContact O-N 2.94Å
314	E	39.2	Very low	48.2	Very low	180 Å²	180	139.4 Å²	139.4	84%	0.841	76%	0.764	S	S	*	*			trans	-121.9	103.7	154.4	-81.2	-168.1	151.5	0	0	108.3	S312 A316	S312-E314 PolarHBondContact O-N 2.82Å; E314-A316 PolarHBondContact O-N 3.14Å
315	L	41.3	Very low	45.9	Very low	172 Å²	172	136.7 Å²	136.7	90%	0.901	76%	0.763	S	S	*	*			trans	-59.2	85.6	159.8	-87.5	116.9	0	0	0	108.7	K317	L315-K317 VanDerWaalsContact C-N 3.3Å; L315-K317 PolarHBondContact O-N 2.96Å
316	A	41	Very low	44.1	Very low	92 Å²	92	139.9 Å²	139.9	76%	0.76	78%	0.781	S	S	*	*			trans	-67.8	95.3	160.4	0	0	0	0	0	107.1	E314	E314-A316 PolarHBondContact O-N 3.14Å
317	K	37.4	Very low	42.7	Very low	183 Å²	183	143.4 Å²	143.4	80%	0.796	79%	0.789	S	S	*	*			trans	-51.5	129	167.9	-71.6	-179.4	178	179.2	0	108.1	L315 K319	L315-K317 VanDerWaalsContact C-N 3.3Å; L315-K317 PolarHBondContact O-N 2.96Å; K317-K319 PolarHBondContact O-N 2.77Å
318	P	35.8	Very low	41.5	Very low	113 Å²	113	145.4 Å²	145.4	73%	0.734	80%	0.795	S	S	*	*			trans	-64.7	113.8	172	24.9	-29.6	0	0	0	108	I320	P318-I320 VanDerWaalsContact C-N 3.25Å; P318-I320 HydrophobicContact CB-CG1 4.49Å; P318-I320 PolarHBondContact O-N 2.99Å
319	K	39.5	Very low	40.7	Very low	210 Å²	210	147.5 Å²	147.5	91%	0.913	79%	0.794	S	S	*	*			trans	-71.2	89.7	162.4	-82.2	-175.1	177.2	179.3	0	107.1	K317 G321	K317-K319 PolarHBondContact O-N 2.77Å; K319-G321 VanDerWaalsContact C-N 3.31Å; K319-G321 PolarHBondContact O-N 3.16Å; K319-G321 VanDerWaalsContact O-N 3.12Å
320	I	39.2	Very low	39.8	Very low	121 Å²	121	146 Å²	146	62%	0.621	79%	0.791	S	S	*	*			trans	-74.2	95.6	161.1	-55.1	174.3	0	0	0	105.5	P318 F322	P318-I320 VanDerWaalsContact C-N 3.25Å; P318-I320 HydrophobicContact CB-CG1 4.49Å; P318-I320 PolarHBondContact O-N 2.99Å; I320-F322 HydrophobicContact CB-CE2 4.24Å; I320-F322 HydrophobicContact CG2-CD2 3.79Å; I320-F322 HydrophobicContact CG2-CE1 4.35Å; I320-F322 HydrophobicContact CG2-CE2 3.41Å; I320-F322 VanDerWaalsContact CG2-CE2 3.41Å; I320-F322 HydrophobicContact CG2-CG 4.41Å; I320-F322 HydrophobicContact CG2-CZ 3.73Å; I320-F322 PolarHBondContact O-N 2.71Å
321	G	32.3	Very low	39.6	Very low	72 Å²	72	146.1 Å²	146.1	74%	0.742	79%	0.792	S	S	*	*			trans	-75.6	102	165.4	0	0	0	0	0	108.1	K319	K319-G321 VanDerWaalsContact C-N 3.31Å; K319-G321 PolarHBondContact O-N 3.16Å; K319-G321 VanDerWaalsContact O-N 3.12Å
322	F	34.2	Very low	39.5	Very low	172 Å²	172	146.9 Å²	146.9	75%	0.754	79%	0.79	S	S	*	*			trans	-75.4	134	159.3	-69.2	-83.7	0	0	0	107.6	I320 E324	I320-F322 HydrophobicContact CB-CE2 4.24Å; I320-F322 HydrophobicContact CG2-CD2 3.79Å; I320-F322 HydrophobicContact CG2-CE1 4.35Å; I320-F322 HydrophobicContact CG2-CE2 3.41Å; I320-F322 VanDerWaalsContact CG2-CE2 3.41Å; I320-F322 HydrophobicContact CG2-CG 4.41Å; I320-F322 HydrophobicContact CG2-CZ 3.73Å; I320-F322 PolarHBondContact O-N 2.71Å; F322-E324 PolarHBondContact O-N 2.93Å
323	P	37.1	Very low	39.5	Very low	105 Å²	105	149 Å²	149	68%	0.682	79%	0.791	S	S	*	*			trans	-65.6	124.7	166.8	27.1	-29.6	0	0	0	108.2	T325	P323-T325 PolarHBondContact O-N 2.68Å
324	E	38.4	Very low	39.2	Very low	195 Å²	195	150.1 Å²	150.1	91%	0.911	79%	0.794	S	S	*	*			trans	-59.9	106.4	166.8	-76.4	178	158.4	0	0	107.7	F322	F322-E324 PolarHBondContact O-N 2.93Å
325	T	37.1	Very low	39.3	Very low	119 Å²	119	146.3 Å²	146.3	73%	0.73	79%	0.787	S	S	*	*			trans	-90.1	114.2	166	30.4	0	0	0	0	106.2	P323	P323-T325 PolarHBondContact O-N 2.68Å
326	T	39.7	Very low	39.4	Very low	114 Å²	114	146.2 Å²	146.2	70%	0.699	78%	0.782	S	S	*	*			trans	-66.5	146.2	173	43.4	0	0	0	0	109.6	E328	T326-E328 PolarHBondContact O-N 3.15Å
327	E	41.3	Very low	39.3	Very low	196 Å²	196	150.1 Å²	150.1	92%	0.916	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	25.9	-174.4	-77.1	-179.8	143.1	0	0	116
328	E	44.8	Very low	39.3	Very low	179 Å²	179	146.4 Å²	146.4	84%	0.836	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	1.1	-176.8	-81.9	-176.4	157.1	0	0	115.8	T326	T326-E328 PolarHBondContact O-N 3.15Å
329	E	41.6	Very low	39.3	Very low	162 Å²	162	148.8 Å²	148.8	76%	0.757	79%	0.793	S	S	*	*	S	Bend	trans	-112.4	13.3	-178.4	-78.1	-173.6	159.9	0	0	115.6
330	I	40.6	Very low	39.1	Very low	154 Å²	154	144.8 Å²	144.8	79%	0.79	79%	0.79	S	S	*	*	S	Bend	trans	-95.5	-9.3	-178.2	-66.2	179	0	0	0	113.9
331	E	39.8	Very low	38.9	Very low	189 Å²	189	146.5 Å²	146.5	88%	0.883	80%	0.799	S	S	*	*	S	Bend	trans	-94.8	-6.2	-177.4	-79.6	-167.7	157.7	0	0	116.5
332	E	41.8	Very low	39.2	Very low	178 Å²	178	154.1 Å²	154.1	83%	0.832	81%	0.807	S	S	*	*	S	Bend	trans	-97	-7.6	-175	-138.1	171.6	-166.3	0	0	115.1
333	I	41.5	Very low	39.4	Very low	151 Å²	151	151.4 Å²	151.4	77%	0.774	81%	0.807	S	S	*	*	S	Bend	trans	-98.6	-5.1	-175.2	-53.3	175.6	0	0	0	112.6
334	A	39.2	Very low	39.6	Very low	96 Å²	96	151.9 Å²	151.9	79%	0.793	81%	0.813	S	S	*	*	S	Bend	trans	-93.7	8.3	-174	0	0	0	0	0	115.8
335	S	41.9	Very low	39.8	Very low	100 Å²	100	147.1 Å²	147.1	70%	0.699	81%	0.807	S	S	*	*	S	Bend	trans	-121.8	-1.9	-174.9	70.9	0	0	0	0	117.4
336	E	42.9	Very low	40.2	Very low	170 Å²	170	147.4 Å²	147.4	79%	0.794	81%	0.811	S	S	*	*	S	Bend	trans	-129.2	81	178.4	-70.4	-171.8	165	0	0	111.1
337	N	38.8	Very low	40.1	Very low	173 Å²	173	149.7 Å²	149.7	93%	0.925	82%	0.819	S	S	*	*			trans	-173.7	64.1	150	-93.4	-27.9	0	0	0	110.2
338	S	38	Very low	40.1	Very low	106 Å²	106	147.1 Å²	147.1	74%	0.741	82%	0.816	S	S	*	*			trans	-104.3	97.4	153.5	64	0	0	0	0	107.6
339	D	36.5	Very low	40.1	Very low	162 Å²	162	148.2 Å²	148.2	87%	0.866	82%	0.818	S	S	*	*			trans	-161.2	116.7	143.4	-94.7	-25.1	0	0	0	110.6
340	C	34.4	Very low	40.4	Very low	126 Å²	126	148.9 Å²	148.9	85%	0.851	85%	0.851	S	S	*	*			trans	-78.9	128.8	-178.6	-60.3	0	0	0	0	111
341	I	35.4	Very low	40.4	Very low	158 Å²	158	148.6 Å²	148.6	81%	0.81	85%	0.854	S	S	*	*			trans	-139.8	100.6	159.4	-53.6	-179.2	0	0	0	108.9
342	Y	38	Very low	40.4	Very low	231 Å²	231	146.5 Å²	146.5	91%	0.906	85%	0.853	S	S	*	*			trans	-113.6	126.4	159.1	-83	-76.7	0	0	0	108.5
343	P	39.3	Very low	40.3	Very low	115 Å²	115	144.7 Å²	144.7	75%	0.747	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-85	137.8	162.3	5.4	12.2	0	0	0	110.8
344	S	41.4	Very low	40.3	Very low	116 Å²	116	144.4 Å²	144.4	81%	0.811	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-58.7	141.3	175.7	49	0	0	0	0	114.2
345	A	42.2	Very low	40.3	Very low	94 Å²	94	147.4 Å²	147.4	78%	0.777	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-67.2	148.8	170.4	0	0	0	0	0	112.5
346	P	45.8	Very low	40.2	Very low	125 Å²	125	150.5 Å²	150.5	81%	0.812	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-91	142.1	173.6	33.7	-29.7	0	0	0	112.9
347	D	37.5	Very low	40.1	Very low	163 Å²	163	149.1 Å²	149.1	87%	0.872	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-63.8	137	177.5	-79.4	-47.1	0	0	0	113.9
348	V	40.9	Very low	40.2	Very low	142 Å²	142	147.3 Å²	147.3	86%	0.861	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-82.3	125.3	167	177.4	0	0	0	0	108.7
349	K	43.8	Very low	40.3	Very low	201 Å²	201	150.8 Å²	150.8	87%	0.874	89%	0.887	S	S	*	*	P	Polyproline II helix	trans	-102.4	135.6	165	-79.1	-173.6	177	179.2	0	110.4
350	A	48.8	Very low	40.7	Very low	176 Å²	176	149.7 Å²	149.7	100%	1.455	89%	0.889	S	S	*	*			trans	-69.2	0	175.8	0	0	0	0	0	113.3

Retrieved 350 of 350 residues in 197.5 ms (Link to these results)

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