A0A077ZLP6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLP6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 309 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	34.4	Very low	196 Å²	196	102.2 Å²	102.2	97%	0.966	54%	0.54	S	S	*	.				0	-41.4	0	-111.5	173.3	78.8	0	0	113.3	G3 V4	M1-G3 PolarHBondContact O-N 2.89Å; M1-V4 PolarHBondContact O-N 2.69Å
2	M	28.7	Very low	35.2	Very low	169 Å²	169	106.4 Å²	106.4	83%	0.833	55%	0.551	S	S	*	*	H	α-helix	trans	-68.4	-32.5	-176.1	-141.4	160.5	138.4	0	0	114.6
3	G	30.8	Very low	36.1	Very low	59 Å²	59	104.8 Å²	104.8	61%	0.608	54%	0.542	S	S	*	.	H	α-helix	trans	-72.4	-23.9	175.3	0	0	0	0	0	115.2	M1	M1-G3 PolarHBondContact O-N 2.89Å
4	V	30.2	Very low	37	Very low	66 Å²	66	101.9 Å²	101.9	40%	0.4	53%	0.531	S	S	.	.	H	α-helix	trans	-76.7	-37.7	-177.6	-178.8	0	0	0	0	111.2	M1 Q8	M1-V4 PolarHBondContact O-N 2.69Å; V4-Q8 PolarHBondContact O-N 2.94Å
5	I	32.8	Very low	37.7	Very low	90 Å²	90	98.7 Å²	98.7	46%	0.462	51%	0.513	S	S	.	.	H	α-helix	trans	-72.3	-37	177.9	-62.9	172.7	0	0	0	110.7	C7 I9	I5-C7 PolarHBondContact O-N 3.18Å; I5-I9 HydrophobicContact CG2-CD1 3.56Å; I5-I9 HydrophobicContact CG2-CG1 4.27Å; I5-I9 WeakPolarHBondContact O-CB 3.41Å; I5-I9 WeakPolarHBondContact O-CG1 3.36Å; I5-I9 PolarHBondContact O-N 3.13Å; I5-I9 VanDerWaalsContact O-N 3.16Å
6	F	31	Very low	38.2	Very low	154 Å²	154	97.4 Å²	97.4	68%	0.675	51%	0.514	S	S	*	.	H	α-helix	trans	-62.5	-42	-179.7	-128.6	-93.4	0	0	0	111.9	M10	F6-M10 WeakPolarHBondContact O-CB 3.42Å; F6-M10 PolarHBondContact O-N 3.26Å
7	C	32.2	Very low	38.6	Very low	39 Å²	39	97.5 Å²	97.5	26%	0.264	52%	0.515	S	S	.	.	H	α-helix	trans	-71.9	-41.1	-178.8	-157.7	0	0	0	0	113.3	I5 M10 N11	I5-C7 PolarHBondContact O-N 3.18Å; C7-M10 PolarHBondContact O-N 3.11Å; C7-N11 PolarHBondContact O-N 3.46Å
8	Q	31.5	Very low	39.2	Very low	113 Å²	113	95 Å²	95	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-67.3	-41.4	178.7	-74.4	-171.8	-23.8	0	0	113.3	V4 K12	V4-Q8 PolarHBondContact O-N 2.94Å; Q8-K12 PolarHBondContact O-N 2.92Å
9	I	40.6	Very low	39.7	Very low	93 Å²	93	94 Å²	94	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-68.4	-45.1	175.8	-67.9	179.4	0	0	0	108.7	I5 N11 I13	I5-I9 HydrophobicContact CG2-CD1 3.56Å; I5-I9 HydrophobicContact CG2-CG1 4.27Å; I5-I9 WeakPolarHBondContact O-CB 3.41Å; I5-I9 WeakPolarHBondContact O-CG1 3.36Å; I5-I9 PolarHBondContact O-N 3.13Å; I5-I9 VanDerWaalsContact O-N 3.16Å; I9-N11 PolarHBondContact O-N 3.48Å; I9-I13 HydrophobicContact CG2-CD1 3.31Å; I9-I13 HydrophobicContact CG2-CG1 4.01Å; I9-I13 WeakPolarHBondContact O-CB 3.16Å; I9-I13 WeakPolarHBondContact O-CG1 3.22Å; I9-I13 PolarHBondContact O-N 3.39Å
10	M	38.7	Very low	40	Very low	99 Å²	99	91.2 Å²	91.2	49%	0.488	49%	0.486	S	S	.	.	H	α-helix	trans	-62.5	-43.4	-180	-163.4	173.9	77.6	0	0	112.3	F6 C7 V14	F6-M10 WeakPolarHBondContact O-CB 3.42Å; F6-M10 PolarHBondContact O-N 3.26Å; C7-M10 PolarHBondContact O-N 3.11Å; M10-V14 HydrophobicContact CG-CG2 3.92Å; M10-V14 WeakPolarHBondContact O-CA 3.37Å; M10-V14 WeakPolarHBondContact O-CB 3.33Å; M10-V14 WeakPolarHBondContact O-CG2 3.47Å; M10-V14 PolarHBondContact O-N 2.95Å
11	N	45.6	Very low	40.4	Very low	46 Å²	46	90.2 Å²	90.2	25%	0.246	48%	0.484	C	S	.	.	H	α-helix	trans	-68.4	-43.4	179.8	-81.9	1.6	0	0	0	113.7	C7 I9 V14 E15 I276	C7-N11 PolarHBondContact O-N 3.46Å; I9-N11 PolarHBondContact O-N 3.48Å; N11-V14 PolarHBondContact O-N 3.36Å; N11-E15 VanDerWaalsContact O-CB 3.27Å; N11-E15 WeakPolarHBondContact O-CB 3.19Å; N11-E15 VanDerWaalsContact O-CG 3.22Å; N11-E15 WeakPolarHBondContact O-CG 3.37Å; N11-E15 PolarHBondContact O-N 3.25Å; N11-I276 HydrophobicContact CB-CD1 4.13Å; N11-I276 VanDerWaalsContact ND2-CD1 3.31Å; N11-I276 WeakPolarHBondContact ND2-CD1 3.49Å
12	K	43.4	Very low	40.7	Very low	153 Å²	153	82.1 Å²	82.1	67%	0.665	45%	0.445	S	S	*	.	H	α-helix	trans	-70.5	-37.3	177.2	-75.9	-172.4	176.9	-177.7	0	112.7	Q8 S16	Q8-K12 PolarHBondContact O-N 2.92Å; K12-S16 WeakPolarHBondContact O-CB 3.44Å; K12-S16 PolarHBondContact O-N 3.3Å; K12-S16 PolarHBondContact O-OG 3.45Å
13	I	46.5	Very low	41.4	Very low	86 Å²	86	79.7 Å²	79.7	44%	0.441	43%	0.434	S	S	.	.	H	α-helix	trans	-68.3	-42.9	174.9	-70.6	-171.5	0	0	0	109.5	I9 S16 L17	I9-I13 HydrophobicContact CG2-CD1 3.31Å; I9-I13 HydrophobicContact CG2-CG1 4.01Å; I9-I13 WeakPolarHBondContact O-CB 3.16Å; I9-I13 WeakPolarHBondContact O-CG1 3.22Å; I9-I13 PolarHBondContact O-N 3.39Å; I13-S16 PolarHBondContact O-N 2.82Å; I13-L17 HydrophobicContact CB-CD1 4.44Å; I13-L17 HydrophobicContact CG2-CD1 3.21Å; I13-L17 WeakPolarHBondContact O-CA 3.42Å; I13-L17 WeakPolarHBondContact O-CB 3.45Å; I13-L17 WeakPolarHBondContact O-CD1 3.1Å; I13-L17 PolarHBondContact O-N 3.05Å
14	V	48.6	Very low	41.9	Very low	64 Å²	64	82.1 Å²	82.1	39%	0.388	43%	0.433	S	S	.	.	H	α-helix	trans	-66.4	-44.5	175.6	169.9	0	0	0	0	110.6	M10 N11 S16 L18	M10-V14 HydrophobicContact CG-CG2 3.92Å; M10-V14 WeakPolarHBondContact O-CA 3.37Å; M10-V14 WeakPolarHBondContact O-CB 3.33Å; M10-V14 WeakPolarHBondContact O-CG2 3.47Å; M10-V14 PolarHBondContact O-N 2.95Å; N11-V14 PolarHBondContact O-N 3.36Å; V14-S16 PolarHBondContact O-N 2.74Å; V14-L18 WeakPolarHBondContact O-CA 3.32Å; V14-L18 WeakPolarHBondContact O-CB 3.46Å; V14-L18 PolarHBondContact O-N 2.94Å
15	E	47.8	Very low	42.6	Very low	54 Å²	54	79.5 Å²	79.5	25%	0.252	42%	0.418	S	S	.	.	H	α-helix	trans	-60.9	-44.8	175	-77.9	173.4	172.1	0	0	111.6	N11 L19	N11-E15 VanDerWaalsContact O-CB 3.27Å; N11-E15 WeakPolarHBondContact O-CB 3.19Å; N11-E15 VanDerWaalsContact O-CG 3.22Å; N11-E15 WeakPolarHBondContact O-CG 3.37Å; N11-E15 PolarHBondContact O-N 3.25Å; E15-L19 VanDerWaalsContact O-CB 3.26Å; E15-L19 WeakPolarHBondContact O-CB 3.33Å; E15-L19 WeakPolarHBondContact O-CD1 3.24Å; E15-L19 WeakPolarHBondContact O-CG 3.14Å; E15-L19 PolarHBondContact O-N 3.45Å
16	S	45.8	Very low	43.3	Very low	77 Å²	77	78.2 Å²	78.2	54%	0.538	41%	0.409	S	S	.	.	H	α-helix	trans	-73.5	-39.9	-179.7	-58.2	0	0	0	0	112.5	K12 I13 V14 A20	K12-S16 WeakPolarHBondContact O-CB 3.44Å; K12-S16 PolarHBondContact O-N 3.3Å; K12-S16 PolarHBondContact O-OG 3.45Å; I13-S16 PolarHBondContact O-N 2.82Å; V14-S16 PolarHBondContact O-N 2.74Å; S16-A20 WeakPolarHBondContact O-CB 3.06Å; S16-A20 PolarHBondContact O-N 3.37Å
17	L	45.2	Very low	43.6	Very low	99 Å²	99	81.1 Å²	81.1	52%	0.518	42%	0.416	S	S	.	.	H	α-helix	trans	-71.1	-34	173.2	-96.8	122.9	0	0	0	110.8	I13 A20 T21	I13-L17 HydrophobicContact CB-CD1 4.44Å; I13-L17 HydrophobicContact CG2-CD1 3.21Å; I13-L17 WeakPolarHBondContact O-CA 3.42Å; I13-L17 WeakPolarHBondContact O-CB 3.45Å; I13-L17 WeakPolarHBondContact O-CD1 3.1Å; I13-L17 PolarHBondContact O-N 3.05Å; L17-A20 CarbonylContact O-C 3.5Å; L17-A20 PolarHBondContact O-N 2.9Å; L17-T21 WeakPolarHBondContact O-CA 3.4Å; L17-T21 WeakPolarHBondContact O-CB 3.31Å; L17-T21 PolarHBondContact O-N 3.49Å; L17-T21 PolarHBondContact O-OG1 3.45Å
18	L	49.9	Very low	44	Very low	53 Å²	53	82.9 Å²	82.9	28%	0.277	43%	0.426	S	S	.	.	H	α-helix	trans	-72.3	-46.7	176.7	-164.7	98	0	0	0	109	V14 A20 T21 I22 Y46	V14-L18 WeakPolarHBondContact O-CA 3.32Å; V14-L18 WeakPolarHBondContact O-CB 3.46Å; V14-L18 PolarHBondContact O-N 2.94Å; L18-A20 VanDerWaalsContact C-N 3.27Å; L18-A20 PolarHBondContact O-N 3.25Å; L18-T21 CarbonylContact O-C 3.21Å; L18-T21 PolarHBondContact O-N 3.43Å; L18-T21 VanDerWaalsContact O-N 3.15Å; L18-I22 HydrophobicContact CD2-CD1 3.83Å; L18-I22 HydrophobicContact CG-CD1 3.93Å; L18-I22 HydrophobicContact CG-CG1 4.36Å; L18-I22 WeakPolarHBondContact O-CB 3.25Å; L18-I22 WeakPolarHBondContact O-CD1 3.35Å; L18-I22 WeakPolarHBondContact O-CG1 3.45Å; L18-I22 PolarHBondContact O-N 3.46Å; L18-Y46 HydrophobicContact CD2-CD1 3.54Å; L18-Y46 HydrophobicContact CD2-CD2 3.93Å; L18-Y46 HydrophobicContact CD2-CE1 3.64Å; L18-Y46 HydrophobicContact CD2-CE2 4Å; L18-Y46 HydrophobicContact CD2-CG 3.7Å
19	L	48.7	Very low	44.5	Very low	76 Å²	76	83.7 Å²	83.7	40%	0.398	44%	0.444	S	S	.	.	H	α-helix	trans	-56.2	-43.4	169.5	-83.8	159.1	0	0	0	111.2	E15 L23 M87	E15-L19 VanDerWaalsContact O-CB 3.26Å; E15-L19 WeakPolarHBondContact O-CB 3.33Å; E15-L19 WeakPolarHBondContact O-CD1 3.24Å; E15-L19 WeakPolarHBondContact O-CG 3.14Å; E15-L19 PolarHBondContact O-N 3.45Å; L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 3.14Å; L19-L23 VanDerWaalsContact O-CD1 3.31Å; L19-L23 WeakPolarHBondContact O-CD1 3.41Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.38Å; L19-M87 HydrophobicContact CD2-CE 4.15Å; L19-M87 HydrophobicContact CD2-SD 4.25Å
20	A	45.9	Very low	44.4	Very low	37 Å²	37	83.7 Å²	83.7	31%	0.306	46%	0.458	S	S	.	.	H	α-helix	trans	-69.7	-35.1	176.4	0	0	0	0	0	113	S16 L17 L18 L23 L24	S16-A20 WeakPolarHBondContact O-CB 3.06Å; S16-A20 PolarHBondContact O-N 3.37Å; L17-A20 CarbonylContact O-C 3.5Å; L17-A20 PolarHBondContact O-N 2.9Å; L18-A20 VanDerWaalsContact C-N 3.27Å; L18-A20 PolarHBondContact O-N 3.25Å; A20-L23 CarbonylContact O-C 3.27Å; A20-L23 PolarHBondContact O-N 2.92Å; A20-L24 HydrophobicContact CB-CD1 4.43Å; A20-L24 WeakPolarHBondContact O-CA 3.27Å; A20-L24 WeakPolarHBondContact O-CB 3.35Å; A20-L24 WeakPolarHBondContact O-CD1 3.41Å; A20-L24 WeakPolarHBondContact O-CG 3.26Å; A20-L24 PolarHBondContact O-N 2.56Å
21	T	47	Very low	44.8	Very low	72 Å²	72	82.2 Å²	82.2	44%	0.442	45%	0.449	S	S	.	.	H	α-helix	trans	-77.4	-39.6	-179.1	-57.4	0	0	0	0	109.6	L17 L18 L24 A25	L17-T21 WeakPolarHBondContact O-CA 3.4Å; L17-T21 WeakPolarHBondContact O-CB 3.31Å; L17-T21 PolarHBondContact O-N 3.49Å; L17-T21 PolarHBondContact O-OG1 3.45Å; L18-T21 CarbonylContact O-C 3.21Å; L18-T21 PolarHBondContact O-N 3.43Å; L18-T21 VanDerWaalsContact O-N 3.15Å; T21-L24 PolarHBondContact O-N 2.96Å; T21-A25 WeakPolarHBondContact O-CA 3.1Å; T21-A25 WeakPolarHBondContact O-CB 3.38Å; T21-A25 PolarHBondContact O-N 3.01Å
22	I	44.9	Very low	45	Very low	26 Å²	26	84 Å²	84	13%	0.133	46%	0.461	C	S	.	.	H	α-helix	trans	-51	-58.6	161.4	-70.6	167.9	0	0	0	107.3	L18 L24 F26 I43	L18-I22 HydrophobicContact CD2-CD1 3.83Å; L18-I22 HydrophobicContact CG-CD1 3.93Å; L18-I22 HydrophobicContact CG-CG1 4.36Å; L18-I22 WeakPolarHBondContact O-CB 3.25Å; L18-I22 WeakPolarHBondContact O-CD1 3.35Å; L18-I22 WeakPolarHBondContact O-CG1 3.45Å; L18-I22 PolarHBondContact O-N 3.46Å; I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.12Å; I22-F26 HydrophobicContact CB-CE2 4.21Å; I22-F26 HydrophobicContact CG2-CD2 3.96Å; I22-F26 HydrophobicContact CG2-CE2 3.74Å; I22-F26 WeakPolarHBondContact O-CB 3.47Å; I22-F26 WeakPolarHBondContact O-CD2 3.49Å; I22-F26 WeakPolarHBondContact O-CG 3.47Å; I22-F26 PolarHBondContact O-N 3.19Å; I22-I43 HydrophobicContact CD1-CD1 4.46Å; I22-I43 HydrophobicContact CD1-CG1 4.16Å; I22-I43 HydrophobicContact CD1-CG2 4.46Å; I22-I43 HydrophobicContact CG1-CD1 3.77Å; I22-I43 HydrophobicContact CG1-CG1 3.89Å
23	L	43.1	Very low	45.3	Very low	117 Å²	117	83.4 Å²	83.4	61%	0.613	47%	0.465	S	S	*	.	H	α-helix	trans	-61.2	-30.5	-179.4	-70.8	165.8	0	0	0	114.8	L19 A20	L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 3.14Å; L19-L23 VanDerWaalsContact O-CD1 3.31Å; L19-L23 WeakPolarHBondContact O-CD1 3.41Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.38Å; A20-L23 CarbonylContact O-C 3.27Å; A20-L23 PolarHBondContact O-N 2.92Å
24	L	40.6	Very low	45.6	Very low	110 Å²	110	85 Å²	85	58%	0.576	47%	0.473	S	S	*	.	H	α-helix	trans	-90.4	-44.9	-175.8	-77.1	163.1	0	0	0	113	A20 T21 I22 F26 R27 T28	A20-L24 HydrophobicContact CB-CD1 4.43Å; A20-L24 WeakPolarHBondContact O-CA 3.27Å; A20-L24 WeakPolarHBondContact O-CB 3.35Å; A20-L24 WeakPolarHBondContact O-CD1 3.41Å; A20-L24 WeakPolarHBondContact O-CG 3.26Å; A20-L24 PolarHBondContact O-N 2.56Å; T21-L24 PolarHBondContact O-N 2.96Å; I22-L24 VanDerWaalsContact C-N 3.3Å; I22-L24 PolarHBondContact O-N 3.12Å; L24-F26 PolarHBondContact O-N 3.35Å; L24-R27 PolarHBondContact O-N 3.26Å; L24-T28 PolarHBondContact O-N 2.77Å
25	A	46	Very low	45.8	Very low	12 Å²	12	86.2 Å²	86.2	10%	0.099	47%	0.474	C	S	.	.	H	α-helix	trans	-55.2	-35.7	173.8	0	0	0	0	0	111	T21 T28 K31 E39	T21-A25 WeakPolarHBondContact O-CA 3.1Å; T21-A25 WeakPolarHBondContact O-CB 3.38Å; T21-A25 PolarHBondContact O-N 3.01Å; A25-T28 PolarHBondContact O-OG1 2.75Å; A25-T28 VanDerWaalsContact O-OG1 3.08Å; A25-K31 VanDerWaalsContact CB-NZ 3.28Å; A25-E39 WeakPolarHBondContact CB-OE2 3.27Å
26	F	46.8	Very low	45.9	Very low	62 Å²	62	86.3 Å²	86.3	27%	0.272	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.7	178.6	-60.7	-51.2	0	0	0	115	I22 L24 L36 I43	I22-F26 HydrophobicContact CB-CE2 4.21Å; I22-F26 HydrophobicContact CG2-CD2 3.96Å; I22-F26 HydrophobicContact CG2-CE2 3.74Å; I22-F26 WeakPolarHBondContact O-CB 3.47Å; I22-F26 WeakPolarHBondContact O-CD2 3.49Å; I22-F26 WeakPolarHBondContact O-CG 3.47Å; I22-F26 PolarHBondContact O-N 3.19Å; L24-F26 PolarHBondContact O-N 3.35Å; F26-L36 HydrophobicContact CD1-CD1 3.82Å; F26-L36 HydrophobicContact CE1-CD1 3.65Å; F26-I43 HydrophobicContact CE2-CD1 3.55Å; F26-I43 HydrophobicContact CZ-CD1 3.38Å
27	R	38	Very low	46.2	Very low	215 Å²	215	87.1 Å²	87.1	81%	0.811	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-25	169.4	-89.1	-172.6	174.9	-167.8	0.4	113.2	L24 S29	L24-R27 PolarHBondContact O-N 3.26Å; R27-S29 PolarHBondContact O-N 2.86Å
28	T	40.3	Very low	46.6	Very low	77 Å²	77	88 Å²	88	47%	0.472	47%	0.469	S	S	.	.			trans	-85.4	97.4	-179.7	49.1	0	0	0	0	110.2	L24 A25 A30	L24-T28 PolarHBondContact O-N 2.77Å; A25-T28 PolarHBondContact O-OG1 2.75Å; A25-T28 VanDerWaalsContact O-OG1 3.08Å; T28-A30 PolarHBondContact O-N 3.22Å
29	S	40.7	Very low	46.7	Very low	130 Å²	130	88 Å²	88	91%	0.909	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	10.7	173.8	45.3	0	0	0	0	115.2	R27	R27-S29 PolarHBondContact O-N 2.86Å
30	A	38.2	Very low	46.9	Very low	93 Å²	93	85.3 Å²	85.3	77%	0.769	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	10.9	-173.6	0	0	0	0	0	114.4	T28	T28-A30 PolarHBondContact O-N 3.22Å
31	K	47.5	Very low	47.3	Very low	68 Å²	68	85.9 Å²	85.9	30%	0.296	45%	0.45	S	S	.	.	S	Bend	trans	-84.6	144.2	172.5	-64.8	-170.4	-173.1	-174.2	0	110.6	A25 Q35 E39	A25-K31 VanDerWaalsContact CB-NZ 3.28Å; K31-Q35 HydrophobicContact CB-CB 4.32Å; K31-E39 IonicContact NZ-OE1 2.76Å; K31-E39 PolarHBondContact NZ-OE1 3.09Å; K31-E39 IonicContact NZ-OE2 2.58Å; K31-E39 PolarHBondContact NZ-OE2 3.34Å
32	T	49.7	Very low	47.7	Very low	82 Å²	82	87.5 Å²	87.5	50%	0.503	46%	0.456	S	S	.	.			trans	-67.8	151.8	170.5	58	0	0	0	0	109.9	I34 Q35 L36	T32-I34 PolarHBondContact O-N 3.3Å; T32-I34 VanDerWaalsContact O-N 3.1Å; T32-Q35 PolarHBondContact O-N 2.86Å; T32-Q35 VanDerWaalsContact O-N 3.07Å; T32-Q35 PolarHBondContact OG1-OE1 2.94Å; T32-L36 PolarHBondContact O-N 3.45Å; T32-L36 VanDerWaalsContact O-N 3.12Å
33	L	50	Low	48.2	Very low	142 Å²	142	87 Å²	87	74%	0.743	45%	0.453	S	S	*	.	H	α-helix	trans	-53.7	-31.2	178.7	-78.9	159.3	0	0	0	113	R37	L33-R37 PolarHBondContact O-N 3.5Å; L33-R37 VanDerWaalsContact O-N 3.1Å
34	I	52.6	Low	48.8	Very low	119 Å²	119	81.9 Å²	81.9	61%	0.61	43%	0.427	S	S	*	.	H	α-helix	trans	-67.8	-47.1	177.6	-62.4	171.2	0	0	0	111.3	T32 L36 R37 E38	T32-I34 PolarHBondContact O-N 3.3Å; T32-I34 VanDerWaalsContact O-N 3.1Å; I34-L36 VanDerWaalsContact C-N 3.29Å; I34-L36 PolarHBondContact O-N 2.99Å; I34-R37 WeakPolarHBondContact O-CB 3.27Å; I34-R37 PolarHBondContact O-N 3.47Å; I34-R37 VanDerWaalsContact O-N 3.11Å; I34-E38 PolarHBondContact O-N 2.76Å
35	Q	52.8	Low	49.5	Very low	90 Å²	90	78.8 Å²	78.8	42%	0.421	41%	0.411	S	S	.	.	H	α-helix	trans	-63.5	-37.4	176.9	-74.1	170.6	-29.9	0	0	111.8	K31 T32 R37 E38 E39	K31-Q35 HydrophobicContact CB-CB 4.32Å; T32-Q35 PolarHBondContact O-N 2.86Å; T32-Q35 VanDerWaalsContact O-N 3.07Å; T32-Q35 PolarHBondContact OG1-OE1 2.94Å; Q35-R37 VanDerWaalsContact C-N 3.29Å; Q35-R37 PolarHBondContact O-N 2.96Å; Q35-E38 PolarHBondContact O-N 2.95Å; Q35-E39 WeakPolarHBondContact O-CB 3.37Å; Q35-E39 WeakPolarHBondContact O-CG 3.38Å; Q35-E39 PolarHBondContact O-N 3.17Å; Q35-E39 VanDerWaalsContact O-N 3.11Å
36	L	50.7	Low	50	Low	55 Å²	55	80.4 Å²	80.4	29%	0.288	42%	0.415	S	S	.	.	H	α-helix	trans	-60.9	-41.1	174.2	-169.4	73.1	0	0	0	110.9	F26 T32 I34 M40	F26-L36 HydrophobicContact CD1-CD1 3.82Å; F26-L36 HydrophobicContact CE1-CD1 3.65Å; T32-L36 PolarHBondContact O-N 3.45Å; T32-L36 VanDerWaalsContact O-N 3.12Å; I34-L36 VanDerWaalsContact C-N 3.29Å; I34-L36 PolarHBondContact O-N 2.99Å; L36-M40 HydrophobicContact CD2-SD 4.29Å; L36-M40 HydrophobicContact CG-SD 3.85Å; L36-M40 VanDerWaalsContact O-CB 3.29Å; L36-M40 WeakPolarHBondContact O-CB 3.26Å; L36-M40 WeakPolarHBondContact O-CG 3.11Å; L36-M40 PolarHBondContact O-N 3.14Å; L36-M40 VanDerWaalsContact O-SD 3.37Å
37	R	50.8	Low	50.4	Low	95 Å²	95	77.9 Å²	77.9	36%	0.358	40%	0.404	S	S	.	.	H	α-helix	trans	-63.5	-48	176.3	176.2	-173.7	169.8	-176.9	-1.3	112.7	L33 I34 Q35 M40 I41 D102	L33-R37 PolarHBondContact O-N 3.5Å; L33-R37 VanDerWaalsContact O-N 3.1Å; I34-R37 WeakPolarHBondContact O-CB 3.27Å; I34-R37 PolarHBondContact O-N 3.47Å; I34-R37 VanDerWaalsContact O-N 3.11Å; Q35-R37 VanDerWaalsContact C-N 3.29Å; Q35-R37 PolarHBondContact O-N 2.96Å; R37-M40 WeakPolarHBondContact O-CB 3Å; R37-M40 PolarHBondContact O-N 2.93Å; R37-M40 VanDerWaalsContact O-N 3.15Å; R37-I41 HydrophobicContact CG-CD1 4.17Å; R37-I41 WeakPolarHBondContact O-CG1 3.43Å; R37-I41 PolarHBondContact O-N 3.31Å; R37-D102 IonicContact CZ-OD2 2.89Å; R37-D102 IonicContact NH2-OD2 3.23Å; R37-D102 PolarHBondContact NH2-OD2 2.84Å
38	E	54.9	Low	51.2	Low	116 Å²	116	70.6 Å²	70.6	54%	0.542	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-48.3	-179.4	-71.4	177.5	165	0	0	111	I34 Q35 M40 I41 D42	I34-E38 PolarHBondContact O-N 2.76Å; Q35-E38 PolarHBondContact O-N 2.95Å; E38-M40 PolarHBondContact O-N 2.85Å; E38-I41 PolarHBondContact O-N 3.28Å; E38-I41 VanDerWaalsContact O-N 3.1Å; E38-D42 PolarHBondContact O-N 2.7Å
39	E	51.6	Low	51.7	Low	55 Å²	55	72.2 Å²	72.2	26%	0.257	38%	0.379	S	S	.	.	H	α-helix	trans	-60.7	-32.8	175.4	-69.9	174.1	-172.6	0	0	112.1	A25 K31 Q35 I43	A25-E39 WeakPolarHBondContact CB-OE2 3.27Å; K31-E39 IonicContact NZ-OE1 2.76Å; K31-E39 PolarHBondContact NZ-OE1 3.09Å; K31-E39 IonicContact NZ-OE2 2.58Å; K31-E39 PolarHBondContact NZ-OE2 3.34Å; Q35-E39 WeakPolarHBondContact O-CB 3.37Å; Q35-E39 WeakPolarHBondContact O-CG 3.38Å; Q35-E39 PolarHBondContact O-N 3.17Å; Q35-E39 VanDerWaalsContact O-N 3.11Å; E39-I43 VanDerWaalsContact O-CD1 3.27Å; E39-I43 WeakPolarHBondContact O-CD1 3.15Å; E39-I43 WeakPolarHBondContact O-CG1 3.23Å; E39-I43 PolarHBondContact O-N 2.83Å; E39-I43 VanDerWaalsContact O-N 3.09Å
40	M	52.1	Low	52.4	Low	19 Å²	19	69.4 Å²	69.4	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-68.4	-41.2	174.9	-79.5	166	44	0	0	112.7	L36 R37 E38 I43 I44 W89 L91 F93	L36-M40 HydrophobicContact CD2-SD 4.29Å; L36-M40 HydrophobicContact CG-SD 3.85Å; L36-M40 VanDerWaalsContact O-CB 3.29Å; L36-M40 WeakPolarHBondContact O-CB 3.26Å; L36-M40 WeakPolarHBondContact O-CG 3.11Å; L36-M40 PolarHBondContact O-N 3.14Å; L36-M40 VanDerWaalsContact O-SD 3.37Å; R37-M40 WeakPolarHBondContact O-CB 3Å; R37-M40 PolarHBondContact O-N 2.93Å; R37-M40 VanDerWaalsContact O-N 3.15Å; E38-M40 PolarHBondContact O-N 2.85Å; M40-I43 PolarHBondContact O-N 3.28Å; M40-I44 VanDerWaalsContact O-CG1 3.24Å; M40-I44 WeakPolarHBondContact O-CG1 3.31Å; M40-I44 PolarHBondContact O-N 3.24Å; M40-W89 HydrophobicContact CG-CZ2 4.29Å; M40-L91 HydrophobicContact CE-CD1 3.26Å; M40-L91 HydrophobicContact CE-CD2 3.92Å; M40-L91 HydrophobicContact CE-CG 4.16Å; M40-L91 HydrophobicContact CG-CD1 4.2Å; M40-L91 HydrophobicContact SD-CD1 3.88Å; M40-L91 HydrophobicContact SD-CD2 3.65Å; M40-L91 HydrophobicContact SD-CG 4.42Å; M40-F93 HydrophobicContact CE-CE1 3.67Å; M40-F93 HydrophobicContact CE-CZ 4.02Å
41	I	55.5	Low	53.3	Low	49 Å²	49	65 Å²	65	25%	0.251	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-46.6	175.4	-68.4	169.2	0	0	0	109.4	R37 E38 I43 I44 D45 D102	R37-I41 HydrophobicContact CG-CD1 4.17Å; R37-I41 WeakPolarHBondContact O-CG1 3.43Å; R37-I41 PolarHBondContact O-N 3.31Å; E38-I41 PolarHBondContact O-N 3.28Å; E38-I41 VanDerWaalsContact O-N 3.1Å; I41-I43 VanDerWaalsContact C-N 3.27Å; I41-I43 PolarHBondContact O-N 2.86Å; I41-I44 PolarHBondContact O-N 2.81Å; I41-I44 VanDerWaalsContact O-N 3.09Å; I41-D45 WeakPolarHBondContact O-CB 3.39Å; I41-D45 PolarHBondContact O-N 2.92Å; I41-D102 HydrophobicContact CD1-CB 4.39Å
42	D	55.8	Low	53.6	Low	106 Å²	106	64 Å²	64	57%	0.567	31%	0.312	S	S	*	.	H	α-helix	trans	-58	-39.4	177.7	-69.7	-18.1	0	0	0	112.3	E38 Y46	E38-D42 PolarHBondContact O-N 2.7Å; D42-Y46 VanDerWaalsContact O-CB 3.3Å; D42-Y46 WeakPolarHBondContact O-CB 3.4Å; D42-Y46 PolarHBondContact O-N 3.29Å
43	I	54.9	Low	53.7	Low	14 Å²	14	62 Å²	62	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-69.5	-41.2	177	-70.6	161.6	0	0	0	111.4	I22 F26 E39 M40 I41 Y46 I47	I22-I43 HydrophobicContact CD1-CD1 4.46Å; I22-I43 HydrophobicContact CD1-CG1 4.16Å; I22-I43 HydrophobicContact CD1-CG2 4.46Å; I22-I43 HydrophobicContact CG1-CD1 3.77Å; I22-I43 HydrophobicContact CG1-CG1 3.89Å; F26-I43 HydrophobicContact CE2-CD1 3.55Å; F26-I43 HydrophobicContact CZ-CD1 3.38Å; E39-I43 VanDerWaalsContact O-CD1 3.27Å; E39-I43 WeakPolarHBondContact O-CD1 3.15Å; E39-I43 WeakPolarHBondContact O-CG1 3.23Å; E39-I43 PolarHBondContact O-N 2.83Å; E39-I43 VanDerWaalsContact O-N 3.09Å; M40-I43 PolarHBondContact O-N 3.28Å; I41-I43 VanDerWaalsContact C-N 3.27Å; I41-I43 PolarHBondContact O-N 2.86Å; I43-Y46 PolarHBondContact O-N 2.71Å; I43-I47 HydrophobicContact CG2-CD1 3.67Å; I43-I47 HydrophobicContact CG2-CG1 4.36Å; I43-I47 WeakPolarHBondContact O-CB 3.14Å; I43-I47 VanDerWaalsContact O-CG1 3.23Å; I43-I47 WeakPolarHBondContact O-CG1 3.44Å; I43-I47 PolarHBondContact O-N 2.79Å
44	I	56.4	Low	53.8	Low	10 Å²	10	56 Å²	56	5%	0.051	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-46.2	177.1	-69.8	166.4	0	0	0	109.7	M40 I41 Y46 I47 Y48 L60 L103	M40-I44 VanDerWaalsContact O-CG1 3.24Å; M40-I44 WeakPolarHBondContact O-CG1 3.31Å; M40-I44 PolarHBondContact O-N 3.24Å; I41-I44 PolarHBondContact O-N 2.81Å; I41-I44 VanDerWaalsContact O-N 3.09Å; I44-Y46 VanDerWaalsContact C-N 3.34Å; I44-Y46 PolarHBondContact O-N 2.84Å; I44-I47 PolarHBondContact O-N 2.79Å; I44-Y48 WeakPolarHBondContact O-CB 3.43Å; I44-Y48 PolarHBondContact O-N 3.2Å; I44-L60 HydrophobicContact CB-CD1 4.21Å; I44-L60 HydrophobicContact CG1-CD1 3.87Å; I44-L60 HydrophobicContact CG2-CD1 3.9Å; I44-L103 HydrophobicContact CG2-CD1 3.83Å
45	D	54.2	Low	54	Low	46 Å²	46	56.9 Å²	56.9	25%	0.246	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-43.4	176.5	-77.5	-3.2	0	0	0	111	I41 Y48 E49 L106	I41-D45 WeakPolarHBondContact O-CB 3.39Å; I41-D45 PolarHBondContact O-N 2.92Å; D45-Y48 WeakPolarHBondContact O-CB 3.47Å; D45-Y48 PolarHBondContact O-N 2.95Å; D45-E49 WeakPolarHBondContact O-CB 3.38Å; D45-E49 WeakPolarHBondContact O-CG 3.34Å; D45-E49 PolarHBondContact O-N 2.87Å; D45-L106 WeakPolarHBondContact OD1-CD1 3.34Å; D45-L106 WeakPolarHBondContact OD1-CD2 3.39Å
46	Y	55.8	Low	54.2	Low	45 Å²	45	55.4 Å²	55.4	18%	0.176	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-47.8	175	179.1	-89.1	0	0	0	112.7	L18 D42 I43 I44 Y48 E49 K50 G51 T54 I58	L18-Y46 HydrophobicContact CD2-CD1 3.54Å; L18-Y46 HydrophobicContact CD2-CD2 3.93Å; L18-Y46 HydrophobicContact CD2-CE1 3.64Å; L18-Y46 HydrophobicContact CD2-CE2 4Å; L18-Y46 HydrophobicContact CD2-CG 3.7Å; D42-Y46 VanDerWaalsContact O-CB 3.3Å; D42-Y46 WeakPolarHBondContact O-CB 3.4Å; D42-Y46 PolarHBondContact O-N 3.29Å; I43-Y46 PolarHBondContact O-N 2.71Å; I44-Y46 VanDerWaalsContact C-N 3.34Å; I44-Y46 PolarHBondContact O-N 2.84Å; Y46-Y48 PolarHBondContact O-N 3.41Å; Y46-E49 PolarHBondContact O-N 2.72Å; Y46-K50 HydrophobicContact CD2-CB 4.25Å; Y46-K50 HydrophobicContact CD2-CG 4.43Å; Y46-K50 HydrophobicContact CE1-CB 4.3Å; Y46-K50 HydrophobicContact CE2-CB 3.89Å; Y46-K50 HydrophobicContact CE2-CG 4.17Å; Y46-K50 WeakPolarHBondContact O-CA 3.22Å; Y46-K50 WeakPolarHBondContact O-CB 3.43Å; Y46-K50 PolarHBondContact O-N 2.67Å; Y46-G51 PolarHBondContact O-N 2.77Å; Y46-T54 HydrophobicContact CE1-CG2 4.09Å; Y46-I58 HydrophobicContact CD1-CD1 4.45Å; Y46-I58 HydrophobicContact CE1-CD1 4.18Å
47	I	55.5	Low	54.6	Low	9 Å²	9	53.4 Å²	53.4	5%	0.046	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-37.3	178.3	-68.9	165.6	0	0	0	109.9	I43 I44 G51 I58 L60 V255	I43-I47 HydrophobicContact CG2-CD1 3.67Å; I43-I47 HydrophobicContact CG2-CG1 4.36Å; I43-I47 WeakPolarHBondContact O-CB 3.14Å; I43-I47 VanDerWaalsContact O-CG1 3.23Å; I43-I47 WeakPolarHBondContact O-CG1 3.44Å; I43-I47 PolarHBondContact O-N 2.79Å; I44-I47 PolarHBondContact O-N 2.79Å; I47-G51 WeakPolarHBondContact O-CA 3.28Å; I47-G51 PolarHBondContact O-N 3.23Å; I47-I58 HydrophobicContact CG1-CD1 3.71Å; I47-I58 HydrophobicContact CG1-CG1 4.05Å; I47-I58 HydrophobicContact CG2-CG1 4.34Å; I47-L60 HydrophobicContact CB-CG 4.49Å; I47-L60 HydrophobicContact CD1-CD2 3.65Å; I47-L60 HydrophobicContact CD1-CG 4.16Å; I47-L60 HydrophobicContact CG2-CD1 4.46Å; I47-L60 HydrophobicContact CG2-CG 3.96Å; I47-V255 HydrophobicContact CD1-CG1 3.89Å; I47-V255 HydrophobicContact CD1-CG2 3.89Å
48	Y	54.3	Low	54.8	Low	62 Å²	62	49.6 Å²	49.6	24%	0.243	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-51.4	176.1	168.9	-106.8	0	0	0	112.4	I44 D45 Y46 L106 L110 L304	I44-Y48 WeakPolarHBondContact O-CB 3.43Å; I44-Y48 PolarHBondContact O-N 3.2Å; D45-Y48 WeakPolarHBondContact O-CB 3.47Å; D45-Y48 PolarHBondContact O-N 2.95Å; Y46-Y48 PolarHBondContact O-N 3.41Å; Y48-L106 HydrophobicContact CD1-CD1 4.39Å; Y48-L106 HydrophobicContact CD1-CD2 3.96Å; Y48-L106 HydrophobicContact CD1-CG 4.3Å; Y48-L106 HydrophobicContact CE1-CG 4.47Å; Y48-L106 HydrophobicContact CG-CD2 4.03Å; Y48-L110 HydrophobicContact CD2-CD1 4.39Å; Y48-L110 HydrophobicContact CE2-CD1 3.56Å; Y48-L110 HydrophobicContact CE2-CD2 3.66Å; Y48-L110 HydrophobicContact CE2-CG 3.72Å; Y48-L110 WeakPolarHBondContact OH-CD2 3.24Å; Y48-L110 WeakPolarHBondContact OH-CG 3.43Å; Y48-L304 HydrophobicContact CD2-CD1 3.79Å; Y48-L304 HydrophobicContact CG-CD1 4.38Å
49	E	52.6	Low	55.1	Low	111 Å²	111	44.2 Å²	44.2	52%	0.519	22%	0.222	S	C	.	.	H	α-helix	trans	-77	-35	-176.3	-69.7	-170.5	168.3	0	0	113.4	D45 Y46	D45-E49 WeakPolarHBondContact O-CB 3.38Å; D45-E49 WeakPolarHBondContact O-CG 3.34Å; D45-E49 PolarHBondContact O-N 2.87Å; Y46-E49 PolarHBondContact O-N 2.72Å
50	K	55.2	Low	55.3	Low	71 Å²	71	41.7 Å²	41.7	31%	0.309	21%	0.211	S	C	.	.	H	α-helix	trans	-127.9	-10.8	-168.5	-64	-60.9	-174.6	-169.5	0	114.5	Y46 I52 H53 T54 D273	Y46-K50 HydrophobicContact CD2-CB 4.25Å; Y46-K50 HydrophobicContact CD2-CG 4.43Å; Y46-K50 HydrophobicContact CE1-CB 4.3Å; Y46-K50 HydrophobicContact CE2-CB 3.89Å; Y46-K50 HydrophobicContact CE2-CG 4.17Å; Y46-K50 WeakPolarHBondContact O-CA 3.22Å; Y46-K50 WeakPolarHBondContact O-CB 3.43Å; Y46-K50 PolarHBondContact O-N 2.67Å; K50-I52 PolarHBondContact O-N 3.03Å; K50-I52 VanDerWaalsContact O-N 3.14Å; K50-H53 WeakPolarHBondContact O-CA 3.23Å; K50-H53 WeakPolarHBondContact O-CB 3.26Å; K50-H53 PolarHBondContact O-N 3.42Å; K50-T54 PolarHBondContact O-N 3.12Å; K50-D273 IonicContact NZ-OD2 2.69Å; K50-D273 PolarHBondContact NZ-OD2 3.22Å
51	G	56	Low	55.4	Low	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.2	-176	0	0	0	0	0	113.8	Y46 I47 H53 T54 P57 I58	Y46-G51 PolarHBondContact O-N 2.77Å; I47-G51 WeakPolarHBondContact O-CA 3.28Å; I47-G51 PolarHBondContact O-N 3.23Å; G51-H53 PolarHBondContact O-N 2.7Å; G51-T54 PolarHBondContact O-N 3.44Å; G51-T54 PolarHBondContact O-OG1 3.23Å; G51-P57 WeakPolarHBondContact O-CA 3.18Å; G51-I58 CarbonylContact C-O 3.45Å; G51-I58 VanDerWaalsContact C-O 3.3Å; G51-I58 WeakPolarHBondContact CA-O 3.23Å; G51-I58 PolarHBondContact O-N 3.03Å
52	I	53.7	Low	55.2	Low	48 Å²	48	39.3 Å²	39.3	25%	0.246	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.9	175	77.3	176.5	0	0	0	113.3	K50 F302	K50-I52 PolarHBondContact O-N 3.03Å; K50-I52 VanDerWaalsContact O-N 3.14Å; I52-F302 VanDerWaalsContact CA-CD2 3.41Å; I52-F302 HydrophobicContact CB-CD2 3.43Å; I52-F302 VanDerWaalsContact CB-CD2 3.43Å; I52-F302 HydrophobicContact CB-CE2 4Å; I52-F302 HydrophobicContact CB-CG 4.39Å; I52-F302 HydrophobicContact CG2-CB 3.74Å; I52-F302 HydrophobicContact CG2-CD2 3.41Å; I52-F302 VanDerWaalsContact CG2-CD2 3.41Å; I52-F302 HydrophobicContact CG2-CE2 4.44Å; I52-F302 HydrophobicContact CG2-CG 3.97Å
53	H	51.7	Low	54.8	Low	39 Å²	39	34.6 Å²	34.6	18%	0.181	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-15.2	-175.8	-63.8	-57.4	0	0	0	112.1	K50 G51 Y278	K50-H53 WeakPolarHBondContact O-CA 3.23Å; K50-H53 WeakPolarHBondContact O-CB 3.26Å; K50-H53 PolarHBondContact O-N 3.42Å; G51-H53 PolarHBondContact O-N 2.7Å; H53-Y278 HydrophobicContact CB-CD1 3.88Å; H53-Y278 HydrophobicContact CB-CE1 3.52Å; H53-Y278 AromaticContact ND1-CD1 3.9Å; H53-Y278 AromaticContact ND1-CD2 3.89Å; H53-Y278 AromaticContact ND1-CG 3.72Å; H53-Y278 WeakPolarHBondContact O-CD1 3.37Å; H53-Y278 WeakPolarHBondContact O-CE1 2.87Å
54	T	53.4	Low	54.4	Low	16 Å²	16	34.9 Å²	34.9	10%	0.098	18%	0.178	C	C	.	.	S	Bend	trans	-68.7	156.7	176.8	67.6	0	0	0	0	111.3	Y46 K50 G51 P56 P57 I58	Y46-T54 HydrophobicContact CE1-CG2 4.09Å; K50-T54 PolarHBondContact O-N 3.12Å; G51-T54 PolarHBondContact O-N 3.44Å; G51-T54 PolarHBondContact O-OG1 3.23Å; T54-P56 VanDerWaalsContact C-C 3.5Å; T54-P56 CarbonylContact C-O 3.01Å; T54-P56 VanDerWaalsContact C-O 3.31Å; T54-P56 WeakPolarHBondContact CB-O 3.4Å; T54-P56 CarbonylContact O-C 3.48Å; T54-P56 PolarHBondContact OG1-O 3.48Å; T54-P57 VanDerWaalsContact O-CA 3.24Å; T54-P57 WeakPolarHBondContact O-CA 3.29Å; T54-P57 VanDerWaalsContact OG1-CA 3.3Å; T54-P57 WeakPolarHBondContact OG1-CA 3.24Å; T54-I58 HydrophobicContact CG2-CD1 4.12Å; T54-I58 HydrophobicContact CG2-CG1 4.15Å; T54-I58 PolarHBondContact OG1-N 2.98Å; T54-I58 VanDerWaalsContact OG1-N 3.12Å
55	N	57.1	Low	53.8	Low	139 Å²	139	36.4 Å²	36.4	74%	0.743	19%	0.186	S	C	*	.	S	Bend	trans	-128.1	108.1	174	-174.3	18.1	0	0	0	111.1
56	P	55.6	Low	53.3	Low	59 Å²	59	38.3 Å²	38.3	38%	0.383	19%	0.192	S	C	.	.	S	Bend	cis	-67.4	155.2	-0.1	28.7	-35.7	0	0	0	112.4	T54 V257	T54-P56 VanDerWaalsContact C-C 3.5Å; T54-P56 CarbonylContact C-O 3.01Å; T54-P56 VanDerWaalsContact C-O 3.31Å; T54-P56 WeakPolarHBondContact CB-O 3.4Å; T54-P56 CarbonylContact O-C 3.48Å; T54-P56 PolarHBondContact OG1-O 3.48Å; P56-V257 HydrophobicContact CB-CG1 3.68Å; P56-V257 HydrophobicContact CG-CG1 3.24Å
57	P	59.2	Low	52.7	Low	12 Å²	12	42.8 Å²	42.8	8%	0.078	22%	0.224	C	C	.	.			trans	-61.9	144.6	175.6	-25.3	36.2	0	0	0	112.1	G51 T54 H258 F302	G51-P57 WeakPolarHBondContact O-CA 3.18Å; T54-P57 VanDerWaalsContact O-CA 3.24Å; T54-P57 WeakPolarHBondContact O-CA 3.29Å; T54-P57 VanDerWaalsContact OG1-CA 3.3Å; T54-P57 WeakPolarHBondContact OG1-CA 3.24Å; P57-H258 PolarHBondContact O-N 2.96Å; P57-F302 HydrophobicContact CB-CD1 4.07Å; P57-F302 HydrophobicContact CB-CD2 4.33Å; P57-F302 HydrophobicContact CB-CE1 3.29Å; P57-F302 HydrophobicContact CB-CE2 3.55Å; P57-F302 HydrophobicContact CB-CZ 2.98Å; P57-F302 HydrophobicContact CG-CE1 4.08Å; P57-F302 HydrophobicContact CG-CE2 4.01Å; P57-F302 HydrophobicContact CG-CZ 3.39Å
58	I	56.3	Low	52	Low	16 Å²	16	45.5 Å²	45.5	8%	0.082	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.7	177.9	64.7	-178.8	0	0	0	111.1	Y46 I47 G51 T54 C256 V257	Y46-I58 HydrophobicContact CD1-CD1 4.45Å; Y46-I58 HydrophobicContact CE1-CD1 4.18Å; I47-I58 HydrophobicContact CG1-CD1 3.71Å; I47-I58 HydrophobicContact CG1-CG1 4.05Å; I47-I58 HydrophobicContact CG2-CG1 4.34Å; G51-I58 CarbonylContact C-O 3.45Å; G51-I58 VanDerWaalsContact C-O 3.3Å; G51-I58 WeakPolarHBondContact CA-O 3.23Å; G51-I58 PolarHBondContact O-N 3.03Å; T54-I58 HydrophobicContact CG2-CD1 4.12Å; T54-I58 HydrophobicContact CG2-CG1 4.15Å; T54-I58 PolarHBondContact OG1-N 2.98Å; T54-I58 VanDerWaalsContact OG1-N 3.12Å; I58-C256 CarbonylContact C-O 3.59Å; I58-C256 VanDerWaalsContact CA-O 3.23Å; I58-C256 WeakPolarHBondContact CA-O 3.44Å; I58-V257 HydrophobicContact CG2-CG2 4.06Å
59	G	59.8	Low	51.4	Low	2 Å²	2	47.7 Å²	47.7	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	-179.4	179.5	0	0	0	0	0	111.5	C256	G59-C256 PolarHBondContact N-O 3.08Å; G59-C256 PolarHBondContact O-N 2.76Å
60	L	57.1	Low	50.9	Low	3 Å²	3	46.2 Å²	46.2	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.3	177.4	-64.6	171.4	0	0	0	110.3	I44 I47 V253 F254 V255 L304 L305	I44-L60 HydrophobicContact CB-CD1 4.21Å; I44-L60 HydrophobicContact CG1-CD1 3.87Å; I44-L60 HydrophobicContact CG2-CD1 3.9Å; I47-L60 HydrophobicContact CB-CG 4.49Å; I47-L60 HydrophobicContact CD1-CD2 3.65Å; I47-L60 HydrophobicContact CD1-CG 4.16Å; I47-L60 HydrophobicContact CG2-CD1 4.46Å; I47-L60 HydrophobicContact CG2-CG 3.96Å; L60-V253 HydrophobicContact CB-CG1 4.32Å; L60-V253 HydrophobicContact CD2-CG1 3.79Å; L60-V253 HydrophobicContact CG-CG1 4.45Å; L60-F254 CarbonylContact C-O 3.3Å; L60-F254 WeakPolarHBondContact CA-O 3.31Å; L60-V255 HydrophobicContact CD2-CG2 3.95Å; L60-L304 HydrophobicContact CB-CD2 4.16Å; L60-L304 HydrophobicContact CB-CG 4.21Å; L60-L304 HydrophobicContact CD1-CD2 3.56Å; L60-L304 HydrophobicContact CD1-CG 4.02Å; L60-L304 HydrophobicContact CG-CD2 4.45Å; L60-L305 PolarHBondContact O-N 3.17Å
61	A	54.1	Low	50.2	Low	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.2	164.4	0	0	0	0	0	109.4	T80 V253 F254 C256 L305	A61-T80 HydrophobicContact CB-CG2 4Å; A61-V253 CarbonylContact O-C 3.47Å; A61-V253 WeakPolarHBondContact O-CA 2.97Å; A61-F254 HydrophobicContact CB-CB 4.33Å; A61-F254 PolarHBondContact N-O 3.12Å; A61-F254 PolarHBondContact O-N 3.14Å; A61-C256 WeakPolarHBondContact CB-SG 3.32Å; A61-L305 VanDerWaalsContact CA-O 3.3Å; A61-L305 WeakPolarHBondContact CA-O 3.32Å
62	I	49.7	Very low	49.9	Very low	18 Å²	18	54.9 Å²	54.9	9%	0.092	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.4	176.1	-41	-168.7	0	0	0	108.4	S252 V253 L304 L305 S306 I307	I62-S252 CarbonylContact C-O 3.58Å; I62-S252 WeakPolarHBondContact CA-O 3.48Å; I62-V253 HydrophobicContact CB-CG2 4.25Å; I62-V253 HydrophobicContact CD1-CG2 4.21Å; I62-V253 HydrophobicContact CG1-CG2 3.93Å; I62-V253 HydrophobicContact CG2-CG2 3.85Å; I62-L304 HydrophobicContact CD1-CD2 4.24Å; I62-L305 PolarHBondContact N-O 2.97Å; I62-S306 CarbonylContact O-C 3.52Å; I62-I307 CarbonylContact O-C 3.57Å; I62-I307 WeakPolarHBondContact O-CA 3.3Å; I62-I307 PolarHBondContact O-N 3.09Å
63	T	48.9	Very low	49.5	Very low	7 Å²	7	55.9 Å²	55.9	4%	0.043	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	160.8	-179.7	176.6	0	0	0	0	111.6	Q76 Y251 S252 F254 I307 T309	T63-Q76 HydrophobicContact CG2-CG 4.1Å; T63-Y251 CarbonylContact O-C 3.6Å; T63-Y251 WeakPolarHBondContact O-CA 3.3Å; T63-S252 WeakPolarHBondContact CG2-O 3.26Å; T63-S252 PolarHBondContact N-O 3.03Å; T63-S252 PolarHBondContact O-N 2.95Å; T63-F254 HydrophobicContact CG2-CD2 4.09Å; T63-F254 HydrophobicContact CG2-CE2 3.56Å; T63-I307 WeakPolarHBondContact CA-O 3.42Å; T63-I307 WeakPolarHBondContact CB-O 3.36Å; T63-T309 PolarHBondContact OG1-OG1 2.84Å
64	A	46	Very low	49.3	Very low	19 Å²	19	59 Å²	59	16%	0.157	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	136	173.1	0	0	0	0	0	110.1	K66 N250 T309	A64-K66 PolarHBondContact O-N 2.85Å; A64-N250 CarbonylContact C-O 3.49Å; A64-T309 WeakPolarHBondContact CB-O 3.44Å
65	L	44.1	Very low	49.2	Very low	43 Å²	43	59.2 Å²	59.2	23%	0.225	33%	0.334	C	S	.	.			trans	-81.1	100	176.9	-168.7	146.7	0	0	0	108.5	P92 N250 S252	L65-P92 HydrophobicContact CD1-CB 3.55Å; L65-N250 HydrophobicContact CB-CB 3.7Å; L65-N250 WeakPolarHBondContact CB-O 3.07Å; L65-N250 HydrophobicContact CD2-CB 4.02Å; L65-N250 HydrophobicContact CG-CB 4.33Å; L65-N250 PolarHBondContact N-O 2.84Å; L65-S252 WeakPolarHBondContact CD1-OG 3.44Å
66	K	43.8	Very low	49	Very low	85 Å²	85	54 Å²	54	37%	0.37	31%	0.305	S	S	.	.			trans	-89.2	126.8	168.6	-71.5	177.5	176.5	168.8	0	109.7	A64 G68 I69 T309	A64-K66 PolarHBondContact O-N 2.85Å; K66-G68 PolarHBondContact O-N 3.04Å; K66-G68 VanDerWaalsContact O-N 3.09Å; K66-I69 HydrophobicContact CB-CB 4.23Å; K66-I69 HydrophobicContact CB-CD1 4.04Å; K66-I69 HydrophobicContact CB-CG1 4.12Å; K66-I69 HydrophobicContact CD-CD1 4.01Å; K66-I69 PolarHBondContact O-N 2.98Å; K66-T309 PolarHBondContact NZ-OXT 3.5Å
67	T	42.1	Very low	49	Very low	140 Å²	140	51.2 Å²	51.2	86%	0.859	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	117.4	171	38.1	0	0	0	0	110.1
68	G	42	Very low	48.8	Very low	65 Å²	65	57.9 Å²	57.9	67%	0.67	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	-3.1	175.7	0	0	0	0	0	117.4	K66	K66-G68 PolarHBondContact O-N 3.04Å; K66-G68 VanDerWaalsContact O-N 3.09Å
69	I	40.2	Very low	48.4	Very low	109 Å²	109	58.8 Å²	58.8	56%	0.559	32%	0.316	S	S	*	.			trans	-113.8	28.7	-177.1	-41.6	-177.9	0	0	0	112.4	K66 N71	K66-I69 HydrophobicContact CB-CB 4.23Å; K66-I69 HydrophobicContact CB-CD1 4.04Å; K66-I69 HydrophobicContact CB-CG1 4.12Å; K66-I69 HydrophobicContact CD-CD1 4.01Å; K66-I69 PolarHBondContact O-N 2.98Å; I69-N71 PolarHBondContact O-N 3.24Å
70	I	43.1	Very low	48	Very low	80 Å²	80	58.8 Å²	58.8	41%	0.41	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-76	2.3	171.8	-55.7	175.7	0	0	0	111.5	H72 Q73	I70-H72 PolarHBondContact O-N 3.27Å; I70-Q73 HydrophobicContact CG2-CG 4.06Å
71	N	41.2	Very low	47.5	Very low	136 Å²	136	59.7 Å²	59.7	73%	0.727	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-67.4	-5	-174.9	-69.6	-20.6	0	0	0	115	I69	I69-N71 PolarHBondContact O-N 3.24Å
72	H	47.9	Very low	47.1	Very low	116 Å²	116	59.8 Å²	59.8	54%	0.537	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-130.4	48.5	-178.3	-60.2	-41.5	0	0	0	113.7	I70 L74 A75	I70-H72 PolarHBondContact O-N 3.27Å; H72-L74 PolarHBondContact O-N 3.08Å; H72-L74 VanDerWaalsContact O-N 3.11Å; H72-A75 HydrophobicContact CB-CB 3.8Å; H72-A75 WeakPolarHBondContact O-CB 3.35Å; H72-A75 PolarHBondContact O-N 3.5Å
73	Q	45.3	Very low	47.3	Very low	70 Å²	70	60.7 Å²	60.7	33%	0.327	33%	0.329	S	S	.	.	H	α-helix	trans	-48.9	-37	170.1	-63	-176.6	-22.9	0	0	112.4	I70 A75 Q76 F254	I70-Q73 HydrophobicContact CG2-CG 4.06Å; Q73-A75 VanDerWaalsContact C-N 3.3Å; Q73-A75 PolarHBondContact O-N 2.94Å; Q73-Q76 PolarHBondContact O-N 3.22Å; Q73-F254 HydrophobicContact CB-CE1 3.81Å; Q73-F254 HydrophobicContact CB-CZ 4.46Å; Q73-F254 HydrophobicContact CG-CE1 3.78Å; Q73-F254 HydrophobicContact CG-CZ 4.22Å
74	L	48.2	Very low	47.6	Very low	103 Å²	103	60.4 Å²	60.4	54%	0.539	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-30.5	174.9	-67.3	174.9	0	0	0	114	H72 R78 P86	H72-L74 PolarHBondContact O-N 3.08Å; H72-L74 VanDerWaalsContact O-N 3.11Å; L74-R78 WeakPolarHBondContact O-CB 3.38Å; L74-R78 WeakPolarHBondContact O-CD 3.47Å; L74-R78 WeakPolarHBondContact O-CG 3.32Å; L74-R78 PolarHBondContact O-N 2.8Å; L74-P86 HydrophobicContact CD2-CG 3.74Å
75	A	51.2	Low	48.2	Very low	22 Å²	22	64 Å²	64	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-72	-32.9	-177.4	0	0	0	0	0	111.9	H72 Q73 R78 L79	H72-A75 HydrophobicContact CB-CB 3.8Å; H72-A75 WeakPolarHBondContact O-CB 3.35Å; H72-A75 PolarHBondContact O-N 3.5Å; Q73-A75 VanDerWaalsContact C-N 3.3Å; Q73-A75 PolarHBondContact O-N 2.94Å; A75-R78 PolarHBondContact O-N 2.87Å; A75-L79 WeakPolarHBondContact O-CB 3.19Å; A75-L79 WeakPolarHBondContact O-CG 3.22Å; A75-L79 PolarHBondContact O-N 2.97Å
76	Q	53.5	Low	48.8	Very low	29 Å²	29	63.3 Å²	63.3	14%	0.136	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-50.8	-171.4	-58.4	-58.7	-16.4	0	0	111.8	T63 Q73 L79 F254	T63-Q76 HydrophobicContact CG2-CG 4.1Å; Q73-Q76 PolarHBondContact O-N 3.22Å; Q76-L79 PolarHBondContact O-N 2.93Å; Q76-F254 HydrophobicContact CB-CD2 3.92Å; Q76-F254 HydrophobicContact CB-CE2 4.17Å; Q76-F254 HydrophobicContact CB-CG 4.31Å; Q76-F254 HydrophobicContact CG-CD2 4.08Å; Q76-F254 HydrophobicContact CG-CE2 3.79Å; Q76-F254 HydrophobicContact CG-CZ 4.23Å
77	C	55.9	Low	49.1	Very low	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-73.7	-30.2	173.1	-65.8	0	0	0	0	113.3	L79 T80 G84 P86 C256	C77-L79 PolarHBondContact O-N 3.15Å; C77-T80 WeakPolarHBondContact O-CB 3.16Å; C77-T80 PolarHBondContact O-N 2.95Å; C77-T80 VanDerWaalsContact O-N 3.16Å; C77-T80 PolarHBondContact O-OG1 2.88Å; C77-G84 CarbonylContact C-O 3.58Å; C77-G84 WeakPolarHBondContact CB-O 3.25Å; C77-G84 CarbonylContact O-C 3.39Å; C77-G84 VanDerWaalsContact O-CA 3.31Å; C77-G84 WeakPolarHBondContact O-CA 3.16Å; C77-G84 PolarHBondContact O-N 2.95Å; C77-G84 VanDerWaalsContact O-O 3.12Å; C77-P86 HydrophobicContact CB-CB 4.22Å; C77-P86 WeakPolarHBondContact SG-CA 3.42Å; C77-C256 WeakPolarHBondContact CA-SG 3.35Å; C77-C256 HydrophobicContact CB-CB 3.65Å; C77-C256 WeakPolarHBondContact CB-SG 3.29Å; C77-C256 WeakPolarHBondContact SG-CA 3.4Å; C77-C256 WeakPolarHBondContact SG-CB 3.19Å; C77-C256 CovalentContact SG-SG 2.04Å; C77-C256 PolarHBondContact SG-SG 3.48Å
78	R	54.5	Low	49.2	Very low	153 Å²	153	67.1 Å²	67.1	58%	0.577	34%	0.341	S	S	*	.	H	α-helix	trans	-66.3	-21.5	176.9	-78.5	-179.9	175.5	-153	-0.3	113.3	L74 A75 G84	L74-R78 WeakPolarHBondContact O-CB 3.38Å; L74-R78 WeakPolarHBondContact O-CD 3.47Å; L74-R78 WeakPolarHBondContact O-CG 3.32Å; L74-R78 PolarHBondContact O-N 2.8Å; A75-R78 PolarHBondContact O-N 2.87Å; R78-G84 WeakPolarHBondContact CA-O 3.47Å; R78-G84 PolarHBondContact N-O 2.85Å; R78-G84 VanDerWaalsContact N-O 3.15Å
79	L	48.2	Very low	49.2	Very low	35 Å²	35	65.8 Å²	65.8	18%	0.183	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-13.2	177.8	-70.9	172.9	0	0	0	113.3	A75 Q76 C77 I126 V134 I307	A75-L79 WeakPolarHBondContact O-CB 3.19Å; A75-L79 WeakPolarHBondContact O-CG 3.22Å; A75-L79 PolarHBondContact O-N 2.97Å; Q76-L79 PolarHBondContact O-N 2.93Å; C77-L79 PolarHBondContact O-N 3.15Å; L79-I126 HydrophobicContact CD1-CD1 4.1Å; L79-V134 HydrophobicContact CD2-CG1 4.03Å; L79-I307 HydrophobicContact CB-CD1 3.93Å
80	T	51.1	Low	49.3	Very low	1 Å²	1	66.2 Å²	66.2	1%	0.006	31%	0.311	C	S	.	.	S	Bend	trans	-66.5	166.3	173.1	66.9	0	0	0	0	111.2	A61 C77 P82 A83 G84 H258 L305 I307	A61-T80 HydrophobicContact CB-CG2 4Å; C77-T80 WeakPolarHBondContact O-CB 3.16Å; C77-T80 PolarHBondContact O-N 2.95Å; C77-T80 VanDerWaalsContact O-N 3.16Å; C77-T80 PolarHBondContact O-OG1 2.88Å; T80-P82 CarbonylContact C-O 3.31Å; T80-P82 CarbonylContact O-C 3.44Å; T80-P82 PolarHBondContact OG1-O 2.84Å; T80-A83 WeakPolarHBondContact O-CA 2.97Å; T80-A83 PolarHBondContact O-N 2.86Å; T80-G84 PolarHBondContact OG1-N 3.02Å; T80-H258 PolarHBondContact OG1-CE1 2.88Å; T80-H258 PolarHBondContact OG1-ND1 2.8Å; T80-L305 HydrophobicContact CG2-CB 4.14Å; T80-L305 HydrophobicContact CG2-CD1 4.09Å; T80-I307 HydrophobicContact CG2-CD1 3.99Å
81	Y	46	Very low	49.4	Very low	23 Å²	23	63 Å²	63	9%	0.09	30%	0.295	C	S	.	.	S	Bend	trans	-129.3	122.3	169.7	-168.3	-97.2	0	0	0	111.7	Y264 L288 R291 N292	Y81-Y264 HydrophobicContact CE2-CD1 4.21Å; Y81-Y264 HydrophobicContact CE2-CE1 4.06Å; Y81-Y264 AromaticContact CZ-CD1 3.83Å; Y81-Y264 AromaticContact CZ-CG 3.82Å; Y81-Y264 VanDerWaalsContact OH-CB 3.23Å; Y81-Y264 WeakPolarHBondContact OH-CB 3.39Å; Y81-Y264 WeakPolarHBondContact OH-CD1 3.04Å; Y81-L288 WeakPolarHBondContact OH-CD1 3.04Å; Y81-L288 WeakPolarHBondContact OH-CD2 3.36Å; Y81-R291 VanDerWaalsContact CB-CB 3.44Å; Y81-R291 HydrophobicContact CD1-CB 3.77Å; Y81-R291 WeakPolarHBondContact CD1-O 3.07Å; Y81-R291 HydrophobicContact CD2-CB 4.34Å; Y81-R291 HydrophobicContact CG-CB 3.58Å; Y81-R291 HydrophobicContact CG-CG 4.48Å; Y81-N292 PolarHBondContact O-ND2 3.26Å
82	P	46.2	Very low	49.5	Very low	1 Å²	1	60.3 Å²	60.3	1%	0.006	28%	0.284	C	S	.	.	S	Bend	cis	-59.9	160.9	-1.9	2.2	4.3	0	0	0	112.5	T80 G84 H258 V261 Y264 F302	T80-P82 CarbonylContact C-O 3.31Å; T80-P82 CarbonylContact O-C 3.44Å; T80-P82 PolarHBondContact OG1-O 2.84Å; P82-G84 PolarHBondContact O-N 2.94Å; P82-H258 HydrophobicContact CB-CB 4.31Å; P82-H258 HydrophobicContact CG-CB 3.99Å; P82-H258 PolarHBondContact O-ND1 2.03Å; P82-V261 HydrophobicContact CG-CG2 4.07Å; P82-Y264 HydrophobicContact CB-CD2 4.37Å; P82-Y264 HydrophobicContact CB-CE2 3.79Å; P82-F302 HydrophobicContact CG-CE1 3.87Å; P82-F302 HydrophobicContact CG-CZ 4.35Å
83	A	53.1	Low	49.3	Very low	37 Å²	37	55.1 Å²	55.1	31%	0.306	26%	0.26	S	S	.	.			trans	-57.7	127.6	177.2	0	0	0	0	0	108.7	T80 D259	T80-A83 WeakPolarHBondContact O-CA 2.97Å; T80-A83 PolarHBondContact O-N 2.86Å; A83-D259 PolarHBondContact O-N 2.84Å
84	G	56.1	Low	49.2	Very low	2 Å²	2	52.7 Å²	52.7	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	156.9	177.9	0	0	0	0	0	112.4	C77 R78 T80 P82 V257	C77-G84 CarbonylContact C-O 3.58Å; C77-G84 WeakPolarHBondContact CB-O 3.25Å; C77-G84 CarbonylContact O-C 3.39Å; C77-G84 VanDerWaalsContact O-CA 3.31Å; C77-G84 WeakPolarHBondContact O-CA 3.16Å; C77-G84 PolarHBondContact O-N 2.95Å; C77-G84 VanDerWaalsContact O-O 3.12Å; R78-G84 WeakPolarHBondContact CA-O 3.47Å; R78-G84 PolarHBondContact N-O 2.85Å; R78-G84 VanDerWaalsContact N-O 3.15Å; T80-G84 PolarHBondContact OG1-N 3.02Å; P82-G84 PolarHBondContact O-N 2.94Å; G84-V257 CarbonylContact C-O 3.55Å; G84-V257 WeakPolarHBondContact CA-O 3.46Å
85	L	58.3	Low	48.8	Very low	95 Å²	95	51.6 Å²	51.6	50%	0.497	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135	160.6	-64.4	176.3	0	0	0	108	M87 C256 V257	L85-M87 PolarHBondContact O-N 2.9Å; L85-C256 WeakPolarHBondContact O-CA 3.23Å; L85-V257 PolarHBondContact N-O 3.17Å; L85-V257 PolarHBondContact O-N 3.36Å
86	P	56.6	Low	48.6	Very low	27 Å²	27	57.4 Å²	57.4	18%	0.175	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	132.6	172.3	31.4	-34.4	0	0	0	108.4	L74 C77 V255	L74-P86 HydrophobicContact CD2-CG 3.74Å; C77-P86 HydrophobicContact CB-CB 4.22Å; C77-P86 WeakPolarHBondContact SG-CA 3.42Å; P86-V255 WeakPolarHBondContact CA-O 2.9Å
87	M	51	Low	48.1	Very low	45 Å²	45	61.7 Å²	61.7	22%	0.222	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-62.4	154.4	151.8	-62.2	-141.6	-78.1	0	0	107.5	L19 L85 W89 V255 V257	L19-M87 HydrophobicContact CD2-CE 4.15Å; L19-M87 HydrophobicContact CD2-SD 4.25Å; L85-M87 PolarHBondContact O-N 2.9Å; M87-W89 PolarHBondContact O-N 2.7Å; M87-V255 HydrophobicContact CB-CB 4.37Å; M87-V255 HydrophobicContact CE-CB 4.11Å; M87-V255 HydrophobicContact CE-CG1 3.52Å; M87-V255 HydrophobicContact CG-CG1 4.4Å; M87-V255 PolarHBondContact N-O 2.82Å; M87-V257 HydrophobicContact CG-CG2 3.5Å; M87-V257 HydrophobicContact SD-CG2 3.84Å
88	R	43.7	Very low	47.4	Very low	261 Å²	261	64.3 Å²	64.3	99%	0.985	30%	0.303	S	S	*	.	S	Bend	trans	-63.3	34.7	-171.9	-105.9	-174.9	-177.9	-178.7	0.9	115.5
89	W	41.9	Very low	46.7	Very low	36 Å²	36	60.2 Å²	60.2	14%	0.136	30%	0.301	C	S	.	.			trans	-127.5	139	-167.1	-173	73	0	0	0	110.9	M40 M87 L91 V253 F254 V255	M40-W89 HydrophobicContact CG-CZ2 4.29Å; M87-W89 PolarHBondContact O-N 2.7Å; W89-L91 HydrophobicContact CD2-CD2 4.49Å; W89-L91 HydrophobicContact CD2-CG 4.01Å; W89-L91 VanDerWaalsContact CE2-CG 3.46Å; W89-L91 HydrophobicContact CE3-CD1 4.43Å; W89-L91 HydrophobicContact CE3-CG 4.19Å; W89-L91 HydrophobicContact CH2-CD1 3.05Å; W89-L91 HydrophobicContact CH2-CD2 4.4Å; W89-L91 HydrophobicContact CH2-CG 3.61Å; W89-L91 HydrophobicContact CZ2-CD1 3.08Å; W89-L91 HydrophobicContact CZ2-CD2 3.61Å; W89-L91 HydrophobicContact CZ2-CG 3.3Å; W89-L91 HydrophobicContact CZ3-CD1 3.74Å; W89-L91 HydrophobicContact CZ3-CG 4Å; W89-V253 HydrophobicContact CZ3-CG1 4.08Å; W89-F254 VanDerWaalsContact O-CD1 3.24Å; W89-F254 WeakPolarHBondContact O-CD1 3.02Å; W89-V255 HydrophobicContact CD2-CG2 4.25Å; W89-V255 HydrophobicContact CE3-CB 4.27Å; W89-V255 HydrophobicContact CE3-CG2 3.43Å; W89-V255 VanDerWaalsContact CE3-CG2 3.43Å; W89-V255 HydrophobicContact CH2-CG2 4.08Å; W89-V255 HydrophobicContact CZ3-CB 4.47Å; W89-V255 HydrophobicContact CZ3-CG2 3.33Å
90	Y	41.9	Very low	46.4	Very low	119 Å²	119	61.8 Å²	61.8	47%	0.467	31%	0.307	S	S	.	.			trans	-143.8	139.3	173	71	-82.1	0	0	0	106.7
91	L	45.2	Very low	46	Very low	13 Å²	13	64.6 Å²	64.6	7%	0.068	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	110.9	175.3	-70	178.6	0	0	0	109.7	M40 W89 F93 S252 V253	M40-L91 HydrophobicContact CE-CD1 3.26Å; M40-L91 HydrophobicContact CE-CD2 3.92Å; M40-L91 HydrophobicContact CE-CG 4.16Å; M40-L91 HydrophobicContact CG-CD1 4.2Å; M40-L91 HydrophobicContact SD-CD1 3.88Å; M40-L91 HydrophobicContact SD-CD2 3.65Å; M40-L91 HydrophobicContact SD-CG 4.42Å; W89-L91 HydrophobicContact CD2-CD2 4.49Å; W89-L91 HydrophobicContact CD2-CG 4.01Å; W89-L91 VanDerWaalsContact CE2-CG 3.46Å; W89-L91 HydrophobicContact CE3-CD1 4.43Å; W89-L91 HydrophobicContact CE3-CG 4.19Å; W89-L91 HydrophobicContact CH2-CD1 3.05Å; W89-L91 HydrophobicContact CH2-CD2 4.4Å; W89-L91 HydrophobicContact CH2-CG 3.61Å; W89-L91 HydrophobicContact CZ2-CD1 3.08Å; W89-L91 HydrophobicContact CZ2-CD2 3.61Å; W89-L91 HydrophobicContact CZ2-CG 3.3Å; W89-L91 HydrophobicContact CZ3-CD1 3.74Å; W89-L91 HydrophobicContact CZ3-CG 4Å; L91-F93 HydrophobicContact CB-CD2 4.22Å; L91-F93 HydrophobicContact CB-CE1 4.21Å; L91-F93 HydrophobicContact CB-CE2 3.36Å; L91-F93 HydrophobicContact CB-CZ 3.45Å; L91-F93 VanDerWaalsContact CB-CZ 3.45Å; L91-F93 HydrophobicContact CD1-CE1 4.17Å; L91-F93 HydrophobicContact CD1-CE2 4.05Å; L91-F93 HydrophobicContact CD1-CZ 3.39Å; L91-F93 HydrophobicContact CG-CE2 4.42Å; L91-F93 HydrophobicContact CG-CZ 4.13Å; L91-F93 WeakPolarHBondContact O-CD2 3.21Å; L91-F93 WeakPolarHBondContact O-CE2 3.32Å; L91-S252 WeakPolarHBondContact O-CA 3.24Å; L91-V253 HydrophobicContact CD1-CB 4.46Å; L91-V253 PolarHBondContact N-O 2.86Å; L91-V253 VanDerWaalsContact N-O 3.13Å; L91-V253 PolarHBondContact O-N 2.83Å
92	P	42.9	Very low	45.9	Very low	78 Å²	78	66.8 Å²	66.8	51%	0.506	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.8	169.1	30.5	-31.5	0	0	0	109.7	L65 Y251	L65-P92 HydrophobicContact CD1-CB 3.55Å; P92-Y251 CarbonylContact C-O 3.35Å
93	F	43.7	Very low	45.6	Very low	8 Å²	8	68.5 Å²	68.5	4%	0.035	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.3	176.5	-62.4	-76.8	0	0	0	111.1	M40 L91 F100 N250 Y251 V253	M40-F93 HydrophobicContact CE-CE1 3.67Å; M40-F93 HydrophobicContact CE-CZ 4.02Å; L91-F93 HydrophobicContact CB-CD2 4.22Å; L91-F93 HydrophobicContact CB-CE1 4.21Å; L91-F93 HydrophobicContact CB-CE2 3.36Å; L91-F93 HydrophobicContact CB-CZ 3.45Å; L91-F93 VanDerWaalsContact CB-CZ 3.45Å; L91-F93 HydrophobicContact CD1-CE1 4.17Å; L91-F93 HydrophobicContact CD1-CE2 4.05Å; L91-F93 HydrophobicContact CD1-CZ 3.39Å; L91-F93 HydrophobicContact CG-CE2 4.42Å; L91-F93 HydrophobicContact CG-CZ 4.13Å; L91-F93 WeakPolarHBondContact O-CD2 3.21Å; L91-F93 WeakPolarHBondContact O-CE2 3.32Å; F93-F100 HydrophobicContact CB-CE2 4.09Å; F93-F100 HydrophobicContact CD1-CE1 4.4Å; F93-F100 AromaticContact CD1-CE2 3.41Å; F93-F100 HydrophobicContact CD1-CE2 3.41Å; F93-F100 VanDerWaalsContact CD1-CE2 3.41Å; F93-F100 AromaticContact CD1-CZ 3.2Å; F93-F100 HydrophobicContact CD1-CZ 3.2Å; F93-F100 HydrophobicContact CD2-CZ 4.37Å; F93-F100 HydrophobicContact CE1-CE1 4.05Å; F93-F100 AromaticContact CE1-CE2 3.9Å; F93-F100 HydrophobicContact CE1-CE2 3.9Å; F93-F100 AromaticContact CE1-CZ 3.16Å; F93-F100 HydrophobicContact CE1-CZ 3.16Å; F93-F100 HydrophobicContact CE2-CZ 4.34Å; F93-F100 AromaticContact CG-CE2 3.78Å; F93-F100 HydrophobicContact CG-CE2 3.78Å; F93-F100 AromaticContact CG-CZ 3.8Å; F93-F100 HydrophobicContact CG-CZ 3.8Å; F93-F100 HydrophobicContact CZ-CE1 4.49Å; F93-F100 AromaticContact CZ-CZ 3.71Å; F93-F100 HydrophobicContact CZ-CZ 3.71Å; F93-N250 CarbonylContact O-C 3.58Å; F93-N250 WeakPolarHBondContact O-CA 3.11Å; F93-N250 WeakPolarHBondContact O-CB 3.41Å; F93-N250 PolarHBondContact O-OD1 3.43Å; F93-Y251 PolarHBondContact N-O 2.96Å; F93-Y251 PolarHBondContact O-N 3.04Å; F93-V253 HydrophobicContact CD2-CG2 3.95Å; F93-V253 HydrophobicContact CE2-CB 3.46Å; F93-V253 VanDerWaalsContact CE2-CB 3.46Å; F93-V253 HydrophobicContact CE2-CG2 3.12Å; F93-V253 HydrophobicContact CZ-CB 3.99Å; F93-V253 HydrophobicContact CZ-CG2 3.68Å
94	S	44.6	Very low	45	Very low	19 Å²	19	71 Å²	71	13%	0.133	35%	0.352	C	S	.	.			trans	-128.8	135.2	166.1	170.5	0	0	0	0	108.1	E96 D97 H98 N250	S94-E96 PolarHBondContact O-N 2.73Å; S94-E96 PolarHBondContact OG-N 3.06Å; S94-D97 WeakPolarHBondContact CB-OD2 3.46Å; S94-D97 PolarHBondContact O-N 3.3Å; S94-H98 PolarHBondContact O-N 3.23Å; S94-H98 VanDerWaalsContact O-N 3.08Å; S94-N250 VanDerWaalsContact CA-OD1 3.26Å; S94-N250 WeakPolarHBondContact CA-OD1 3.49Å; S94-N250 WeakPolarHBondContact CB-OD1 3.45Å
95	E	40.2	Very low	44.4	Very low	80 Å²	80	73.5 Å²	73.5	37%	0.374	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.7	173.5	-70.8	-167.4	154.7	0	0	112.2	Y251	E95-Y251 HydrophobicContact CG-CE2 4.31Å
96	E	45.9	Very low	43.7	Very low	143 Å²	143	69.5 Å²	69.5	67%	0.668	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-33.5	178.6	-60.6	-172.6	159.3	0	0	112.4	S94 Q248	S94-E96 PolarHBondContact O-N 2.73Å; S94-E96 PolarHBondContact OG-N 3.06Å; E96-Q248 PolarHBondContact OE1-NE2 2.81Å
97	D	43.5	Very low	42.9	Very low	120 Å²	120	72.7 Å²	72.7	64%	0.642	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-24.8	-175.7	-64.8	-46.3	0	0	0	112.9	S94	S94-D97 WeakPolarHBondContact CB-OD2 3.46Å; S94-D97 PolarHBondContact O-N 3.3Å
98	H	41.2	Very low	42.3	Very low	55 Å²	55	73.4 Å²	73.4	26%	0.255	37%	0.365	S	S	.	.			trans	-138.5	83	-169.9	-56.7	-43.7	0	0	0	110.3	S94 F100	S94-H98 PolarHBondContact O-N 3.23Å; S94-H98 VanDerWaalsContact O-N 3.08Å; H98-F100 VanDerWaalsContact C-N 3.35Å; H98-F100 HydrophobicContact CB-CD2 4.26Å; H98-F100 HydrophobicContact CB-CE2 4.15Å; H98-F100 VanDerWaalsContact O-CD2 3.24Å; H98-F100 WeakPolarHBondContact O-CD2 3.28Å; H98-F100 PolarHBondContact O-N 3.45Å
99	A	40	Very low	42.1	Very low	67 Å²	67	68.8 Å²	68.8	55%	0.554	35%	0.348	S	S	*	.			trans	-62.4	99.6	166.3	0	0	0	0	0	108.4	S101	A99-S101 PolarHBondContact O-N 2.59Å; A99-S101 PolarHBondContact O-OG 3.32Å
100	F	40.5	Very low	41.9	Very low	68 Å²	68	68.3 Å²	68.3	30%	0.298	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	36.5	176.3	-82.1	-81.6	0	0	0	112.6	F93 H98 D102 L103 K104	F93-F100 HydrophobicContact CB-CE2 4.09Å; F93-F100 HydrophobicContact CD1-CE1 4.4Å; F93-F100 AromaticContact CD1-CE2 3.41Å; F93-F100 HydrophobicContact CD1-CE2 3.41Å; F93-F100 VanDerWaalsContact CD1-CE2 3.41Å; F93-F100 AromaticContact CD1-CZ 3.2Å; F93-F100 HydrophobicContact CD1-CZ 3.2Å; F93-F100 HydrophobicContact CD2-CZ 4.37Å; F93-F100 HydrophobicContact CE1-CE1 4.05Å; F93-F100 AromaticContact CE1-CE2 3.9Å; F93-F100 HydrophobicContact CE1-CE2 3.9Å; F93-F100 AromaticContact CE1-CZ 3.16Å; F93-F100 HydrophobicContact CE1-CZ 3.16Å; F93-F100 HydrophobicContact CE2-CZ 4.34Å; F93-F100 AromaticContact CG-CE2 3.78Å; F93-F100 HydrophobicContact CG-CE2 3.78Å; F93-F100 AromaticContact CG-CZ 3.8Å; F93-F100 HydrophobicContact CG-CZ 3.8Å; F93-F100 HydrophobicContact CZ-CE1 4.49Å; F93-F100 AromaticContact CZ-CZ 3.71Å; F93-F100 HydrophobicContact CZ-CZ 3.71Å; H98-F100 VanDerWaalsContact C-N 3.35Å; H98-F100 HydrophobicContact CB-CD2 4.26Å; H98-F100 HydrophobicContact CB-CE2 4.15Å; H98-F100 VanDerWaalsContact O-CD2 3.24Å; H98-F100 WeakPolarHBondContact O-CD2 3.28Å; H98-F100 PolarHBondContact O-N 3.45Å; F100-D102 PolarHBondContact O-N 2.94Å; F100-D102 VanDerWaalsContact O-N 3.12Å; F100-L103 HydrophobicContact CB-CB 4.11Å; F100-L103 HydrophobicContact CD1-CB 3.87Å; F100-L103 HydrophobicContact CD1-CD2 4.17Å; F100-L103 HydrophobicContact CG-CB 4.46Å; F100-L103 PolarHBondContact O-N 3.01Å; F100-L103 VanDerWaalsContact O-N 3.16Å; F100-K104 WeakPolarHBondContact O-CB 3.41Å; F100-K104 PolarHBondContact O-N 2.93Å
101	S	44	Very low	41.4	Very low	60 Å²	60	67.2 Å²	67.2	42%	0.42	36%	0.358	S	S	.	.	H	α-helix	trans	-52.9	-31.7	170.8	52.8	0	0	0	0	111.3	A99 K104 S105	A99-S101 PolarHBondContact O-N 2.59Å; A99-S101 PolarHBondContact O-OG 3.32Å; S101-K104 CarbonylContact O-C 3.58Å; S101-K104 WeakPolarHBondContact O-CB 3.41Å; S101-K104 PolarHBondContact O-N 2.96Å; S101-S105 WeakPolarHBondContact O-CB 3.15Å; S101-S105 PolarHBondContact O-N 3.33Å; S101-S105 PolarHBondContact O-OG 3.29Å; S101-S105 VanDerWaalsContact O-OG 3.09Å
102	D	42.8	Very low	40.8	Very low	69 Å²	69	71.4 Å²	71.4	37%	0.369	38%	0.384	S	S	.	.	H	α-helix	trans	-73.1	-41.7	-179	-49.8	-33.8	0	0	0	111.7	R37 I41 F100 K104 S105 L106	R37-D102 IonicContact CZ-OD2 2.89Å; R37-D102 IonicContact NH2-OD2 3.23Å; R37-D102 PolarHBondContact NH2-OD2 2.84Å; I41-D102 HydrophobicContact CD1-CB 4.39Å; F100-D102 PolarHBondContact O-N 2.94Å; F100-D102 VanDerWaalsContact O-N 3.12Å; D102-K104 VanDerWaalsContact C-N 3.29Å; D102-K104 PolarHBondContact O-N 3.43Å; D102-S105 PolarHBondContact O-N 3.2Å; D102-L106 WeakPolarHBondContact O-CB 3.18Å; D102-L106 PolarHBondContact O-N 3.38Å
103	L	39.9	Very low	40.2	Very low	36 Å²	36	69.8 Å²	69.8	19%	0.188	38%	0.375	C	S	.	.	H	α-helix	trans	-65	-37.8	171.5	-170.1	74	0	0	0	110.5	I44 F100 L106 M107	I44-L103 HydrophobicContact CG2-CD1 3.83Å; F100-L103 HydrophobicContact CB-CB 4.11Å; F100-L103 HydrophobicContact CD1-CB 3.87Å; F100-L103 HydrophobicContact CD1-CD2 4.17Å; F100-L103 HydrophobicContact CG-CB 4.46Å; F100-L103 PolarHBondContact O-N 3.01Å; F100-L103 VanDerWaalsContact O-N 3.16Å; L103-L106 HydrophobicContact CD1-CD2 4.44Å; L103-L106 WeakPolarHBondContact O-CB 3.13Å; L103-L106 PolarHBondContact O-N 3.31Å; L103-M107 WeakPolarHBondContact O-CB 3.39Å; L103-M107 WeakPolarHBondContact O-CG 3.45Å; L103-M107 PolarHBondContact O-N 3.36Å
104	K	40.7	Very low	39.7	Very low	89 Å²	89	77.2 Å²	77.2	39%	0.387	42%	0.415	S	S	.	.	H	α-helix	trans	-61	-45.5	171.3	179.3	-175.5	176.9	-179.2	0	111.3	F100 S101 D102 L106 M107 E108 Y237	F100-K104 WeakPolarHBondContact O-CB 3.41Å; F100-K104 PolarHBondContact O-N 2.93Å; S101-K104 CarbonylContact O-C 3.58Å; S101-K104 WeakPolarHBondContact O-CB 3.41Å; S101-K104 PolarHBondContact O-N 2.96Å; D102-K104 VanDerWaalsContact C-N 3.29Å; D102-K104 PolarHBondContact O-N 3.43Å; K104-L106 VanDerWaalsContact C-N 3.31Å; K104-L106 PolarHBondContact O-N 3.22Å; K104-M107 CarbonylContact O-C 3.5Å; K104-M107 WeakPolarHBondContact O-CB 3.3Å; K104-M107 PolarHBondContact O-N 3.34Å; K104-E108 WeakPolarHBondContact CE-OE1 3.18Å; K104-E108 WeakPolarHBondContact O-CB 3.37Å; K104-E108 VanDerWaalsContact O-CG 3.32Å; K104-E108 WeakPolarHBondContact O-CG 3.37Å; K104-E108 PolarHBondContact O-N 2.73Å; K104-Y237 HydrophobicContact CD-CD1 4.44Å; K104-Y237 HydrophobicContact CG-CD1 4.18Å
105	S	44.8	Very low	39.1	Very low	55 Å²	55	81.3 Å²	81.3	39%	0.385	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-34	175.3	-68.6	0	0	0	0	112.3	S101 D102 E108 R109	S101-S105 WeakPolarHBondContact O-CB 3.15Å; S101-S105 PolarHBondContact O-N 3.33Å; S101-S105 PolarHBondContact O-OG 3.29Å; S101-S105 VanDerWaalsContact O-OG 3.09Å; D102-S105 PolarHBondContact O-N 3.2Å; S105-E108 PolarHBondContact O-N 2.71Å; S105-R109 WeakPolarHBondContact O-CB 3.33Å; S105-R109 WeakPolarHBondContact O-CG 3.41Å; S105-R109 PolarHBondContact O-N 3.1Å
106	L	43	Very low	38.9	Very low	12 Å²	12	83.5 Å²	83.5	6%	0.063	45%	0.45	C	S	.	.	H	α-helix	trans	-64.3	-44.8	171.3	-160.8	81.6	0	0	0	111	D45 Y48 D102 L103 K104 R109 L110	D45-L106 WeakPolarHBondContact OD1-CD1 3.34Å; D45-L106 WeakPolarHBondContact OD1-CD2 3.39Å; Y48-L106 HydrophobicContact CD1-CD1 4.39Å; Y48-L106 HydrophobicContact CD1-CD2 3.96Å; Y48-L106 HydrophobicContact CD1-CG 4.3Å; Y48-L106 HydrophobicContact CE1-CG 4.47Å; Y48-L106 HydrophobicContact CG-CD2 4.03Å; D102-L106 WeakPolarHBondContact O-CB 3.18Å; D102-L106 PolarHBondContact O-N 3.38Å; L103-L106 HydrophobicContact CD1-CD2 4.44Å; L103-L106 WeakPolarHBondContact O-CB 3.13Å; L103-L106 PolarHBondContact O-N 3.31Å; K104-L106 VanDerWaalsContact C-N 3.31Å; K104-L106 PolarHBondContact O-N 3.22Å; L106-R109 PolarHBondContact O-N 2.89Å; L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 PolarHBondContact O-N 2.83Å
107	M	39.8	Very low	38.2	Very low	93 Å²	93	81.8 Å²	81.8	46%	0.458	44%	0.443	S	S	.	.	H	α-helix	trans	-65.7	-32.6	173.8	-73.7	-172	61.4	0	0	113.5	L103 K104 L110 S111	L103-M107 WeakPolarHBondContact O-CB 3.39Å; L103-M107 WeakPolarHBondContact O-CG 3.45Å; L103-M107 PolarHBondContact O-N 3.36Å; K104-M107 CarbonylContact O-C 3.5Å; K104-M107 WeakPolarHBondContact O-CB 3.3Å; K104-M107 PolarHBondContact O-N 3.34Å; M107-L110 WeakPolarHBondContact O-CB 3.48Å; M107-S111 PolarHBondContact O-N 3.1Å
108	E	37.8	Very low	37.7	Very low	60 Å²	60	79.8 Å²	79.8	28%	0.28	43%	0.427	S	S	.	.	H	α-helix	trans	-69.8	-45.5	173.7	-76.6	169.1	177.1	0	0	110.9	K104 S105 L110 S111 T112 Y237	K104-E108 WeakPolarHBondContact CE-OE1 3.18Å; K104-E108 WeakPolarHBondContact O-CB 3.37Å; K104-E108 VanDerWaalsContact O-CG 3.32Å; K104-E108 WeakPolarHBondContact O-CG 3.37Å; K104-E108 PolarHBondContact O-N 2.73Å; S105-E108 PolarHBondContact O-N 2.71Å; E108-L110 PolarHBondContact O-N 3.5Å; E108-S111 PolarHBondContact O-N 2.85Å; E108-S111 PolarHBondContact O-OG 3.12Å; E108-T112 PolarHBondContact O-N 3.46Å; E108-T112 PolarHBondContact O-OG1 3.12Å; E108-Y237 HydrophobicContact CG-CE1 3.67Å; E108-Y237 VanDerWaalsContact OE1-CE1 3.32Å; E108-Y237 WeakPolarHBondContact OE1-CE1 3.05Å; E108-Y237 PolarHBondContact OE1-OH 3.37Å
109	R	40.9	Very low	37.2	Very low	165 Å²	165	81.8 Å²	81.8	62%	0.623	44%	0.439	S	S	*	.	H	α-helix	trans	-56.4	-39.7	173.9	-76.8	176.2	66.5	-167	-3.7	111.8	S105 L106 S111 T112 S113	S105-R109 WeakPolarHBondContact O-CB 3.33Å; S105-R109 WeakPolarHBondContact O-CG 3.41Å; S105-R109 PolarHBondContact O-N 3.1Å; L106-R109 PolarHBondContact O-N 2.89Å; R109-S111 PolarHBondContact O-N 3.16Å; R109-T112 WeakPolarHBondContact CA-OG1 3.44Å; R109-T112 PolarHBondContact O-N 3.26Å; R109-T112 PolarHBondContact O-OG1 2.85Å; R109-S113 PolarHBondContact O-N 2.91Å
110	L	37.3	Very low	36.8	Very low	25 Å²	25	81.2 Å²	81.2	13%	0.131	43%	0.426	C	S	.	.	H	α-helix	trans	-54.4	-45.2	172.7	-100.6	168.2	0	0	0	113.3	Y48 L106 M107 E108 T112	Y48-L110 HydrophobicContact CD2-CD1 4.39Å; Y48-L110 HydrophobicContact CE2-CD1 3.56Å; Y48-L110 HydrophobicContact CE2-CD2 3.66Å; Y48-L110 HydrophobicContact CE2-CG 3.72Å; Y48-L110 WeakPolarHBondContact OH-CD2 3.24Å; Y48-L110 WeakPolarHBondContact OH-CG 3.43Å; L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 PolarHBondContact O-N 2.83Å; M107-L110 WeakPolarHBondContact O-CB 3.48Å; E108-L110 PolarHBondContact O-N 3.5Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-T112 PolarHBondContact O-N 3.5Å
111	S	31.9	Very low	36.3	Very low	97 Å²	97	80.8 Å²	80.8	68%	0.678	43%	0.427	S	S	*	.	H	α-helix	trans	-70	-28.2	-179.5	76	0	0	0	0	113.7	M107 E108 R109	M107-S111 PolarHBondContact O-N 3.1Å; E108-S111 PolarHBondContact O-N 2.85Å; E108-S111 PolarHBondContact O-OG 3.12Å; R109-S111 PolarHBondContact O-N 3.16Å
112	T	32	Very low	35.9	Very low	101 Å²	101	81.1 Å²	81.1	62%	0.62	42%	0.422	S	S	*	.	H	α-helix	trans	-91.9	-6.7	-178	54.1	0	0	0	0	113.9	E108 R109 L110 N114	E108-T112 PolarHBondContact O-N 3.46Å; E108-T112 PolarHBondContact O-OG1 3.12Å; R109-T112 WeakPolarHBondContact CA-OG1 3.44Å; R109-T112 PolarHBondContact O-N 3.26Å; R109-T112 PolarHBondContact O-OG1 2.85Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-T112 PolarHBondContact O-N 3.5Å; T112-N114 PolarHBondContact O-N 3.46Å
113	S	30.6	Very low	35.5	Very low	44 Å²	44	82.1 Å²	82.1	31%	0.308	42%	0.42	S	S	.	.			trans	-62.4	109	172	178	0	0	0	0	108.6	R109 Q115	R109-S113 PolarHBondContact O-N 2.91Å; S113-Q115 PolarHBondContact O-N 2.9Å; S113-Q115 WeakPolarHBondContact OG-CB 3.37Å; S113-Q115 PolarHBondContact OG-N 3.04Å
114	N	33.1	Very low	35	Very low	164 Å²	164	82.2 Å²	82.2	88%	0.877	43%	0.43	S	S	*	.			trans	-64.2	6.1	171.2	-81.5	-21.6	0	0	0	113.1	T112 T116	T112-N114 PolarHBondContact O-N 3.46Å; N114-T116 PolarHBondContact O-N 2.79Å; N114-T116 VanDerWaalsContact O-N 3.09Å
115	Q	31.8	Very low	34.7	Very low	105 Å²	105	80.9 Å²	80.9	49%	0.491	43%	0.432	S	S	.	.			trans	-71.8	103.7	163	-64.2	-176.3	-12.2	0	0	106.9	S113 E117 Y118	S113-Q115 PolarHBondContact O-N 2.9Å; S113-Q115 WeakPolarHBondContact OG-CB 3.37Å; S113-Q115 PolarHBondContact OG-N 3.04Å; Q115-E117 PolarHBondContact O-N 3.02Å; Q115-Y118 HydrophobicContact CB-CD2 4.19Å; Q115-Y118 HydrophobicContact CB-CE2 3.85Å; Q115-Y118 PolarHBondContact OE1-OH 3.13Å
116	T	35	Very low	34.3	Very low	125 Å²	125	78.6 Å²	78.6	77%	0.767	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	13.1	172.1	34.9	0	0	0	0	114.2	N114 M297	N114-T116 PolarHBondContact O-N 2.79Å; N114-T116 VanDerWaalsContact O-N 3.09Å; T116-M297 WeakPolarHBondContact O-CE 3.18Å
117	E	32.7	Very low	34	Very low	108 Å²	108	84.2 Å²	84.2	51%	0.505	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-4.7	-172.1	-62.5	-171.5	168.3	0	0	114.2	Q115 M297 F301	Q115-E117 PolarHBondContact O-N 3.02Å; E117-M297 VanDerWaalsContact C-CE 3.44Å; E117-M297 WeakPolarHBondContact O-CE 3.44Å; E117-F301 HydrophobicContact CB-CZ 4.25Å; E117-F301 WeakPolarHBondContact O-CE2 3.04Å; E117-F301 WeakPolarHBondContact O-CZ 3.5Å
118	Y	32.2	Very low	33.9	Very low	78 Å²	78	82.3 Å²	82.3	31%	0.306	42%	0.424	S	S	.	.			trans	-110.3	72.8	-173.6	-57.2	-70.9	0	0	0	114.2	Q115 L120 F301	Q115-Y118 HydrophobicContact CB-CD2 4.19Å; Q115-Y118 HydrophobicContact CB-CE2 3.85Å; Q115-Y118 PolarHBondContact OE1-OH 3.13Å; Y118-L120 PolarHBondContact O-N 2.81Å; Y118-F301 HydrophobicContact CD1-CD1 4.3Å; Y118-F301 AromaticContact CD1-CE1 3.86Å; Y118-F301 HydrophobicContact CD1-CE1 3.86Å; Y118-F301 HydrophobicContact CD1-CZ 4.04Å; Y118-F301 HydrophobicContact CE1-CD1 4.13Å; Y118-F301 AromaticContact CE1-CE1 3.5Å; Y118-F301 HydrophobicContact CE1-CE1 3.5Å; Y118-F301 VanDerWaalsContact CE1-CE1 3.5Å; Y118-F301 AromaticContact CE1-CZ 3.98Å; Y118-F301 HydrophobicContact CE1-CZ 3.98Å
119	N	31.3	Very low	34.4	Very low	96 Å²	96	80 Å²	80	51%	0.513	41%	0.413	S	S	.	.			trans	-83.9	81.7	160.4	-70.7	-28	0	0	0	110.2	L121 Q294 M297	N119-L121 PolarHBondContact O-N 2.81Å; N119-L121 VanDerWaalsContact O-N 3.11Å; N119-Q294 HydrophobicContact CB-CG 4.06Å; N119-Q294 WeakPolarHBondContact O-CG 3.42Å; N119-Q294 PolarHBondContact O-NE2 3.3Å; N119-M297 HydrophobicContact CB-CE 4.47Å
120	L	31.3	Very low	35	Very low	55 Å²	55	79.5 Å²	79.5	29%	0.288	42%	0.416	S	S	.	.			trans	-60	115.7	177	-134.7	108.3	0	0	0	110.1	Y118 Q122 N303	Y118-L120 PolarHBondContact O-N 2.81Å; L120-Q122 HydrophobicContact CD2-CG 4.08Å; L120-Q122 PolarHBondContact O-N 2.78Å; L120-N303 HydrophobicContact CG-CB 4.48Å; L120-N303 WeakPolarHBondContact CG-OD1 3.42Å
121	L	29.5	Very low	35.7	Very low	60 Å²	60	83.6 Å²	83.6	31%	0.314	44%	0.438	S	S	.	.			trans	-82.3	115	167.4	-79.7	171	0	0	0	108.1	N119	N119-L121 PolarHBondContact O-N 2.81Å; N119-L121 VanDerWaalsContact O-N 3.11Å
122	Q	35.9	Very low	36.1	Very low	66 Å²	66	81.6 Å²	81.6	31%	0.308	43%	0.432	S	S	.	.			trans	-91.1	-7	-167.3	-71.3	-175.8	-18.5	0	0	116.1	L120	L120-Q122 HydrophobicContact CD2-CG 4.08Å; L120-Q122 PolarHBondContact O-N 2.78Å
123	W	33.2	Very low	36.6	Very low	90 Å²	90	81.9 Å²	81.9	34%	0.341	43%	0.427	S	S	.	.			trans	-150.1	149.5	-167	-55.8	96.4	0	0	0	116.2	I147 P148 F308	W123-I147 HydrophobicContact CE3-CG2 4.02Å; W123-I147 HydrophobicContact CZ3-CG2 4.16Å; W123-P148 HydrophobicContact CZ3-CG 4.38Å; W123-F308 HydrophobicContact CE3-CD2 4.15Å; W123-F308 AromaticContact CH2-CD2 3.33Å; W123-F308 HydrophobicContact CH2-CD2 3.33Å; W123-F308 AromaticContact CH2-CE2 3.21Å; W123-F308 HydrophobicContact CH2-CE2 3.21Å; W123-F308 HydrophobicContact CH2-CG 4.16Å; W123-F308 HydrophobicContact CH2-CZ 4.01Å; W123-F308 HydrophobicContact CZ2-CE2 4.25Å; W123-F308 HydrophobicContact CZ3-CB 4.11Å; W123-F308 AromaticContact CZ3-CD2 3.06Å; W123-F308 HydrophobicContact CZ3-CD2 3.06Å; W123-F308 AromaticContact CZ3-CE2 3.52Å; W123-F308 HydrophobicContact CZ3-CE2 3.52Å; W123-F308 AromaticContact CZ3-CG 3.78Å; W123-F308 HydrophobicContact CZ3-CG 3.78Å
124	G	30.6	Very low	37	Very low	38 Å²	38	82.7 Å²	82.7	39%	0.392	43%	0.43	S	S	.	.			trans	-129.6	171.4	-172.1	0	0	0	0	0	115.7
125	S	33.7	Very low	37.2	Very low	61 Å²	61	80 Å²	80	43%	0.427	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.3	179.7	-61.8	0	0	0	0	112.3
126	I	36.4	Very low	37.6	Very low	8 Å²	8	78.8 Å²	78.8	4%	0.041	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.9	174.8	-53.5	177.6	0	0	0	111.5	L79 Y128 Y145 I147 I307 T309	L79-I126 HydrophobicContact CD1-CD1 4.1Å; I126-Y128 HydrophobicContact CB-CD2 4.5Å; I126-Y128 HydrophobicContact CB-CE2 3.89Å; I126-Y128 HydrophobicContact CG2-CD2 3.79Å; I126-Y128 HydrophobicContact CG2-CE1 4.35Å; I126-Y128 HydrophobicContact CG2-CE2 3.21Å; I126-Y145 PolarHBondContact N-O 3.49Å; I126-Y145 PolarHBondContact O-N 2.82Å; I126-I147 HydrophobicContact CD1-CD1 3.69Å; I126-I147 HydrophobicContact CG1-CD1 3.94Å; I126-I307 HydrophobicContact CD1-CG2 4.06Å; I126-T309 HydrophobicContact CD1-CG2 3.13Å
127	R	38.1	Very low	38.2	Very low	129 Å²	129	82.9 Å²	82.9	49%	0.487	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.6	-179.3	-72.8	176.6	177.7	175.3	-5.3	109.2	R135 V142 L144	R127-R135 HydrophobicContact CB-CB 3.96Å; R127-R135 VanDerWaalsContact NH1-NH1 3.1Å; R127-R135 PolarHBondContact O-N 3.04Å; R127-V142 HydrophobicContact CB-CG1 3.68Å; R127-V142 HydrophobicContact CG-CG1 4.01Å; R127-L144 HydrophobicContact CG-CD1 3.66Å
128	Y	35.9	Very low	39.1	Very low	53 Å²	53	81.9 Å²	81.9	21%	0.208	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.4	175.5	-66.7	-88.2	0	0	0	110.6	I126 G132 Q133 V134 Y143 Y145	I126-Y128 HydrophobicContact CB-CD2 4.5Å; I126-Y128 HydrophobicContact CB-CE2 3.89Å; I126-Y128 HydrophobicContact CG2-CD2 3.79Å; I126-Y128 HydrophobicContact CG2-CE1 4.35Å; I126-Y128 HydrophobicContact CG2-CE2 3.21Å; Y128-G132 VanDerWaalsContact CD1-O 3.26Å; Y128-G132 WeakPolarHBondContact CD1-O 3.44Å; Y128-Q133 CarbonylContact C-O 3.55Å; Y128-Q133 VanDerWaalsContact CA-O 3.25Å; Y128-Q133 WeakPolarHBondContact CA-O 3.16Å; Y128-V134 HydrophobicContact CD1-CG2 4.23Å; Y128-V134 HydrophobicContact CE1-CG2 3.73Å; Y128-Y143 PolarHBondContact N-O 2.75Å; Y128-Y143 PolarHBondContact O-N 3.22Å; Y128-Y145 AromaticContact CD2-CD2 3.72Å; Y128-Y145 HydrophobicContact CD2-CD2 3.72Å; Y128-Y145 HydrophobicContact CD2-CE2 4.46Å; Y128-Y145 HydrophobicContact CD2-CG 4.35Å; Y128-Y145 HydrophobicContact CG-CD2 4.39Å
129	N	49.2	Very low	40	Very low	11 Å²	11	80 Å²	80	6%	0.059	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	173.6	167.7	69.9	22.5	0	0	0	110.5	N131 G132 Q133 D139	N129-N131 PolarHBondContact O-N 3.28Å; N129-N131 WeakPolarHBondContact OD1-CA 3.34Å; N129-N131 WeakPolarHBondContact OD1-CB 3.37Å; N129-N131 PolarHBondContact OD1-N 2.93Å; N129-G132 PolarHBondContact O-N 3.11Å; N129-G132 PolarHBondContact OD1-N 3.43Å; N129-Q133 PolarHBondContact N-O 2.74Å; N129-Q133 PolarHBondContact OD1-N 3.37Å; N129-Q133 VanDerWaalsContact OD1-N 3.12Å; N129-D139 HydrophobicContact CB-CB 4.43Å; N129-D139 PolarHBondContact ND2-OD2 3.3Å; N129-D139 VanDerWaalsContact ND2-OD2 3.09Å
130	K	52.8	Low	41.2	Very low	155 Å²	155	83.3 Å²	83.3	67%	0.674	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-14.4	179.3	65.8	178.1	-177.8	178.3	0	115.5	Y143	K130-Y143 HydrophobicContact CB-CE2 3.92Å
131	N	52.5	Low	42.1	Very low	112 Å²	112	83.8 Å²	83.8	60%	0.599	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	8.7	178.6	-56.5	-28.2	0	0	0	112.2	N129 Q133	N129-N131 PolarHBondContact O-N 3.28Å; N129-N131 WeakPolarHBondContact OD1-CA 3.34Å; N129-N131 WeakPolarHBondContact OD1-CB 3.37Å; N129-N131 PolarHBondContact OD1-N 2.93Å; N131-Q133 VanDerWaalsContact C-N 3.29Å; N131-Q133 HydrophobicContact CB-CG 4.41Å; N131-Q133 PolarHBondContact O-N 3.07Å
132	G	40.5	Very low	42.7	Very low	54 Å²	54	83.5 Å²	83.5	56%	0.557	44%	0.442	S	S	*	.	S	Bend	trans	73.3	17.8	-178.1	0	0	0	0	0	114.1	Y128 N129	Y128-G132 VanDerWaalsContact CD1-O 3.26Å; Y128-G132 WeakPolarHBondContact CD1-O 3.44Å; N129-G132 PolarHBondContact O-N 3.11Å; N129-G132 PolarHBondContact OD1-N 3.43Å
133	Q	42.2	Very low	42.9	Very low	108 Å²	108	87 Å²	87	51%	0.505	45%	0.453	S	S	.	.			trans	-100.5	143.8	179	-59.6	175.2	-27.6	0	0	111.1	Y128 N129 N131 R135	Y128-Q133 CarbonylContact C-O 3.55Å; Y128-Q133 VanDerWaalsContact CA-O 3.25Å; Y128-Q133 WeakPolarHBondContact CA-O 3.16Å; N129-Q133 PolarHBondContact N-O 2.74Å; N129-Q133 PolarHBondContact OD1-N 3.37Å; N129-Q133 VanDerWaalsContact OD1-N 3.12Å; N131-Q133 VanDerWaalsContact C-N 3.29Å; N131-Q133 HydrophobicContact CB-CG 4.41Å; N131-Q133 PolarHBondContact O-N 3.07Å; Q133-R135 PolarHBondContact O-N 3.48Å
134	V	39.5	Very low	43.1	Very low	60 Å²	60	87.3 Å²	87.3	36%	0.364	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-60	132.5	177.5	177.5	0	0	0	0	109.9	L79 Y128 N136	L79-V134 HydrophobicContact CD2-CG1 4.03Å; Y128-V134 HydrophobicContact CD1-CG2 4.23Å; Y128-V134 HydrophobicContact CE1-CG2 3.73Å; V134-N136 PolarHBondContact O-N 2.84Å
135	R	36.1	Very low	43.2	Very low	108 Å²	108	91.5 Å²	91.5	41%	0.408	47%	0.466	S	S	.	.			trans	-45.8	130.1	-175.9	176.2	178.6	178.9	-170.3	-3.9	112.8	R127 Q133	R127-R135 HydrophobicContact CB-CB 3.96Å; R127-R135 VanDerWaalsContact NH1-NH1 3.1Å; R127-R135 PolarHBondContact O-N 3.04Å; Q133-R135 PolarHBondContact O-N 3.48Å
136	N	41	Very low	43.2	Very low	80 Å²	80	93 Å²	93	43%	0.428	47%	0.466	S	S	.	.			trans	-97.9	164.5	156.9	69.2	34	0	0	0	110.8	V134 S138 D139	V134-N136 PolarHBondContact O-N 2.84Å; N136-S138 PolarHBondContact O-N 3.07Å; N136-S138 PolarHBondContact OD1-N 3Å; N136-S138 PolarHBondContact OD1-OG 3.47Å; N136-D139 PolarHBondContact N-OD2 3.21Å; N136-D139 PolarHBondContact O-N 3.04Å; N136-D139 PolarHBondContact OD1-N 2.99Å; N136-D139 PolarHBondContact OD1-OD1 3.11Å; N136-D139 PolarHBondContact OD1-OD2 3.41Å
137	K	47.1	Very low	43	Very low	210 Å²	210	93.5 Å²	93.5	91%	0.913	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-19.9	-173.7	-71.9	-177	178.7	178.9	0	114
138	S	52.7	Low	42.7	Very low	88 Å²	88	88.8 Å²	88.8	62%	0.615	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-7.2	-175.8	38.8	0	0	0	0	115.5	N136 N140	N136-S138 PolarHBondContact O-N 3.07Å; N136-S138 PolarHBondContact OD1-N 3Å; N136-S138 PolarHBondContact OD1-OG 3.47Å; S138-N140 PolarHBondContact O-N 3.09Å
139	D	51.3	Low	42.7	Very low	37 Å²	37	87.8 Å²	87.8	20%	0.198	45%	0.453	C	S	.	.			trans	-81.6	108.5	-176.6	-71.3	-25.6	0	0	0	111.7	N129 N136 V142	N129-D139 HydrophobicContact CB-CB 4.43Å; N129-D139 PolarHBondContact ND2-OD2 3.3Å; N129-D139 VanDerWaalsContact ND2-OD2 3.09Å; N136-D139 PolarHBondContact N-OD2 3.21Å; N136-D139 PolarHBondContact O-N 3.04Å; N136-D139 PolarHBondContact OD1-N 2.99Å; N136-D139 PolarHBondContact OD1-OD1 3.11Å; N136-D139 PolarHBondContact OD1-OD2 3.41Å; D139-V142 WeakPolarHBondContact O-CG2 3.46Å
140	N	55.4	Low	42.1	Very low	166 Å²	166	87.9 Å²	87.9	89%	0.888	45%	0.453	S	S	*	.			trans	-84.8	-15.2	179.3	-69.8	-22.1	0	0	0	114.1	S138	S138-N140 PolarHBondContact O-N 3.09Å
141	A	50.7	Low	41.3	Very low	66 Å²	66	81.9 Å²	81.9	55%	0.545	43%	0.428	S	S	.	.	S	Bend	trans	-115.6	102.6	-179.7	0	0	0	0	0	110
142	V	42.2	Very low	40.5	Very low	53 Å²	53	83 Å²	83	32%	0.321	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.6	-168.6	-177.1	0	0	0	0	110.1	R127 D139	R127-V142 HydrophobicContact CB-CG1 3.68Å; R127-V142 HydrophobicContact CG-CG1 4.01Å; D139-V142 WeakPolarHBondContact O-CG2 3.46Å
143	Y	39.8	Very low	40.6	Very low	141 Å²	141	81 Å²	81	55%	0.553	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.5	163.8	-61.2	-77.9	0	0	0	108.1	Y128 K130	Y128-Y143 PolarHBondContact N-O 2.75Å; Y128-Y143 PolarHBondContact O-N 3.22Å; K130-Y143 HydrophobicContact CB-CE2 3.92Å
144	L	36.6	Very low	41	Very low	95 Å²	95	76.7 Å²	76.7	50%	0.497	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	117	173.8	-176.2	73.8	0	0	0	107.8	R127 Q146	R127-L144 HydrophobicContact CG-CD1 3.66Å; L144-Q146 HydrophobicContact CD2-CG 4.3Å; L144-Q146 HydrophobicContact CG-CG 4.34Å
145	Y	33.9	Very low	42	Very low	127 Å²	127	74.7 Å²	74.7	50%	0.498	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.4	171.3	-71.5	-89.3	0	0	0	108.3	I126 Y128	I126-Y145 PolarHBondContact N-O 3.49Å; I126-Y145 PolarHBondContact O-N 2.82Å; Y128-Y145 AromaticContact CD2-CD2 3.72Å; Y128-Y145 HydrophobicContact CD2-CD2 3.72Å; Y128-Y145 HydrophobicContact CD2-CE2 4.46Å; Y128-Y145 HydrophobicContact CD2-CG 4.35Å; Y128-Y145 HydrophobicContact CG-CD2 4.39Å
146	Q	33.8	Very low	43.5	Very low	92 Å²	92	69.5 Å²	69.5	43%	0.43	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.5	172.5	-65.3	-175.9	-38.2	0	0	108	L144 N149	L144-Q146 HydrophobicContact CD2-CG 4.3Å; L144-Q146 HydrophobicContact CG-CG 4.34Å; Q146-N149 WeakPolarHBondContact CB-ND2 3.35Å; Q146-N149 PolarHBondContact OE1-ND2 3Å
147	I	31.3	Very low	45	Very low	18 Å²	18	70.1 Å²	70.1	9%	0.092	36%	0.357	C	S	.	.			trans	-62.5	162.8	167.6	-62.8	162.9	0	0	0	107.7	W123 I126 N149 I307 F308 T309	W123-I147 HydrophobicContact CE3-CG2 4.02Å; W123-I147 HydrophobicContact CZ3-CG2 4.16Å; I126-I147 HydrophobicContact CD1-CD1 3.69Å; I126-I147 HydrophobicContact CG1-CD1 3.94Å; I147-N149 VanDerWaalsContact C-N 3.25Å; I147-N149 PolarHBondContact O-N 3.37Å; I147-N149 PolarHBondContact O-OD1 3.24Å; I147-I307 HydrophobicContact CD1-CG2 4.35Å; I147-F308 WeakPolarHBondContact CD1-O 3.37Å; I147-F308 WeakPolarHBondContact CG1-O 2.92Å; I147-F308 HydrophobicContact CG2-CB 3.82Å; I147-F308 WeakPolarHBondContact CG2-O 3.03Å; I147-T309 HydrophobicContact CD1-CG2 4.46Å
148	P	31.4	Very low	46.7	Very low	30 Å²	30	62.8 Å²	62.8	20%	0.195	33%	0.329	C	S	.	.	S	Bend	trans	-36.9	86.4	170	3.4	-20.2	0	0	0	114.1	W123 T224 Y225 T226	W123-P148 HydrophobicContact CZ3-CG 4.38Å; P148-T224 HydrophobicContact CB-CG2 4.47Å; P148-Y225 WeakPolarHBondContact CA-O 3.16Å; P148-T226 HydrophobicContact CB-CG2 3.82Å; P148-T226 HydrophobicContact CG-CG2 3.84Å
149	N	36.1	Very low	48.1	Very low	32 Å²	32	58.6 Å²	58.6	17%	0.171	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.9	175.7	-77.8	-29.6	0	0	0	105.3	Q146 I147 I151 T224 Y225	Q146-N149 WeakPolarHBondContact CB-ND2 3.35Å; Q146-N149 PolarHBondContact OE1-ND2 3Å; I147-N149 VanDerWaalsContact C-N 3.25Å; I147-N149 PolarHBondContact O-N 3.37Å; I147-N149 PolarHBondContact O-OD1 3.24Å; N149-I151 PolarHBondContact O-N 3.11Å; N149-T224 CarbonylContact O-C 3.07Å; N149-T224 WeakPolarHBondContact O-CA 3.45Å; N149-Y225 PolarHBondContact O-N 3.04Å
150	I	37.7	Very low	49.9	Very low	13 Å²	13	61.6 Å²	61.6	7%	0.067	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	112.4	145.1	-61.6	164.2	0	0	0	105.5	N152 G153 I154 F175 F222 I223	I150-N152 PolarHBondContact O-N 2.95Å; I150-G153 VanDerWaalsContact CG2-CA 3.48Å; I150-G153 PolarHBondContact O-N 3.15Å; I150-G153 VanDerWaalsContact O-N 3.07Å; I150-I154 WeakPolarHBondContact CG2-O 3.32Å; I150-F175 HydrophobicContact CD1-CE1 4.44Å; I150-F175 HydrophobicContact CD1-CE2 4.41Å; I150-F175 HydrophobicContact CD1-CZ 3.6Å; I150-F222 HydrophobicContact CD1-CD1 3.45Å; I150-F222 VanDerWaalsContact CD1-CD1 3.45Å; I150-F222 HydrophobicContact CD1-CE1 3.48Å; I150-F222 VanDerWaalsContact CD1-CE1 3.48Å; I150-F222 HydrophobicContact CD1-CG 4.32Å; I150-F222 HydrophobicContact CD1-CZ 4.38Å; I150-F222 HydrophobicContact CG1-CB 4.4Å; I150-F222 HydrophobicContact CG1-CD1 3.8Å; I150-F222 HydrophobicContact CG1-CE1 4.32Å; I150-F222 HydrophobicContact CG1-CG 4.35Å; I150-F222 HydrophobicContact CG2-CD1 4.38Å; I150-I223 CarbonylContact C-O 3.52Å; I150-I223 WeakPolarHBondContact CA-O 3.45Å
151	I	35.5	Very low	51.5	Low	30 Å²	30	58.1 Å²	58.1	15%	0.154	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	114.3	-178.1	-59.6	-178.1	0	0	0	107.2	N149 G153 I154 L199 I223 I231	N149-I151 PolarHBondContact O-N 3.11Å; I151-G153 PolarHBondContact O-N 3.43Å; I151-I154 WeakPolarHBondContact O-CB 3.48Å; I151-I154 PolarHBondContact O-N 3.45Å; I151-L199 HydrophobicContact CB-CD2 4.08Å; I151-L199 HydrophobicContact CD1-CD2 3.89Å; I151-L199 HydrophobicContact CG2-CD2 3.73Å; I151-I223 HydrophobicContact CB-CB 4.47Å; I151-I223 HydrophobicContact CB-CG2 4.39Å; I151-I223 HydrophobicContact CD1-CB 4.49Å; I151-I223 HydrophobicContact CD1-CG2 3.55Å; I151-I223 HydrophobicContact CG1-CB 4.44Å; I151-I223 HydrophobicContact CG1-CG2 3.98Å; I151-I223 PolarHBondContact N-O 2.8Å; I151-I231 HydrophobicContact CD1-CB 4.4Å; I151-I231 HydrophobicContact CD1-CD1 3.78Å; I151-I231 HydrophobicContact CD1-CG1 3.75Å; I151-I231 HydrophobicContact CD1-CG2 3.95Å
152	N	35.4	Very low	53.4	Low	136 Å²	136	56.3 Å²	56.3	73%	0.727	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.7	20.5	-178.6	-57.6	-25.2	0	0	0	115.8	I150 I154	I150-N152 PolarHBondContact O-N 2.95Å; N152-I154 HydrophobicContact CB-CD1 3.7Å; N152-I154 HydrophobicContact CB-CG1 3.88Å; N152-I154 PolarHBondContact O-N 3.1Å
153	G	44	Very low	55.7	Low	10 Å²	10	62 Å²	62	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	64.9	21.3	-174	0	0	0	0	0	114.4	I150 I151 D174	I150-G153 VanDerWaalsContact CG2-CA 3.48Å; I150-G153 PolarHBondContact O-N 3.15Å; I150-G153 VanDerWaalsContact O-N 3.07Å; I151-G153 PolarHBondContact O-N 3.43Å; G153-D174 WeakPolarHBondContact O-CA 3.05Å
154	I	48.6	Very low	58.2	Low	19 Å²	19	59.9 Å²	59.9	10%	0.097	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.7	-176	-64.2	171.6	0	0	0	110.9	I150 I151 N152 Y172 S173 F180	I150-I154 WeakPolarHBondContact CG2-O 3.32Å; I151-I154 WeakPolarHBondContact O-CB 3.48Å; I151-I154 PolarHBondContact O-N 3.45Å; N152-I154 HydrophobicContact CB-CD1 3.7Å; N152-I154 HydrophobicContact CB-CG1 3.88Å; N152-I154 PolarHBondContact O-N 3.1Å; I154-Y172 HydrophobicContact CG2-CD1 3.37Å; I154-Y172 HydrophobicContact CG2-CE1 4.3Å; I154-Y172 HydrophobicContact CG2-CG 3.93Å; I154-S173 CarbonylContact C-O 3.44Å; I154-S173 VanDerWaalsContact CA-O 3.3Å; I154-S173 WeakPolarHBondContact CA-O 3.01Å; I154-F180 HydrophobicContact CD1-CE1 4.03Å; I154-F180 HydrophobicContact CD1-CZ 4.22Å; I154-F180 HydrophobicContact CG1-CE1 4.48Å; I154-F180 HydrophobicContact CG2-CE1 4.37Å
155	F	61.6	Low	60.6	Low	17 Å²	17	59.9 Å²	59.9	8%	0.075	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	142.8	170.1	-55.2	-96.1	0	0	0	110.4	Y172 S173 D174 F175 F222	F155-Y172 CarbonylContact O-C 3.51Å; F155-Y172 WeakPolarHBondContact O-CA 3.29Å; F155-S173 WeakPolarHBondContact CD2-O 3.36Å; F155-S173 WeakPolarHBondContact CD2-OG 3.5Å; F155-S173 PolarHBondContact N-O 3.3Å; F155-S173 PolarHBondContact O-N 3.46Å; F155-D174 WeakPolarHBondContact CD2-O 3.47Å; F155-D174 WeakPolarHBondContact CE2-O 3.34Å; F155-F175 HydrophobicContact CE1-CE1 4.24Å; F155-F175 AromaticContact CE2-CD1 3.55Å; F155-F175 HydrophobicContact CE2-CD1 3.55Å; F155-F175 HydrophobicContact CE2-CD2 4.41Å; F155-F175 AromaticContact CE2-CE1 3.8Å; F155-F175 HydrophobicContact CE2-CE1 3.8Å; F155-F175 AromaticContact CE2-CG 3.88Å; F155-F175 HydrophobicContact CE2-CG 3.88Å; F155-F175 HydrophobicContact CE2-CZ 4.34Å; F155-F175 AromaticContact CZ-CD1 3.37Å; F155-F175 HydrophobicContact CZ-CD1 3.37Å; F155-F175 AromaticContact CZ-CE1 3.27Å; F155-F175 HydrophobicContact CZ-CE1 3.27Å; F155-F175 HydrophobicContact CZ-CG 4.17Å; F155-F175 HydrophobicContact CZ-CZ 4.02Å; F155-F222 AromaticContact CD1-CD1 3.76Å; F155-F222 HydrophobicContact CD1-CD1 3.76Å; F155-F222 AromaticContact CD1-CE1 3.5Å; F155-F222 HydrophobicContact CD1-CE1 3.5Å; F155-F222 VanDerWaalsContact CD1-CE1 3.5Å; F155-F222 HydrophobicContact CD1-CZ 4.4Å; F155-F222 AromaticContact CE1-CD1 3.85Å; F155-F222 HydrophobicContact CE1-CD1 3.85Å; F155-F222 AromaticContact CE1-CE1 3.11Å; F155-F222 HydrophobicContact CE1-CE1 3.11Å; F155-F222 AromaticContact CE1-CZ 3.89Å; F155-F222 HydrophobicContact CE1-CZ 3.89Å; F155-F222 HydrophobicContact CZ-CE1 4.06Å
156	L	68.1	Low	63.3	Low	0 Å²	0	60 Å²	60	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.2	156.4	-86.5	86.4	0	0	0	108.7	M159 I170 Y172 F200 S220 L221 I223 Y233	L156-M159 HydrophobicContact CD2-CE 3.44Å; L156-M159 VanDerWaalsContact CD2-CE 3.44Å; L156-I170 HydrophobicContact CD2-CD1 4.48Å; L156-I170 HydrophobicContact CD2-CG2 3.55Å; L156-I170 HydrophobicContact CG-CG2 3.65Å; L156-Y172 HydrophobicContact CD1-CD1 4.09Å; L156-Y172 HydrophobicContact CD1-CE1 3.64Å; L156-Y172 HydrophobicContact CG-CD1 4.1Å; L156-Y172 HydrophobicContact CG-CE1 3.77Å; L156-F200 HydrophobicContact CD2-CE2 3.83Å; L156-F200 HydrophobicContact CD2-CZ 3.94Å; L156-S220 WeakPolarHBondContact O-CA 3.16Å; L156-L221 HydrophobicContact CB-CB 3.98Å; L156-L221 HydrophobicContact CB-CD2 4.15Å; L156-L221 HydrophobicContact CD1-CD2 4.3Å; L156-L221 HydrophobicContact CD2-CD2 3.98Å; L156-L221 HydrophobicContact CG-CD2 4.39Å; L156-L221 PolarHBondContact N-O 2.87Å; L156-L221 PolarHBondContact O-N 2.85Å; L156-I223 HydrophobicContact CD1-CD1 3.3Å; L156-I223 HydrophobicContact CD1-CG1 3.32Å; L156-Y233 HydrophobicContact CD1-CE1 4.48Å
157	R	72.1	Confident	65.9	Low	93 Å²	93	58.1 Å²	58.1	35%	0.351	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-35.9	176.9	-63.9	-64.4	-174.2	160.8	3.1	112.2	L171 S173 Y179 S220	R157-L171 HydrophobicContact CB-CB 4.42Å; R157-L171 HydrophobicContact CB-CD2 3.93Å; R157-L171 HydrophobicContact CB-CG 4.05Å; R157-L171 PolarHBondContact N-O 2.86Å; R157-S173 PolarHBondContact NE-OG 2.65Å; R157-S173 PolarHBondContact NH2-OG 2.85Å; R157-S173 VanDerWaalsContact NH2-OG 3.16Å; R157-Y179 HydrophobicContact CG-CE1 4.39Å; R157-S220 VanDerWaalsContact CD-OG 3.28Å; R157-S220 WeakPolarHBondContact CD-OG 3.23Å; R157-S220 PolarHBondContact NE-OG 3.11Å; R157-S220 PolarHBondContact NH1-OG 2.83Å
158	T	81.7	Confident	68.6	Low	55 Å²	55	57.3 Å²	57.3	34%	0.337	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	144.2	-176	-50.8	0	0	0	0	110.2	I170 L171	T158-I170 CarbonylContact O-C 3.57Å; T158-I170 WeakPolarHBondContact O-CA 3.39Å; T158-L171 PolarHBondContact N-O 2.78Å; T158-L171 PolarHBondContact O-N 3.3Å
159	M	83.2	Confident	71.2	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.9	172.5	-176.7	178.3	-53.4	0	0	109.4	L156 Y168 N169 I170 F200 L206 V209 F210 W213 I214	L156-M159 HydrophobicContact CD2-CE 3.44Å; L156-M159 VanDerWaalsContact CD2-CE 3.44Å; M159-Y168 HydrophobicContact CG-CD1 4.43Å; M159-Y168 HydrophobicContact SD-CD1 4.26Å; M159-N169 WeakPolarHBondContact CA-O 3.34Å; M159-I170 HydrophobicContact CB-CG1 4.39Å; M159-I170 HydrophobicContact CE-CD1 3.74Å; M159-I170 HydrophobicContact CE-CG1 4.02Å; M159-I170 HydrophobicContact CG-CG1 3.89Å; M159-I170 HydrophobicContact SD-CD1 4.48Å; M159-I170 HydrophobicContact SD-CG1 4.47Å; M159-F200 HydrophobicContact CE-CE1 4.46Å; M159-F200 HydrophobicContact CE-CE2 4.07Å; M159-F200 HydrophobicContact CE-CZ 3.73Å; M159-L206 HydrophobicContact CE-CD1 4.03Å; M159-L206 HydrophobicContact SD-CD1 3.85Å; M159-V209 HydrophobicContact CE-CG1 4.21Å; M159-F210 HydrophobicContact CB-CD2 4.29Å; M159-F210 HydrophobicContact CG-CD2 3.65Å; M159-F210 HydrophobicContact CG-CE2 4.3Å; M159-F210 HydrophobicContact SD-CB 3.64Å; M159-F210 HydrophobicContact SD-CD2 3.63Å; M159-F210 HydrophobicContact SD-CG 4.11Å; M159-W213 HydrophobicContact CB-CE3 4.25Å; M159-W213 HydrophobicContact CB-CZ3 3.76Å; M159-I214 HydrophobicContact CB-CD1 4.43Å; M159-I214 VanDerWaalsContact O-CD1 3.29Å; M159-I214 WeakPolarHBondContact O-CD1 2.89Å
160	N	87.9	Confident	73.4	Confident	99 Å²	99	56.7 Å²	56.7	53%	0.529	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.7	179.2	-68.2	-47.8	0	0	0	110	Y168 N169	N160-Y168 CarbonylContact O-C 3.52Å; N160-Y168 VanDerWaalsContact O-CA 3.27Å; N160-Y168 WeakPolarHBondContact O-CA 3.36Å; N160-N169 PolarHBondContact N-O 2.98Å; N160-N169 PolarHBondContact O-N 3.5Å
161	R	90.3	Very high	75.4	Confident	94 Å²	94	58.5 Å²	58.5	36%	0.355	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.5	174.8	-175.6	177.9	69.9	-172.4	-0.8	109.8	Q165 E167 Y168 F210	R161-Q165 HydrophobicContact CG-CB 4.48Å; R161-E167 WeakPolarHBondContact CA-O 3.47Å; R161-Y168 HydrophobicContact CB-CD1 4.06Å; R161-Y168 HydrophobicContact CB-CE1 3.89Å; R161-Y168 VanDerWaalsContact CD-CZ 3.4Å; R161-Y168 WeakPolarHBondContact CD-OH 3.17Å; R161-Y168 HydrophobicContact CG-CD1 4.2Å; R161-Y168 HydrophobicContact CG-CE1 3.74Å; R161-Y168 HydrophobicContact CG-CE2 4.11Å; R161-F210 HydrophobicContact CB-CE1 4.13Å; R161-F210 HydrophobicContact CB-CE2 3.91Å; R161-F210 HydrophobicContact CB-CZ 3.62Å
162	S	90.8	Very high	77	Confident	27 Å²	27	57.1 Å²	57.1	19%	0.189	29%	0.286	C	S	.	.			trans	-62.6	155.4	174.4	64.9	0	0	0	0	111.8	D164 Q165 K166 E167	S162-D164 VanDerWaalsContact CB-OD1 3.32Å; S162-D164 WeakPolarHBondContact CB-OD1 3.46Å; S162-D164 PolarHBondContact O-N 3.25Å; S162-D164 PolarHBondContact OG-OD1 3.35Å; S162-Q165 WeakPolarHBondContact O-CA 3.37Å; S162-Q165 PolarHBondContact O-N 2.86Å; S162-Q165 PolarHBondContact OG-N 3.1Å; S162-K166 PolarHBondContact OG-N 3.26Å; S162-E167 PolarHBondContact N-O 3.19Å; S162-E167 PolarHBondContact OG-N 3.08Å; S162-E167 PolarHBondContact OG-O 3.45Å
163	N	90.8	Very high	78.1	Confident	174 Å²	174	50.6 Å²	50.6	93%	0.93	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.1	-179.5	-69.9	-16.9	0	0	0	112.8	Q165	N163-Q165 VanDerWaalsContact C-N 3.27Å; N163-Q165 PolarHBondContact O-N 3.29Å
164	D	91	Very high	78.6	Confident	96 Å²	96	52.3 Å²	52.3	51%	0.513	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	0.2	176.9	70.7	-12.9	0	0	0	113.5	S162 K166	S162-D164 VanDerWaalsContact CB-OD1 3.32Å; S162-D164 WeakPolarHBondContact CB-OD1 3.46Å; S162-D164 PolarHBondContact O-N 3.25Å; S162-D164 PolarHBondContact OG-OD1 3.35Å; D164-K166 HydrophobicContact CB-CG 4.44Å; D164-K166 PolarHBondContact O-N 2.95Å; D164-K166 VanDerWaalsContact O-N 3.11Å; D164-K166 PolarHBondContact OD1-N 3.16Å; D164-K166 VanDerWaalsContact OD1-N 3.12Å; D164-K166 WeakPolarHBondContact OD2-CD 3.24Å
165	Q	87.5	Confident	78.6	Confident	94 Å²	94	56.5 Å²	56.5	44%	0.439	28%	0.275	S	S	.	.	S	Bend	trans	59.6	14.7	-178.6	-48	-177.9	28.8	0	0	114.8	R161 S162 N163	R161-Q165 HydrophobicContact CG-CB 4.48Å; S162-Q165 WeakPolarHBondContact O-CA 3.37Å; S162-Q165 PolarHBondContact O-N 2.86Å; S162-Q165 PolarHBondContact OG-N 3.1Å; N163-Q165 VanDerWaalsContact C-N 3.27Å; N163-Q165 PolarHBondContact O-N 3.29Å
166	K	90.2	Very high	77.9	Confident	129 Å²	129	62.3 Å²	62.3	56%	0.561	30%	0.303	S	S	*	.	S	Bend	trans	-88.1	-2.5	178.5	-64.1	-173.2	-177.3	172.2	0	113.4	S162 D164 K185 I186	S162-K166 PolarHBondContact OG-N 3.26Å; D164-K166 HydrophobicContact CB-CG 4.44Å; D164-K166 PolarHBondContact O-N 2.95Å; D164-K166 VanDerWaalsContact O-N 3.11Å; D164-K166 PolarHBondContact OD1-N 3.16Å; D164-K166 VanDerWaalsContact OD1-N 3.12Å; D164-K166 WeakPolarHBondContact OD2-CD 3.24Å; K166-K185 CarbonylContact O-C 3.55Å; K166-K185 WeakPolarHBondContact O-CA 2.82Å; K166-I186 PolarHBondContact O-N 2.92Å
167	E	89.4	Confident	77.1	Confident	54 Å²	54	63.6 Å²	63.6	25%	0.252	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	137.8	-178.5	-176.1	167	-138.7	0	0	112	R161 S162 S183 H184 K185	R161-E167 WeakPolarHBondContact CA-O 3.47Å; S162-E167 PolarHBondContact N-O 3.19Å; S162-E167 PolarHBondContact OG-N 3.08Å; S162-E167 PolarHBondContact OG-O 3.45Å; E167-S183 WeakPolarHBondContact OE1-CB 3.42Å; E167-H184 WeakPolarHBondContact CA-O 2.98Å; E167-K185 HydrophobicContact CG-CG 4.49Å
168	Y	88	Confident	76.4	Confident	1 Å²	1	64.3 Å²	64.3	0%	0.004	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.9	168.4	-67.3	-107.8	0	0	0	108.9	M159 N160 R161 S183 H184 I186 L206 F210	M159-Y168 HydrophobicContact CG-CD1 4.43Å; M159-Y168 HydrophobicContact SD-CD1 4.26Å; N160-Y168 CarbonylContact O-C 3.52Å; N160-Y168 VanDerWaalsContact O-CA 3.27Å; N160-Y168 WeakPolarHBondContact O-CA 3.36Å; R161-Y168 HydrophobicContact CB-CD1 4.06Å; R161-Y168 HydrophobicContact CB-CE1 3.89Å; R161-Y168 VanDerWaalsContact CD-CZ 3.4Å; R161-Y168 WeakPolarHBondContact CD-OH 3.17Å; R161-Y168 HydrophobicContact CG-CD1 4.2Å; R161-Y168 HydrophobicContact CG-CE1 3.74Å; R161-Y168 HydrophobicContact CG-CE2 4.11Å; Y168-S183 CarbonylContact O-C 3.58Å; Y168-S183 WeakPolarHBondContact O-CA 3.3Å; Y168-H184 PolarHBondContact N-O 2.79Å; Y168-H184 PolarHBondContact O-N 2.69Å; Y168-I186 HydrophobicContact CD2-CD1 4.44Å; Y168-I186 HydrophobicContact CD2-CG1 4.2Å; Y168-I186 HydrophobicContact CE2-CG1 4.19Å; Y168-L206 HydrophobicContact CD1-CD1 4.28Å; Y168-L206 HydrophobicContact CD1-CD2 4.35Å; Y168-L206 HydrophobicContact CD1-CG 4.18Å; Y168-L206 HydrophobicContact CD2-CD2 3.78Å; Y168-L206 HydrophobicContact CD2-CG 4.43Å; Y168-L206 HydrophobicContact CE1-CG 4.49Å; Y168-L206 HydrophobicContact CE2-CD2 4.33Å; Y168-L206 HydrophobicContact CG-CD1 4.35Å; Y168-L206 HydrophobicContact CG-CD2 3.81Å; Y168-L206 HydrophobicContact CG-CG 4.15Å; Y168-F210 HydrophobicContact CD1-CD2 4.26Å; Y168-F210 HydrophobicContact CD1-CG 4.37Å; Y168-F210 HydrophobicContact CE1-CB 4.08Å; Y168-F210 HydrophobicContact CE1-CD1 4.2Å; Y168-F210 HydrophobicContact CE1-CD2 4.18Å; Y168-F210 AromaticContact CE1-CG 3.88Å; Y168-F210 HydrophobicContact CE1-CG 3.88Å
169	N	86.1	Confident	76	Confident	48 Å²	48	68.7 Å²	68.7	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.7	175.7	-65.7	-54.7	0	0	0	109.1	M159 N160 V181 S183	M159-N169 WeakPolarHBondContact CA-O 3.34Å; N160-N169 PolarHBondContact N-O 2.98Å; N160-N169 PolarHBondContact O-N 3.5Å; N169-V181 HydrophobicContact CB-CG1 4.5Å; N169-S183 WeakPolarHBondContact OD1-CB 3.48Å; N169-S183 PolarHBondContact OD1-OG 2.91Å
170	I	82.4	Confident	75.4	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.3	-177.3	-55.7	173.2	0	0	0	108.7	L156 T158 M159 Y172 V181 A182 F200 L206	L156-I170 HydrophobicContact CD2-CD1 4.48Å; L156-I170 HydrophobicContact CD2-CG2 3.55Å; L156-I170 HydrophobicContact CG-CG2 3.65Å; T158-I170 CarbonylContact O-C 3.57Å; T158-I170 WeakPolarHBondContact O-CA 3.39Å; M159-I170 HydrophobicContact CB-CG1 4.39Å; M159-I170 HydrophobicContact CE-CD1 3.74Å; M159-I170 HydrophobicContact CE-CG1 4.02Å; M159-I170 HydrophobicContact CG-CG1 3.89Å; M159-I170 HydrophobicContact SD-CD1 4.48Å; M159-I170 HydrophobicContact SD-CG1 4.47Å; I170-Y172 HydrophobicContact CB-CD2 4.29Å; I170-Y172 HydrophobicContact CB-CE2 3.56Å; I170-Y172 WeakPolarHBondContact CD1-OH 3.47Å; I170-Y172 HydrophobicContact CG2-CD1 4.14Å; I170-Y172 HydrophobicContact CG2-CD2 4Å; I170-Y172 HydrophobicContact CG2-CE1 3.69Å; I170-Y172 HydrophobicContact CG2-CE2 3.48Å; I170-Y172 VanDerWaalsContact CG2-CE2 3.48Å; I170-Y172 HydrophobicContact CG2-CG 4.32Å; I170-Y172 WeakPolarHBondContact O-CD2 3.44Å; I170-V181 CarbonylContact O-C 3.17Å; I170-V181 VanDerWaalsContact O-CA 3.32Å; I170-V181 WeakPolarHBondContact O-CA 3.45Å; I170-A182 PolarHBondContact N-O 2.85Å; I170-A182 PolarHBondContact O-N 3.36Å; I170-F200 HydrophobicContact CD1-CD2 3.64Å; I170-F200 HydrophobicContact CD1-CE2 3.58Å; I170-F200 HydrophobicContact CD1-CZ 4.48Å; I170-L206 HydrophobicContact CD1-CD1 3.97Å
171	L	77.7	Confident	74.9	Confident	52 Å²	52	72.6 Å²	72.6	27%	0.272	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.2	169.7	178.3	65.4	0	0	0	108.8	R157 T158 Y179 V181	R157-L171 HydrophobicContact CB-CB 4.42Å; R157-L171 HydrophobicContact CB-CD2 3.93Å; R157-L171 HydrophobicContact CB-CG 4.05Å; R157-L171 PolarHBondContact N-O 2.86Å; T158-L171 PolarHBondContact N-O 2.78Å; T158-L171 PolarHBondContact O-N 3.3Å; L171-Y179 HydrophobicContact CD1-CD1 4.15Å; L171-Y179 HydrophobicContact CD2-CD1 4.46Å; L171-Y179 HydrophobicContact CG-CD1 4.38Å; L171-V181 HydrophobicContact CD1-CG2 3.75Å
172	Y	69.2	Low	74.3	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	147.8	173.6	-62.1	-82	0	0	0	110	I154 F155 L156 I170 Y179 F180 A182 L199 I223	I154-Y172 HydrophobicContact CG2-CD1 3.37Å; I154-Y172 HydrophobicContact CG2-CE1 4.3Å; I154-Y172 HydrophobicContact CG2-CG 3.93Å; F155-Y172 CarbonylContact O-C 3.51Å; F155-Y172 WeakPolarHBondContact O-CA 3.29Å; L156-Y172 HydrophobicContact CD1-CD1 4.09Å; L156-Y172 HydrophobicContact CD1-CE1 3.64Å; L156-Y172 HydrophobicContact CG-CD1 4.1Å; L156-Y172 HydrophobicContact CG-CE1 3.77Å; I170-Y172 HydrophobicContact CB-CD2 4.29Å; I170-Y172 HydrophobicContact CB-CE2 3.56Å; I170-Y172 WeakPolarHBondContact CD1-OH 3.47Å; I170-Y172 HydrophobicContact CG2-CD1 4.14Å; I170-Y172 HydrophobicContact CG2-CD2 4Å; I170-Y172 HydrophobicContact CG2-CE1 3.69Å; I170-Y172 HydrophobicContact CG2-CE2 3.48Å; I170-Y172 VanDerWaalsContact CG2-CE2 3.48Å; I170-Y172 HydrophobicContact CG2-CG 4.32Å; I170-Y172 WeakPolarHBondContact O-CD2 3.44Å; Y172-Y179 VanDerWaalsContact O-CA 3.3Å; Y172-Y179 WeakPolarHBondContact O-CA 3.37Å; Y172-F180 VanDerWaalsContact CB-CZ 3.42Å; Y172-F180 WeakPolarHBondContact CB-O 2.76Å; Y172-F180 HydrophobicContact CD1-CZ 4.2Å; Y172-F180 AromaticContact CD2-CD2 3.85Å; Y172-F180 HydrophobicContact CD2-CD2 3.85Å; Y172-F180 HydrophobicContact CD2-CE1 4.24Å; Y172-F180 AromaticContact CD2-CE2 3.25Å; Y172-F180 HydrophobicContact CD2-CE2 3.25Å; Y172-F180 AromaticContact CD2-CZ 3.47Å; Y172-F180 HydrophobicContact CD2-CZ 3.47Å; Y172-F180 VanDerWaalsContact CD2-CZ 3.47Å; Y172-F180 AromaticContact CE2-CE2 3.9Å; Y172-F180 HydrophobicContact CE2-CE2 3.9Å; Y172-F180 HydrophobicContact CE2-CZ 4.24Å; Y172-F180 HydrophobicContact CG-CD2 4.42Å; Y172-F180 AromaticContact CG-CE1 3.88Å; Y172-F180 HydrophobicContact CG-CE1 3.88Å; Y172-F180 AromaticContact CG-CE2 3.75Å; Y172-F180 HydrophobicContact CG-CE2 3.75Å; Y172-F180 AromaticContact CG-CZ 3.43Å; Y172-F180 HydrophobicContact CG-CZ 3.43Å; Y172-F180 VanDerWaalsContact CG-CZ 3.43Å; Y172-F180 PolarHBondContact N-O 2.91Å; Y172-F180 PolarHBondContact O-N 2.88Å; Y172-A182 HydrophobicContact CD2-CB 4.15Å; Y172-A182 HydrophobicContact CE2-CB 3.57Å; Y172-L199 HydrophobicContact CD1-CD1 4.2Å; Y172-L199 HydrophobicContact CE1-CD1 3.53Å; Y172-I223 HydrophobicContact CE1-CD1 4.26Å
173	S	59.9	Low	73.9	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.8	163.2	85.1	0	0	0	0	110.1	I154 F155 R157 D178 Y179	I154-S173 CarbonylContact C-O 3.44Å; I154-S173 VanDerWaalsContact CA-O 3.3Å; I154-S173 WeakPolarHBondContact CA-O 3.01Å; F155-S173 WeakPolarHBondContact CD2-O 3.36Å; F155-S173 WeakPolarHBondContact CD2-OG 3.5Å; F155-S173 PolarHBondContact N-O 3.3Å; F155-S173 PolarHBondContact O-N 3.46Å; R157-S173 PolarHBondContact NE-OG 2.65Å; R157-S173 PolarHBondContact NH2-OG 2.85Å; R157-S173 VanDerWaalsContact NH2-OG 3.16Å; S173-D178 CarbonylContact C-O 3.45Å; S173-D178 WeakPolarHBondContact CA-O 3.48Å; S173-Y179 VanDerWaalsContact CB-CD1 3.47Å; S173-Y179 VanDerWaalsContact CB-CE1 3.44Å
174	D	54.1	Low	73.6	Confident	46 Å²	46	61.4 Å²	61.4	25%	0.246	31%	0.308	C	S	.	.			trans	-93.7	-167.2	160.1	68.1	15.9	0	0	0	111.2	G153 F155 E176 G177 D178	G153-D174 WeakPolarHBondContact O-CA 3.05Å; F155-D174 WeakPolarHBondContact CD2-O 3.47Å; F155-D174 WeakPolarHBondContact CE2-O 3.34Å; D174-E176 WeakPolarHBondContact OD1-CA 3.43Å; D174-E176 PolarHBondContact OD1-N 3.33Å; D174-G177 PolarHBondContact OD1-N 2.04Å; D174-D178 PolarHBondContact N-O 3.15Å; D174-D178 PolarHBondContact OD1-N 2.85Å
175	F	49.6	Very low	73.5	Confident	106 Å²	106	62.2 Å²	62.2	47%	0.465	31%	0.307	S	S	.	.	S	Bend	trans	-78.6	-23.3	176.5	-71.1	-76.6	0	0	0	114	I150 F155	I150-F175 HydrophobicContact CD1-CE1 4.44Å; I150-F175 HydrophobicContact CD1-CE2 4.41Å; I150-F175 HydrophobicContact CD1-CZ 3.6Å; F155-F175 HydrophobicContact CE1-CE1 4.24Å; F155-F175 AromaticContact CE2-CD1 3.55Å; F155-F175 HydrophobicContact CE2-CD1 3.55Å; F155-F175 HydrophobicContact CE2-CD2 4.41Å; F155-F175 AromaticContact CE2-CE1 3.8Å; F155-F175 HydrophobicContact CE2-CE1 3.8Å; F155-F175 AromaticContact CE2-CG 3.88Å; F155-F175 HydrophobicContact CE2-CG 3.88Å; F155-F175 HydrophobicContact CE2-CZ 4.34Å; F155-F175 AromaticContact CZ-CD1 3.37Å; F155-F175 HydrophobicContact CZ-CD1 3.37Å; F155-F175 AromaticContact CZ-CE1 3.27Å; F155-F175 HydrophobicContact CZ-CE1 3.27Å; F155-F175 HydrophobicContact CZ-CG 4.17Å; F155-F175 HydrophobicContact CZ-CZ 4.02Å
176	E	45.6	Very low	73.5	Confident	140 Å²	140	58.5 Å²	58.5	65%	0.654	29%	0.29	S	S	*	.	S	Bend	trans	-79.2	-13.1	177.5	-58.9	-167.3	170.8	0	0	111	D174	D174-E176 WeakPolarHBondContact OD1-CA 3.43Å; D174-E176 PolarHBondContact OD1-N 3.33Å
177	G	51.8	Low	73.4	Confident	27 Å²	27	58.7 Å²	58.7	28%	0.278	29%	0.291	S	S	.	.			trans	89.6	16.8	-178	0	0	0	0	0	112.2	D174 Y179	D174-G177 PolarHBondContact OD1-N 2.04Å; G177-Y179 WeakPolarHBondContact O-CD2 3.06Å; G177-Y179 WeakPolarHBondContact O-CE2 3.38Å
178	D	57.9	Low	73.3	Confident	107 Å²	107	62.5 Å²	62.5	57%	0.572	31%	0.313	S	S	*	.			trans	-74.6	137.7	167.8	-77.9	-22.3	0	0	0	109.4	S173 D174	S173-D178 CarbonylContact C-O 3.45Å; S173-D178 WeakPolarHBondContact CA-O 3.48Å; D174-D178 PolarHBondContact N-O 3.15Å; D174-D178 PolarHBondContact OD1-N 2.85Å
179	Y	72	Confident	73.1	Confident	148 Å²	148	68.3 Å²	68.3	58%	0.58	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.1	-175	-61.2	-85.5	0	0	0	111.4	R157 L171 Y172 S173 G177	R157-Y179 HydrophobicContact CG-CE1 4.39Å; L171-Y179 HydrophobicContact CD1-CD1 4.15Å; L171-Y179 HydrophobicContact CD2-CD1 4.46Å; L171-Y179 HydrophobicContact CG-CD1 4.38Å; Y172-Y179 VanDerWaalsContact O-CA 3.3Å; Y172-Y179 WeakPolarHBondContact O-CA 3.37Å; S173-Y179 VanDerWaalsContact CB-CD1 3.47Å; S173-Y179 VanDerWaalsContact CB-CE1 3.44Å; G177-Y179 WeakPolarHBondContact O-CD2 3.06Å; G177-Y179 WeakPolarHBondContact O-CE2 3.38Å
180	F	70.7	Confident	73	Confident	88 Å²	88	73.1 Å²	73.1	39%	0.386	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.4	165.5	76.7	-88.5	0	0	0	111	I154 Y172 A182	I154-F180 HydrophobicContact CD1-CE1 4.03Å; I154-F180 HydrophobicContact CD1-CZ 4.22Å; I154-F180 HydrophobicContact CG1-CE1 4.48Å; I154-F180 HydrophobicContact CG2-CE1 4.37Å; Y172-F180 VanDerWaalsContact CB-CZ 3.42Å; Y172-F180 WeakPolarHBondContact CB-O 2.76Å; Y172-F180 HydrophobicContact CD1-CZ 4.2Å; Y172-F180 AromaticContact CD2-CD2 3.85Å; Y172-F180 HydrophobicContact CD2-CD2 3.85Å; Y172-F180 HydrophobicContact CD2-CE1 4.24Å; Y172-F180 AromaticContact CD2-CE2 3.25Å; Y172-F180 HydrophobicContact CD2-CE2 3.25Å; Y172-F180 AromaticContact CD2-CZ 3.47Å; Y172-F180 HydrophobicContact CD2-CZ 3.47Å; Y172-F180 VanDerWaalsContact CD2-CZ 3.47Å; Y172-F180 AromaticContact CE2-CE2 3.9Å; Y172-F180 HydrophobicContact CE2-CE2 3.9Å; Y172-F180 HydrophobicContact CE2-CZ 4.24Å; Y172-F180 HydrophobicContact CG-CD2 4.42Å; Y172-F180 AromaticContact CG-CE1 3.88Å; Y172-F180 HydrophobicContact CG-CE1 3.88Å; Y172-F180 AromaticContact CG-CE2 3.75Å; Y172-F180 HydrophobicContact CG-CE2 3.75Å; Y172-F180 AromaticContact CG-CZ 3.43Å; Y172-F180 HydrophobicContact CG-CZ 3.43Å; Y172-F180 VanDerWaalsContact CG-CZ 3.43Å; Y172-F180 PolarHBondContact N-O 2.91Å; Y172-F180 PolarHBondContact O-N 2.88Å; F180-A182 HydrophobicContact CE2-CB 4.19Å
181	V	78.4	Confident	72.9	Confident	94 Å²	94	75.2 Å²	75.2	57%	0.57	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.3	175.1	179.4	0	0	0	0	108.7	N169 I170 L171	N169-V181 HydrophobicContact CB-CG1 4.5Å; I170-V181 CarbonylContact O-C 3.17Å; I170-V181 VanDerWaalsContact O-CA 3.32Å; I170-V181 WeakPolarHBondContact O-CA 3.45Å; L171-V181 HydrophobicContact CD1-CG2 3.75Å
182	A	76.9	Confident	73	Confident	13 Å²	13	76.9 Å²	76.9	11%	0.107	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.3	169	0	0	0	0	0	111.6	I170 Y172 F180 A197	I170-A182 PolarHBondContact N-O 2.85Å; I170-A182 PolarHBondContact O-N 3.36Å; Y172-A182 HydrophobicContact CD2-CB 4.15Å; Y172-A182 HydrophobicContact CE2-CB 3.57Å; F180-A182 HydrophobicContact CE2-CB 4.19Å; A182-A197 HydrophobicContact CB-CB 3.84Å
183	S	83.1	Confident	72.5	Confident	43 Å²	43	78.1 Å²	78.1	30%	0.301	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.9	178.3	-55.5	0	0	0	0	110.4	E167 Y168 N169 A193	E167-S183 WeakPolarHBondContact OE1-CB 3.42Å; Y168-S183 CarbonylContact O-C 3.58Å; Y168-S183 WeakPolarHBondContact O-CA 3.3Å; N169-S183 WeakPolarHBondContact OD1-CB 3.48Å; N169-S183 PolarHBondContact OD1-OG 2.91Å; S183-A193 VanDerWaalsContact O-CB 3.22Å; S183-A193 WeakPolarHBondContact O-CB 3.48Å
184	H	83.9	Confident	72.1	Confident	4 Å²	4	82.6 Å²	82.6	2%	0.019	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	101.9	171.8	-64.5	-100.4	0	0	0	109.1	E167 Y168 I191 A197 L206	E167-H184 WeakPolarHBondContact CA-O 2.98Å; Y168-H184 PolarHBondContact N-O 2.79Å; Y168-H184 PolarHBondContact O-N 2.69Å; H184-I191 HydrophobicContact CB-CG2 4.35Å; H184-A197 WeakPolarHBondContact CE1-CB 3.37Å; H184-A197 WeakPolarHBondContact NE2-CB 3.31Å; H184-L206 HydrophobicContact CB-CD2 3.98Å
185	K	88.1	Confident	71.7	Confident	112 Å²	112	90 Å²	90	49%	0.487	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139	175.9	-58.1	-176.9	177.7	-175.6	0	111.1	K166 E167 I191 V192 A193	K166-K185 CarbonylContact O-C 3.55Å; K166-K185 WeakPolarHBondContact O-CA 2.82Å; E167-K185 HydrophobicContact CG-CG 4.49Å; K185-I191 CarbonylContact O-C 3.58Å; K185-I191 WeakPolarHBondContact O-CA 3.41Å; K185-V192 HydrophobicContact CB-CG2 4.12Å; K185-V192 WeakPolarHBondContact O-CG2 3.33Å; K185-V192 PolarHBondContact O-N 3.16Å; K185-A193 HydrophobicContact CB-CB 3.87Å; K185-A193 HydrophobicContact CD-CB 4.47Å; K185-A193 HydrophobicContact CG-CB 3.93Å
186	I	87.8	Confident	71.2	Confident	16 Å²	16	91 Å²	91	8%	0.082	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.7	-177.7	-47.3	-49.9	0	0	0	109.2	K166 Y168 K190 I191 L203 L206	K166-I186 PolarHBondContact O-N 2.92Å; Y168-I186 HydrophobicContact CD2-CD1 4.44Å; Y168-I186 HydrophobicContact CD2-CG1 4.2Å; Y168-I186 HydrophobicContact CE2-CG1 4.19Å; I186-K190 CarbonylContact C-O 3.6Å; I186-K190 WeakPolarHBondContact CA-O 3.5Å; I186-I191 HydrophobicContact CD1-CB 4.5Å; I186-I191 HydrophobicContact CD1-CG1 3.72Å; I186-L203 HydrophobicContact CD1-CD1 3.51Å; I186-L203 HydrophobicContact CG1-CD1 4.04Å; I186-L203 HydrophobicContact CG2-CD1 4.32Å; I186-L203 HydrophobicContact CG2-CD2 3.91Å; I186-L206 HydrophobicContact CD1-CD2 4.49Å
187	K	88.1	Confident	71.3	Confident	133 Å²	133	85 Å²	85	58%	0.578	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.2	171.8	-176.7	-176.7	174.8	-177.6	0	108.5	E189 K190 V192	K187-E189 VanDerWaalsContact C-N 3.26Å; K187-E189 PolarHBondContact O-N 3.2Å; K187-K190 PolarHBondContact N-O 2.93Å; K187-K190 PolarHBondContact O-N 3.42Å; K187-K190 VanDerWaalsContact O-O 3.09Å; K187-V192 HydrophobicContact CB-CB 4.43Å; K187-V192 HydrophobicContact CB-CG1 3.83Å; K187-V192 HydrophobicContact CB-CG2 3.73Å
188	D	87.4	Confident	71.1	Confident	134 Å²	134	87.8 Å²	87.8	72%	0.717	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	44.9	179.9	-50.3	-38.5	0	0	0	112.7	K190	D188-K190 PolarHBondContact O-N 3.12Å
189	E	84.2	Confident	71.2	Confident	123 Å²	123	83.6 Å²	83.6	58%	0.575	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	25.9	-176.4	-64.2	-64.3	118.4	0	0	114.7	K187 L203 R207	K187-E189 VanDerWaalsContact C-N 3.26Å; K187-E189 PolarHBondContact O-N 3.2Å; E189-L203 VanDerWaalsContact C-CD2 3.43Å; E189-L203 HydrophobicContact CB-CD2 4.32Å; E189-L203 WeakPolarHBondContact O-CD2 3.47Å; E189-R207 IonicContact OE1-NH2 2.73Å; E189-R207 PolarHBondContact OE1-NH2 3.25Å; E189-R207 VanDerWaalsContact OE1-NH2 3.13Å; E189-R207 IonicContact OE2-CZ 2.74Å; E189-R207 VanDerWaalsContact OE2-CZ 3.23Å; E189-R207 IonicContact OE2-NH1 3.79Å; E189-R207 PolarHBondContact OE2-NH1 2.85Å; E189-R207 IonicContact OE2-NH2 3.13Å; E189-R207 PolarHBondContact OE2-NH2 3.2Å
190	K	83.8	Confident	70.9	Confident	150 Å²	150	76.6 Å²	76.6	65%	0.652	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.6	176.5	-65.4	177.9	-176.9	177.2	0	111.4	I186 K187 D188	I186-K190 CarbonylContact C-O 3.6Å; I186-K190 WeakPolarHBondContact CA-O 3.5Å; K187-K190 PolarHBondContact N-O 2.93Å; K187-K190 PolarHBondContact O-N 3.42Å; K187-K190 VanDerWaalsContact O-O 3.09Å; D188-K190 PolarHBondContact O-N 3.12Å
191	I	80.8	Confident	70.6	Confident	44 Å²	44	78.2 Å²	78.2	23%	0.226	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	124.5	171.6	-59	175	0	0	0	108	H184 K185 I186 F200 L203 L206	H184-I191 HydrophobicContact CB-CG2 4.35Å; K185-I191 CarbonylContact O-C 3.58Å; K185-I191 WeakPolarHBondContact O-CA 3.41Å; I186-I191 HydrophobicContact CD1-CB 4.5Å; I186-I191 HydrophobicContact CD1-CG1 3.72Å; I191-F200 HydrophobicContact CD1-CB 4.44Å; I191-F200 WeakPolarHBondContact CD1-O 3.48Å; I191-L203 HydrophobicContact CG1-CB 4.35Å; I191-L206 HydrophobicContact CD1-CD2 4.17Å
192	V	79.5	Confident	70.4	Confident	86 Å²	86	77.6 Å²	77.6	52%	0.521	41%	0.408	S	S	.	.			trans	-118.7	-5.8	-174.7	-66.2	0	0	0	0	114.8	K185 K187	K185-V192 HydrophobicContact CB-CG2 4.12Å; K185-V192 WeakPolarHBondContact O-CG2 3.33Å; K185-V192 PolarHBondContact O-N 3.16Å; K187-V192 HydrophobicContact CB-CB 4.43Å; K187-V192 HydrophobicContact CB-CG1 3.83Å; K187-V192 HydrophobicContact CB-CG2 3.73Å
193	A	60.1	Low	70.6	Confident	26 Å²	26	77.7 Å²	77.7	22%	0.215	41%	0.406	C	S	.	.	S	Bend	trans	-86.7	162.8	-177.8	0	0	0	0	0	112.9	S183 K185	S183-A193 VanDerWaalsContact O-CB 3.22Å; S183-A193 WeakPolarHBondContact O-CB 3.48Å; K185-A193 HydrophobicContact CB-CB 3.87Å; K185-A193 HydrophobicContact CD-CB 4.47Å; K185-A193 HydrophobicContact CG-CB 3.93Å
194	P	49.9	Very low	70.6	Confident	95 Å²	95	79.6 Å²	79.6	62%	0.617	42%	0.416	S	S	*	.			trans	-69.9	149	-147.9	31	-34.2	0	0	0	112.2	V196 A197	P194-V196 HydrophobicContact CB-CG2 4.23Å; P194-V196 HydrophobicContact CG-CG2 4.3Å; P194-V196 PolarHBondContact O-N 3.4Å; P194-A197 PolarHBondContact O-N 3.3Å
195	K	45.8	Very low	70.4	Confident	201 Å²	201	81.5 Å²	81.5	87%	0.874	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-3.4	-179.2	-65.6	179	176.6	179.8	0	116.8	A197 V198	K195-A197 VanDerWaalsContact C-N 3.3Å; K195-V198 VanDerWaalsContact O-CG2 3.23Å; K195-V198 WeakPolarHBondContact O-CG2 3.5Å
196	V	39.3	Very low	70.2	Confident	127 Å²	127	76.2 Å²	76.2	77%	0.77	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.1	-179.8	-157.4	0	0	0	0	111.7	P194 V198	P194-V196 HydrophobicContact CB-CG2 4.23Å; P194-V196 HydrophobicContact CG-CG2 4.3Å; P194-V196 PolarHBondContact O-N 3.4Å; V196-V198 PolarHBondContact O-N 3.27Å
197	A	47.4	Very low	70.2	Confident	14 Å²	14	78.5 Å²	78.5	12%	0.116	41%	0.413	C	S	.	.			trans	-100.4	66.6	174.6	0	0	0	0	0	111.5	A182 H184 P194 K195 L199	A182-A197 HydrophobicContact CB-CB 3.84Å; H184-A197 WeakPolarHBondContact CE1-CB 3.37Å; H184-A197 WeakPolarHBondContact NE2-CB 3.31Å; P194-A197 PolarHBondContact O-N 3.3Å; K195-A197 VanDerWaalsContact C-N 3.3Å; A197-L199 PolarHBondContact O-N 3.05Å
198	V	47.2	Very low	70.1	Confident	86 Å²	86	76 Å²	76	52%	0.521	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-12.6	179.3	-176.2	0	0	0	0	113.1	K195 V196 N201	K195-V198 VanDerWaalsContact O-CG2 3.23Å; K195-V198 WeakPolarHBondContact O-CG2 3.5Å; V196-V198 PolarHBondContact O-N 3.27Å; V198-N201 PolarHBondContact O-ND2 2.69Å; V198-N201 PolarHBondContact O-OD1 3.39Å
199	L	60	Low	69.9	Low	18 Å²	18	69.6 Å²	69.6	9%	0.094	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-45.3	-166.3	-58.6	164.6	0	0	0	111.7	I151 Y172 A197 I223 Y233	I151-L199 HydrophobicContact CB-CD2 4.08Å; I151-L199 HydrophobicContact CD1-CD2 3.89Å; I151-L199 HydrophobicContact CG2-CD2 3.73Å; Y172-L199 HydrophobicContact CD1-CD1 4.2Å; Y172-L199 HydrophobicContact CE1-CD1 3.53Å; A197-L199 PolarHBondContact O-N 3.05Å; L199-I223 HydrophobicContact CB-CD1 4.11Å; L199-I223 HydrophobicContact CD1-CD1 3.43Å; L199-I223 VanDerWaalsContact CD1-CD1 3.43Å; L199-I223 HydrophobicContact CD2-CD1 3.75Å; L199-I223 HydrophobicContact CD2-CG2 4.27Å; L199-I223 HydrophobicContact CG-CD1 3.92Å; L199-Y233 PolarHBondContact O-OH 3.23Å
200	F	65.8	Low	70	Confident	2 Å²	2	65 Å²	65	1%	0.009	35%	0.35	C	S	.	.			trans	-106.7	85.1	173	-64.8	-88.2	0	0	0	110.7	L156 M159 I170 I191 N202 L206 V209 Y233	L156-F200 HydrophobicContact CD2-CE2 3.83Å; L156-F200 HydrophobicContact CD2-CZ 3.94Å; M159-F200 HydrophobicContact CE-CE1 4.46Å; M159-F200 HydrophobicContact CE-CE2 4.07Å; M159-F200 HydrophobicContact CE-CZ 3.73Å; I170-F200 HydrophobicContact CD1-CD2 3.64Å; I170-F200 HydrophobicContact CD1-CE2 3.58Å; I170-F200 HydrophobicContact CD1-CZ 4.48Å; I191-F200 HydrophobicContact CD1-CB 4.44Å; I191-F200 WeakPolarHBondContact CD1-O 3.48Å; F200-N202 VanDerWaalsContact C-N 3.32Å; F200-L206 HydrophobicContact CB-CB 4.17Å; F200-L206 HydrophobicContact CB-CD1 4.25Å; F200-L206 VanDerWaalsContact CD1-CA 3.43Å; F200-L206 HydrophobicContact CD1-CB 3.66Å; F200-L206 HydrophobicContact CD1-CD1 3.71Å; F200-L206 HydrophobicContact CD1-CG 4.29Å; F200-L206 HydrophobicContact CD2-CD1 4.05Å; F200-L206 HydrophobicContact CE1-CB 4.36Å; F200-L206 HydrophobicContact CE1-CD1 3.97Å; F200-L206 HydrophobicContact CE2-CD1 4.33Å; F200-L206 HydrophobicContact CG-CB 4.13Å; F200-L206 HydrophobicContact CG-CD1 3.74Å; F200-L206 HydrophobicContact CG-CG 4.46Å; F200-L206 HydrophobicContact CZ-CD1 4.27Å; F200-V209 HydrophobicContact CE1-CB 4Å; F200-V209 HydrophobicContact CE1-CG1 4.24Å; F200-V209 HydrophobicContact CE1-CG2 4.03Å; F200-V209 HydrophobicContact CZ-CB 4.41Å; F200-V209 HydrophobicContact CZ-CG1 4.15Å; F200-Y233 HydrophobicContact CD1-CE1 4.41Å; F200-Y233 HydrophobicContact CD1-CE2 4.31Å; F200-Y233 AromaticContact CD1-CZ 3.74Å; F200-Y233 WeakPolarHBondContact CD1-OH 3.49Å; F200-Y233 HydrophobicContact CE1-CD1 4.37Å; F200-Y233 AromaticContact CE1-CE1 3.59Å; F200-Y233 HydrophobicContact CE1-CE1 3.59Å; F200-Y233 AromaticContact CE1-CE2 3.78Å; F200-Y233 HydrophobicContact CE1-CE2 3.78Å; F200-Y233 AromaticContact CE1-CZ 3.23Å; F200-Y233 WeakPolarHBondContact CE1-OH 3.45Å; F200-Y233 AromaticContact CE2-CE1 3.71Å; F200-Y233 HydrophobicContact CE2-CE1 3.71Å; F200-Y233 AromaticContact CE2-CZ 3.96Å; F200-Y233 WeakPolarHBondContact CG-OH 3.41Å; F200-Y233 AromaticContact CZ-CD1 3.93Å; F200-Y233 HydrophobicContact CZ-CD1 3.93Å; F200-Y233 AromaticContact CZ-CE1 3.16Å; F200-Y233 HydrophobicContact CZ-CE1 3.16Å; F200-Y233 HydrophobicContact CZ-CE2 4.25Å; F200-Y233 AromaticContact CZ-CZ 3.36Å; F200-Y233 WeakPolarHBondContact CZ-OH 3.4Å
201	N	65.9	Low	70.2	Confident	121 Å²	121	62.1 Å²	62.1	65%	0.647	34%	0.341	S	S	*	.			trans	-85.1	-10.2	172.6	-62	-35	0	0	0	112.6	V198	V198-N201 PolarHBondContact O-ND2 2.69Å; V198-N201 PolarHBondContact O-OD1 3.39Å
202	N	73.7	Confident	70.3	Confident	81 Å²	81	61.3 Å²	61.3	43%	0.433	34%	0.341	S	S	.	.			trans	-120.5	120.9	-176.2	-176.2	-36.8	0	0	0	110.2	F200 T204 T205 L206	F200-N202 VanDerWaalsContact C-N 3.32Å; N202-T204 VanDerWaalsContact C-N 3.33Å; N202-T204 PolarHBondContact O-N 3.09Å; N202-T204 WeakPolarHBondContact OD1-CA 3.27Å; N202-T204 WeakPolarHBondContact OD1-CB 3.19Å; N202-T204 PolarHBondContact OD1-N 2.92Å; N202-T205 PolarHBondContact O-N 3.09Å; N202-T205 PolarHBondContact OD1-N 3.27Å; N202-L206 PolarHBondContact O-N 3.41Å
203	L	81.1	Confident	70.2	Confident	15 Å²	15	57.7 Å²	57.7	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-39.3	179.2	178.8	56.8	0	0	0	112.7	I186 E189 I191 L206 R207	I186-L203 HydrophobicContact CD1-CD1 3.51Å; I186-L203 HydrophobicContact CG1-CD1 4.04Å; I186-L203 HydrophobicContact CG2-CD1 4.32Å; I186-L203 HydrophobicContact CG2-CD2 3.91Å; E189-L203 VanDerWaalsContact C-CD2 3.43Å; E189-L203 HydrophobicContact CB-CD2 4.32Å; E189-L203 WeakPolarHBondContact O-CD2 3.47Å; I191-L203 HydrophobicContact CG1-CB 4.35Å; L203-L206 HydrophobicContact CD1-CD2 4.49Å; L203-L206 PolarHBondContact O-N 2.69Å; L203-R207 HydrophobicContact CD1-CG 4.17Å; L203-R207 WeakPolarHBondContact O-CB 3.43Å; L203-R207 WeakPolarHBondContact O-CG 3.42Å; L203-R207 PolarHBondContact O-N 2.58Å
204	T	82.6	Confident	71	Confident	83 Å²	83	59.7 Å²	59.7	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-45.3	177.6	-54.2	0	0	0	0	110.5	N202 R207 N208	N202-T204 VanDerWaalsContact C-N 3.33Å; N202-T204 PolarHBondContact O-N 3.09Å; N202-T204 WeakPolarHBondContact OD1-CA 3.27Å; N202-T204 WeakPolarHBondContact OD1-CB 3.19Å; N202-T204 PolarHBondContact OD1-N 2.92Å; T204-R207 PolarHBondContact O-N 2.89Å; T204-N208 WeakPolarHBondContact O-CB 3.3Å; T204-N208 PolarHBondContact O-N 3.03Å; T204-N208 PolarHBondContact O-ND2 3.47Å; T204-N208 PolarHBondContact O-OD1 3.02Å
205	T	80.8	Confident	72	Confident	45 Å²	45	59.9 Å²	59.9	28%	0.276	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-45.8	176.1	-54.5	0	0	0	0	111.5	N202 R207 N208 V209 Y233	N202-T205 PolarHBondContact O-N 3.09Å; N202-T205 PolarHBondContact OD1-N 3.27Å; T205-R207 PolarHBondContact O-N 2.81Å; T205-N208 PolarHBondContact O-N 3.28Å; T205-V209 HydrophobicContact CG2-CG2 4.4Å; T205-V209 WeakPolarHBondContact O-CG2 3.11Å; T205-V209 PolarHBondContact O-N 2.7Å; T205-Y233 HydrophobicContact CG2-CD2 4.24Å; T205-Y233 HydrophobicContact CG2-CE2 3.61Å
206	L	83.1	Confident	73	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57	-49.6	176.6	176.8	61.8	0	0	0	112.1	M159 Y168 I170 H184 I186 I191 F200 N202 L203 N208 V209 F210	M159-L206 HydrophobicContact CE-CD1 4.03Å; M159-L206 HydrophobicContact SD-CD1 3.85Å; Y168-L206 HydrophobicContact CD1-CD1 4.28Å; Y168-L206 HydrophobicContact CD1-CD2 4.35Å; Y168-L206 HydrophobicContact CD1-CG 4.18Å; Y168-L206 HydrophobicContact CD2-CD2 3.78Å; Y168-L206 HydrophobicContact CD2-CG 4.43Å; Y168-L206 HydrophobicContact CE1-CG 4.49Å; Y168-L206 HydrophobicContact CE2-CD2 4.33Å; Y168-L206 HydrophobicContact CG-CD1 4.35Å; Y168-L206 HydrophobicContact CG-CD2 3.81Å; Y168-L206 HydrophobicContact CG-CG 4.15Å; I170-L206 HydrophobicContact CD1-CD1 3.97Å; H184-L206 HydrophobicContact CB-CD2 3.98Å; I186-L206 HydrophobicContact CD1-CD2 4.49Å; I191-L206 HydrophobicContact CD1-CD2 4.17Å; F200-L206 HydrophobicContact CB-CB 4.17Å; F200-L206 HydrophobicContact CB-CD1 4.25Å; F200-L206 VanDerWaalsContact CD1-CA 3.43Å; F200-L206 HydrophobicContact CD1-CB 3.66Å; F200-L206 HydrophobicContact CD1-CD1 3.71Å; F200-L206 HydrophobicContact CD1-CG 4.29Å; F200-L206 HydrophobicContact CD2-CD1 4.05Å; F200-L206 HydrophobicContact CE1-CB 4.36Å; F200-L206 HydrophobicContact CE1-CD1 3.97Å; F200-L206 HydrophobicContact CE2-CD1 4.33Å; F200-L206 HydrophobicContact CG-CB 4.13Å; F200-L206 HydrophobicContact CG-CD1 3.74Å; F200-L206 HydrophobicContact CG-CG 4.46Å; F200-L206 HydrophobicContact CZ-CD1 4.27Å; N202-L206 PolarHBondContact O-N 3.41Å; L203-L206 HydrophobicContact CD1-CD2 4.49Å; L203-L206 PolarHBondContact O-N 2.69Å; L206-N208 PolarHBondContact O-N 3.47Å; L206-V209 PolarHBondContact O-N 2.7Å; L206-F210 WeakPolarHBondContact O-CB 3.5Å; L206-F210 PolarHBondContact O-N 3.06Å
207	R	87	Confident	74.1	Confident	65 Å²	65	59.3 Å²	59.3	25%	0.245	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-42.9	178.4	-76.2	176.4	172.7	162.6	-0.5	111.9	E189 L203 T204 T205 F210 N211	E189-R207 IonicContact OE1-NH2 2.73Å; E189-R207 PolarHBondContact OE1-NH2 3.25Å; E189-R207 VanDerWaalsContact OE1-NH2 3.13Å; E189-R207 IonicContact OE2-CZ 2.74Å; E189-R207 VanDerWaalsContact OE2-CZ 3.23Å; E189-R207 IonicContact OE2-NH1 3.79Å; E189-R207 PolarHBondContact OE2-NH1 2.85Å; E189-R207 IonicContact OE2-NH2 3.13Å; E189-R207 PolarHBondContact OE2-NH2 3.2Å; L203-R207 HydrophobicContact CD1-CG 4.17Å; L203-R207 WeakPolarHBondContact O-CB 3.43Å; L203-R207 WeakPolarHBondContact O-CG 3.42Å; L203-R207 PolarHBondContact O-N 2.58Å; T204-R207 PolarHBondContact O-N 2.89Å; T205-R207 PolarHBondContact O-N 2.81Å; R207-F210 PolarHBondContact O-N 3.19Å; R207-N211 WeakPolarHBondContact O-CB 2.95Å; R207-N211 PolarHBondContact O-N 3.28Å; R207-N211 PolarHBondContact O-ND2 2.83Å
208	N	86.9	Confident	74.7	Confident	80 Å²	80	60.7 Å²	60.7	43%	0.428	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-45.1	179.9	-71.9	-9.9	0	0	0	111.4	T204 T205 L206 N211 A212 V242	T204-N208 WeakPolarHBondContact O-CB 3.3Å; T204-N208 PolarHBondContact O-N 3.03Å; T204-N208 PolarHBondContact O-ND2 3.47Å; T204-N208 PolarHBondContact O-OD1 3.02Å; T205-N208 PolarHBondContact O-N 3.28Å; L206-N208 PolarHBondContact O-N 3.47Å; N208-N211 PolarHBondContact O-N 2.87Å; N208-A212 VanDerWaalsContact O-CB 3.24Å; N208-A212 WeakPolarHBondContact O-CB 3.41Å; N208-A212 PolarHBondContact O-N 3.35Å; N208-V242 VanDerWaalsContact C-CG1 3.41Å; N208-V242 HydrophobicContact CB-CG1 3.8Å; N208-V242 WeakPolarHBondContact O-CG1 3.15Å
209	V	84.1	Confident	75.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-46.5	177.8	171.9	0	0	0	0	110.2	M159 F200 T205 L206 N211 A212 W213 L221 Y233 V242	M159-V209 HydrophobicContact CE-CG1 4.21Å; F200-V209 HydrophobicContact CE1-CB 4Å; F200-V209 HydrophobicContact CE1-CG1 4.24Å; F200-V209 HydrophobicContact CE1-CG2 4.03Å; F200-V209 HydrophobicContact CZ-CB 4.41Å; F200-V209 HydrophobicContact CZ-CG1 4.15Å; T205-V209 HydrophobicContact CG2-CG2 4.4Å; T205-V209 WeakPolarHBondContact O-CG2 3.11Å; T205-V209 PolarHBondContact O-N 2.7Å; L206-V209 PolarHBondContact O-N 2.7Å; V209-N211 PolarHBondContact O-N 3.43Å; V209-A212 PolarHBondContact O-N 3.34Å; V209-W213 WeakPolarHBondContact O-CB 3.45Å; V209-W213 PolarHBondContact O-N 3.47Å; V209-L221 HydrophobicContact CG1-CD2 3.76Å; V209-Y233 HydrophobicContact CG1-CD1 4.49Å; V209-Y233 HydrophobicContact CG1-CG 4.38Å; V209-Y233 HydrophobicContact CG2-CD1 4.45Å; V209-Y233 HydrophobicContact CG2-CD2 3.5Å; V209-Y233 HydrophobicContact CG2-CE2 4.02Å; V209-Y233 HydrophobicContact CG2-CG 3.73Å; V209-V242 HydrophobicContact CB-CG1 4.36Å; V209-V242 HydrophobicContact CG2-CB 4.43Å; V209-V242 HydrophobicContact CG2-CG1 3.79Å; V209-V242 HydrophobicContact CG2-CG2 3.7Å
210	F	86.1	Confident	75.9	Confident	25 Å²	25	58.4 Å²	58.4	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-55.4	-52.3	176.1	-179.3	-100.3	0	0	0	112.2	M159 R161 Y168 L206 R207 A212 I214	M159-F210 HydrophobicContact CB-CD2 4.29Å; M159-F210 HydrophobicContact CG-CD2 3.65Å; M159-F210 HydrophobicContact CG-CE2 4.3Å; M159-F210 HydrophobicContact SD-CB 3.64Å; M159-F210 HydrophobicContact SD-CD2 3.63Å; M159-F210 HydrophobicContact SD-CG 4.11Å; R161-F210 HydrophobicContact CB-CE1 4.13Å; R161-F210 HydrophobicContact CB-CE2 3.91Å; R161-F210 HydrophobicContact CB-CZ 3.62Å; Y168-F210 HydrophobicContact CD1-CD2 4.26Å; Y168-F210 HydrophobicContact CD1-CG 4.37Å; Y168-F210 HydrophobicContact CE1-CB 4.08Å; Y168-F210 HydrophobicContact CE1-CD1 4.2Å; Y168-F210 HydrophobicContact CE1-CD2 4.18Å; Y168-F210 AromaticContact CE1-CG 3.88Å; Y168-F210 HydrophobicContact CE1-CG 3.88Å; L206-F210 WeakPolarHBondContact O-CB 3.5Å; L206-F210 PolarHBondContact O-N 3.06Å; R207-F210 PolarHBondContact O-N 3.19Å; F210-A212 VanDerWaalsContact C-N 3.35Å; F210-A212 PolarHBondContact O-N 3.31Å; F210-I214 HydrophobicContact CD2-CD1 4.47Å; F210-I214 HydrophobicContact CD2-CG1 3.67Å; F210-I214 HydrophobicContact CE2-CD1 4.31Å; F210-I214 HydrophobicContact CE2-CG1 3.65Å; F210-I214 HydrophobicContact CG-CG1 4.32Å; F210-I214 HydrophobicContact CZ-CG1 4.25Å; F210-I214 WeakPolarHBondContact O-CB 3.46Å; F210-I214 WeakPolarHBondContact O-CG1 3.12Å; F210-I214 PolarHBondContact O-N 2.72Å; F210-I214 VanDerWaalsContact O-N 3.14Å
211	N	86.7	Confident	75.9	Confident	90 Å²	90	58.3 Å²	58.3	48%	0.481	32%	0.318	S	S	.	.	H	α-helix	trans	-67.2	-33.8	-176.8	-70.5	-23.2	0	0	0	112.8	R207 N208 V209 P215	R207-N211 WeakPolarHBondContact O-CB 2.95Å; R207-N211 PolarHBondContact O-N 3.28Å; R207-N211 PolarHBondContact O-ND2 2.83Å; N208-N211 PolarHBondContact O-N 2.87Å; V209-N211 PolarHBondContact O-N 3.43Å; N211-P215 WeakPolarHBondContact O-CD 3.27Å; N211-P215 VanDerWaalsContact O-CG 3.27Å; N211-P215 WeakPolarHBondContact O-CG 3.49Å
212	A	82.6	Confident	75.7	Confident	27 Å²	27	53.2 Å²	53.2	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-82.7	-30.5	-178.5	0	0	0	0	0	113.1	N208 V209 F210 K216 V241 V242	N208-A212 VanDerWaalsContact O-CB 3.24Å; N208-A212 WeakPolarHBondContact O-CB 3.41Å; N208-A212 PolarHBondContact O-N 3.35Å; V209-A212 PolarHBondContact O-N 3.34Å; F210-A212 VanDerWaalsContact C-N 3.35Å; F210-A212 PolarHBondContact O-N 3.31Å; A212-K216 VanDerWaalsContact O-CD 3.26Å; A212-K216 WeakPolarHBondContact O-CD 3.13Å; A212-K216 WeakPolarHBondContact O-CE 3.43Å; A212-K216 WeakPolarHBondContact O-CG 3.05Å; A212-V241 HydrophobicContact CB-CG1 3.94Å; A212-V241 WeakPolarHBondContact CB-O 3.23Å; A212-V242 HydrophobicContact CB-CG1 4.04Å
213	W	78.7	Confident	75	Confident	11 Å²	11	49.4 Å²	49.4	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-89.3	-51.9	-173.8	-174.6	48	0	0	0	113.3	M159 V209 K216 Q217 V218 G219 L221 V241	M159-W213 HydrophobicContact CB-CE3 4.25Å; M159-W213 HydrophobicContact CB-CZ3 3.76Å; V209-W213 WeakPolarHBondContact O-CB 3.45Å; V209-W213 PolarHBondContact O-N 3.47Å; W213-K216 PolarHBondContact O-N 3.31Å; W213-Q217 PolarHBondContact O-N 2.89Å; W213-V218 PolarHBondContact NE1-O 3.23Å; W213-G219 WeakPolarHBondContact CZ2-O 3.14Å; W213-G219 PolarHBondContact NE1-O 3.19Å; W213-L221 HydrophobicContact CD2-CB 4.47Å; W213-L221 HydrophobicContact CZ2-CB 4.15Å; W213-V241 HydrophobicContact CB-CG1 3.79Å; W213-V241 HydrophobicContact CG-CG1 4.45Å
214	I	76	Confident	73.9	Confident	67 Å²	67	49.2 Å²	49.2	34%	0.344	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-57.2	-45.3	-171.3	-67.1	-66.6	0	0	0	113.2	M159 F210 K216 Q217	M159-I214 HydrophobicContact CB-CD1 4.43Å; M159-I214 VanDerWaalsContact O-CD1 3.29Å; M159-I214 WeakPolarHBondContact O-CD1 2.89Å; F210-I214 HydrophobicContact CD2-CD1 4.47Å; F210-I214 HydrophobicContact CD2-CG1 3.67Å; F210-I214 HydrophobicContact CE2-CD1 4.31Å; F210-I214 HydrophobicContact CE2-CG1 3.65Å; F210-I214 HydrophobicContact CG-CG1 4.32Å; F210-I214 HydrophobicContact CZ-CG1 4.25Å; F210-I214 WeakPolarHBondContact O-CB 3.46Å; F210-I214 WeakPolarHBondContact O-CG1 3.12Å; F210-I214 PolarHBondContact O-N 2.72Å; F210-I214 VanDerWaalsContact O-N 3.14Å; I214-K216 PolarHBondContact O-N 2.88Å; I214-Q217 PolarHBondContact O-N 3.02Å
215	P	70.6	Confident	72.5	Confident	100 Å²	100	50 Å²	50	65%	0.649	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-65.5	-25.1	-179.8	-21.9	35	0	0	0	113.4	N211 Q217	N211-P215 WeakPolarHBondContact O-CD 3.27Å; N211-P215 VanDerWaalsContact O-CG 3.27Å; N211-P215 WeakPolarHBondContact O-CG 3.49Å; P215-Q217 VanDerWaalsContact C-N 3.33Å
216	K	68.4	Low	70.9	Confident	135 Å²	135	49 Å²	49	59%	0.587	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-83.2	-10.9	-177.1	-59.2	-177.2	-179.6	-179.4	0	113	A212 W213 I214 V218	A212-K216 VanDerWaalsContact O-CD 3.26Å; A212-K216 WeakPolarHBondContact O-CD 3.13Å; A212-K216 WeakPolarHBondContact O-CE 3.43Å; A212-K216 WeakPolarHBondContact O-CG 3.05Å; W213-K216 PolarHBondContact O-N 3.31Å; I214-K216 PolarHBondContact O-N 2.88Å; K216-V218 HydrophobicContact CB-CG2 3.52Å; K216-V218 HydrophobicContact CD-CG2 4.36Å; K216-V218 PolarHBondContact O-N 3.37Å
217	Q	62.1	Low	69.1	Low	181 Å²	181	52.6 Å²	52.6	85%	0.846	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	30.1	-174.6	-59.8	-174.2	3.5	0	0	113.5	W213 I214 P215	W213-Q217 PolarHBondContact O-N 2.89Å; I214-Q217 PolarHBondContact O-N 3.02Å; P215-Q217 VanDerWaalsContact C-N 3.33Å
218	V	58.7	Low	67.2	Low	42 Å²	42	57.2 Å²	57.2	26%	0.255	31%	0.312	S	S	.	.			trans	-68.2	139	178	-180	0	0	0	0	106.4	W213 K216 D235	W213-V218 PolarHBondContact NE1-O 3.23Å; K216-V218 HydrophobicContact CB-CG2 3.52Å; K216-V218 HydrophobicContact CD-CG2 4.36Å; K216-V218 PolarHBondContact O-N 3.37Å; V218-D235 HydrophobicContact CG1-CB 3.66Å
219	G	67.5	Low	65.6	Low	41 Å²	41	58.8 Å²	58.8	42%	0.423	32%	0.315	S	S	.	.			trans	-58.4	-154	-178.2	0	0	0	0	0	114.1	W213 L221	W213-G219 WeakPolarHBondContact CZ2-O 3.14Å; W213-G219 PolarHBondContact NE1-O 3.19Å; G219-L221 PolarHBondContact O-N 3.5Å
220	S	65.1	Low	64.3	Low	15 Å²	15	59.9 Å²	59.9	11%	0.105	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-49.6	131.7	-177.2	-53.4	0	0	0	0	112.6	L156 R157 L236	L156-S220 WeakPolarHBondContact O-CA 3.16Å; R157-S220 VanDerWaalsContact CD-OG 3.28Å; R157-S220 WeakPolarHBondContact CD-OG 3.23Å; R157-S220 PolarHBondContact NE-OG 3.11Å; R157-S220 PolarHBondContact NH1-OG 2.83Å; S220-L236 WeakPolarHBondContact O-CG 3.31Å
221	L	66	Low	63.2	Low	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.7	176.1	177.7	93	0	0	0	109.1	L156 V209 W213 G219 Y233 V234 V241	L156-L221 HydrophobicContact CB-CB 3.98Å; L156-L221 HydrophobicContact CB-CD2 4.15Å; L156-L221 HydrophobicContact CD1-CD2 4.3Å; L156-L221 HydrophobicContact CD2-CD2 3.98Å; L156-L221 HydrophobicContact CG-CD2 4.39Å; L156-L221 PolarHBondContact N-O 2.87Å; L156-L221 PolarHBondContact O-N 2.85Å; V209-L221 HydrophobicContact CG1-CD2 3.76Å; W213-L221 HydrophobicContact CD2-CB 4.47Å; W213-L221 HydrophobicContact CZ2-CB 4.15Å; G219-L221 PolarHBondContact O-N 3.5Å; L221-Y233 HydrophobicContact CD2-CD1 3.7Å; L221-Y233 HydrophobicContact CD2-CG 4.21Å; L221-V234 WeakPolarHBondContact CD1-O 2.96Å; L221-V241 HydrophobicContact CD1-CB 3.83Å; L221-V241 HydrophobicContact CD1-CG1 4.27Å; L221-V241 HydrophobicContact CD1-CG2 3.24Å
222	F	62.4	Low	62.4	Low	15 Å²	15	59.3 Å²	59.3	7%	0.066	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	145	174.2	-64.8	-67.2	0	0	0	110.9	I150 F155 Y233 V234 D235 L236	I150-F222 HydrophobicContact CD1-CD1 3.45Å; I150-F222 VanDerWaalsContact CD1-CD1 3.45Å; I150-F222 HydrophobicContact CD1-CE1 3.48Å; I150-F222 VanDerWaalsContact CD1-CE1 3.48Å; I150-F222 HydrophobicContact CD1-CG 4.32Å; I150-F222 HydrophobicContact CD1-CZ 4.38Å; I150-F222 HydrophobicContact CG1-CB 4.4Å; I150-F222 HydrophobicContact CG1-CD1 3.8Å; I150-F222 HydrophobicContact CG1-CE1 4.32Å; I150-F222 HydrophobicContact CG1-CG 4.35Å; I150-F222 HydrophobicContact CG2-CD1 4.38Å; F155-F222 AromaticContact CD1-CD1 3.76Å; F155-F222 HydrophobicContact CD1-CD1 3.76Å; F155-F222 AromaticContact CD1-CE1 3.5Å; F155-F222 HydrophobicContact CD1-CE1 3.5Å; F155-F222 VanDerWaalsContact CD1-CE1 3.5Å; F155-F222 HydrophobicContact CD1-CZ 4.4Å; F155-F222 AromaticContact CE1-CD1 3.85Å; F155-F222 HydrophobicContact CE1-CD1 3.85Å; F155-F222 AromaticContact CE1-CE1 3.11Å; F155-F222 HydrophobicContact CE1-CE1 3.11Å; F155-F222 AromaticContact CE1-CZ 3.89Å; F155-F222 HydrophobicContact CE1-CZ 3.89Å; F155-F222 HydrophobicContact CZ-CE1 4.06Å; F222-Y233 WeakPolarHBondContact O-CA 3.37Å; F222-V234 HydrophobicContact CB-CG2 3.71Å; F222-V234 HydrophobicContact CD2-CG2 4.39Å; F222-V234 PolarHBondContact N-O 3.16Å; F222-V234 PolarHBondContact O-N 2.8Å; F222-D235 VanDerWaalsContact CD2-O 3.3Å; F222-D235 WeakPolarHBondContact CD2-O 3.34Å; F222-L236 HydrophobicContact CD2-CD2 4.29Å; F222-L236 HydrophobicContact CE1-CD2 4.44Å; F222-L236 VanDerWaalsContact CE2-CA 3.46Å; F222-L236 HydrophobicContact CE2-CB 4.27Å; F222-L236 HydrophobicContact CE2-CD2 3.49Å; F222-L236 VanDerWaalsContact CE2-CD2 3.49Å; F222-L236 HydrophobicContact CE2-CG 4.34Å; F222-L236 HydrophobicContact CZ-CD2 3.53Å
223	I	59.2	Low	61.9	Low	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.9	172	-45.7	174.5	0	0	0	108	I150 I151 L156 Y172 L199 I231 Q232 Y233	I150-I223 CarbonylContact C-O 3.52Å; I150-I223 WeakPolarHBondContact CA-O 3.45Å; I151-I223 HydrophobicContact CB-CB 4.47Å; I151-I223 HydrophobicContact CB-CG2 4.39Å; I151-I223 HydrophobicContact CD1-CB 4.49Å; I151-I223 HydrophobicContact CD1-CG2 3.55Å; I151-I223 HydrophobicContact CG1-CB 4.44Å; I151-I223 HydrophobicContact CG1-CG2 3.98Å; I151-I223 PolarHBondContact N-O 2.8Å; L156-I223 HydrophobicContact CD1-CD1 3.3Å; L156-I223 HydrophobicContact CD1-CG1 3.32Å; Y172-I223 HydrophobicContact CE1-CD1 4.26Å; L199-I223 HydrophobicContact CB-CD1 4.11Å; L199-I223 HydrophobicContact CD1-CD1 3.43Å; L199-I223 VanDerWaalsContact CD1-CD1 3.43Å; L199-I223 HydrophobicContact CD2-CD1 3.75Å; L199-I223 HydrophobicContact CD2-CG2 4.27Å; L199-I223 HydrophobicContact CG-CD1 3.92Å; I223-I231 HydrophobicContact CG2-CG2 3.44Å; I223-I231 VanDerWaalsContact CG2-CG2 3.44Å; I223-Q232 CarbonylContact C-O 3.49Å; I223-Q232 WeakPolarHBondContact CA-O 2.97Å; I223-Y233 HydrophobicContact CD1-CE1 4.44Å; I223-Y233 HydrophobicContact CG1-CD1 4.15Å; I223-Y233 HydrophobicContact CG1-CE1 4.03Å; I223-Y233 HydrophobicContact CG2-CD1 4.33Å; I223-Y233 HydrophobicContact CG2-CE1 4Å
224	T	58	Low	61.3	Low	12 Å²	12	58.2 Å²	58.2	7%	0.074	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	154.6	178.4	56.4	0	0	0	0	111.7	P148 N149 I231 Q232 V234	P148-T224 HydrophobicContact CB-CG2 4.47Å; N149-T224 CarbonylContact O-C 3.07Å; N149-T224 WeakPolarHBondContact O-CA 3.45Å; T224-I231 CarbonylContact O-C 3.53Å; T224-I231 VanDerWaalsContact O-CA 3.28Å; T224-I231 WeakPolarHBondContact O-CA 3.04Å; T224-Q232 PolarHBondContact N-O 3.19Å; T224-Q232 PolarHBondContact O-N 2.8Å; T224-Q232 VanDerWaalsContact OG1-CB 3.31Å; T224-Q232 WeakPolarHBondContact OG1-CB 3.33Å; T224-V234 HydrophobicContact CG2-CG2 3.73Å
225	Y	52.3	Low	60.6	Low	100 Å²	100	56.1 Å²	56.1	39%	0.392	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.1	170.9	171	-91.9	0	0	0	111.9	P148 N149 G230 I231	P148-Y225 WeakPolarHBondContact CA-O 3.16Å; N149-Y225 PolarHBondContact O-N 3.04Å; Y225-G230 WeakPolarHBondContact CA-O 3.42Å; Y225-I231 HydrophobicContact CD2-CG1 4.11Å
226	T	48.2	Very low	59.8	Low	23 Å²	23	54.9 Å²	54.9	14%	0.141	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	150.6	170.6	77.8	0	0	0	0	110.8	P148 E228 K229 G230	P148-T226 HydrophobicContact CB-CG2 3.82Å; P148-T226 HydrophobicContact CG-CG2 3.84Å; T226-E228 PolarHBondContact O-N 3.02Å; T226-K229 VanDerWaalsContact OG1-CB 3.31Å; T226-K229 WeakPolarHBondContact OG1-CB 3.22Å; T226-K229 PolarHBondContact OG1-N 3.25Å; T226-G230 PolarHBondContact N-O 3.46Å; T226-G230 VanDerWaalsContact O-CA 3.25Å; T226-G230 WeakPolarHBondContact O-CA 3.38Å; T226-G230 PolarHBondContact O-N 2.97Å
227	A	43.5	Very low	58.9	Low	75 Å²	75	54.2 Å²	54.2	62%	0.62	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-29.8	176.5	0	0	0	0	0	112.7
228	E	48.5	Very low	58.6	Low	163 Å²	163	47.5 Å²	47.5	76%	0.762	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-37.2	-177.2	-65.5	177.8	-175.2	0	0	112.9	T226	T226-E228 PolarHBondContact O-N 3.02Å
229	K	53.3	Low	58.7	Low	113 Å²	113	49 Å²	49	49%	0.491	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-8.9	-172.4	-58.4	-75.2	-171.6	167	0	113.8	T226 Q232 D245	T226-K229 VanDerWaalsContact OG1-CB 3.31Å; T226-K229 WeakPolarHBondContact OG1-CB 3.22Å; T226-K229 PolarHBondContact OG1-N 3.25Å; K229-Q232 HydrophobicContact CB-CG 4.26Å; K229-D245 IonicContact NZ-OD2 2.69Å; K229-D245 PolarHBondContact NZ-OD2 2.81Å
230	G	55.8	Low	58.8	Low	22 Å²	22	48.3 Å²	48.3	23%	0.227	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	72.6	-149	-175	0	0	0	0	0	112.6	Y225 T226	Y225-G230 WeakPolarHBondContact CA-O 3.42Å; T226-G230 PolarHBondContact N-O 3.46Å; T226-G230 VanDerWaalsContact O-CA 3.25Å; T226-G230 WeakPolarHBondContact O-CA 3.38Å; T226-G230 PolarHBondContact O-N 2.97Å
231	I	64.3	Low	59.1	Low	61 Å²	61	48.3 Å²	48.3	31%	0.313	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.3	178.3	-57.9	-177.2	0	0	0	109.8	I151 I223 T224 Y225 Y233	I151-I231 HydrophobicContact CD1-CB 4.4Å; I151-I231 HydrophobicContact CD1-CD1 3.78Å; I151-I231 HydrophobicContact CD1-CG1 3.75Å; I151-I231 HydrophobicContact CD1-CG2 3.95Å; I223-I231 HydrophobicContact CG2-CG2 3.44Å; I223-I231 VanDerWaalsContact CG2-CG2 3.44Å; T224-I231 CarbonylContact O-C 3.53Å; T224-I231 VanDerWaalsContact O-CA 3.28Å; T224-I231 WeakPolarHBondContact O-CA 3.04Å; Y225-I231 HydrophobicContact CD2-CG1 4.11Å; I231-Y233 HydrophobicContact CG2-CE2 4.12Å
232	Q	69.5	Low	59.4	Low	43 Å²	43	50.3 Å²	50.3	20%	0.201	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	157.6	175.4	-69.4	180	-36.5	0	0	110.2	I223 T224 K229	I223-Q232 CarbonylContact C-O 3.49Å; I223-Q232 WeakPolarHBondContact CA-O 2.97Å; T224-Q232 PolarHBondContact N-O 3.19Å; T224-Q232 PolarHBondContact O-N 2.8Å; T224-Q232 VanDerWaalsContact OG1-CB 3.31Å; T224-Q232 WeakPolarHBondContact OG1-CB 3.33Å; K229-Q232 HydrophobicContact CB-CG 4.26Å
233	Y	72	Confident	59.4	Low	6 Å²	6	52.7 Å²	52.7	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.1	178.6	-63.2	-85.9	0	0	0	108.3	L156 L199 F200 T205 V209 L221 F222 I223 I231 V241 V242	L156-Y233 HydrophobicContact CD1-CE1 4.48Å; L199-Y233 PolarHBondContact O-OH 3.23Å; F200-Y233 HydrophobicContact CD1-CE1 4.41Å; F200-Y233 HydrophobicContact CD1-CE2 4.31Å; F200-Y233 AromaticContact CD1-CZ 3.74Å; F200-Y233 WeakPolarHBondContact CD1-OH 3.49Å; F200-Y233 HydrophobicContact CE1-CD1 4.37Å; F200-Y233 AromaticContact CE1-CE1 3.59Å; F200-Y233 HydrophobicContact CE1-CE1 3.59Å; F200-Y233 AromaticContact CE1-CE2 3.78Å; F200-Y233 HydrophobicContact CE1-CE2 3.78Å; F200-Y233 AromaticContact CE1-CZ 3.23Å; F200-Y233 WeakPolarHBondContact CE1-OH 3.45Å; F200-Y233 AromaticContact CE2-CE1 3.71Å; F200-Y233 HydrophobicContact CE2-CE1 3.71Å; F200-Y233 AromaticContact CE2-CZ 3.96Å; F200-Y233 WeakPolarHBondContact CG-OH 3.41Å; F200-Y233 AromaticContact CZ-CD1 3.93Å; F200-Y233 HydrophobicContact CZ-CD1 3.93Å; F200-Y233 AromaticContact CZ-CE1 3.16Å; F200-Y233 HydrophobicContact CZ-CE1 3.16Å; F200-Y233 HydrophobicContact CZ-CE2 4.25Å; F200-Y233 AromaticContact CZ-CZ 3.36Å; F200-Y233 WeakPolarHBondContact CZ-OH 3.4Å; T205-Y233 HydrophobicContact CG2-CD2 4.24Å; T205-Y233 HydrophobicContact CG2-CE2 3.61Å; V209-Y233 HydrophobicContact CG1-CD1 4.49Å; V209-Y233 HydrophobicContact CG1-CG 4.38Å; V209-Y233 HydrophobicContact CG2-CD1 4.45Å; V209-Y233 HydrophobicContact CG2-CD2 3.5Å; V209-Y233 HydrophobicContact CG2-CE2 4.02Å; V209-Y233 HydrophobicContact CG2-CG 3.73Å; L221-Y233 HydrophobicContact CD2-CD1 3.7Å; L221-Y233 HydrophobicContact CD2-CG 4.21Å; F222-Y233 WeakPolarHBondContact O-CA 3.37Å; I223-Y233 HydrophobicContact CD1-CE1 4.44Å; I223-Y233 HydrophobicContact CG1-CD1 4.15Å; I223-Y233 HydrophobicContact CG1-CE1 4.03Å; I223-Y233 HydrophobicContact CG2-CD1 4.33Å; I223-Y233 HydrophobicContact CG2-CE1 4Å; I231-Y233 HydrophobicContact CG2-CE2 4.12Å; Y233-V241 PolarHBondContact O-N 2.77Å; Y233-V242 HydrophobicContact CD2-CG2 4.48Å
234	V	65.5	Low	58.9	Low	9 Å²	9	62.4 Å²	62.4	6%	0.055	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.3	-173.8	-56.3	0	0	0	0	110.2	L221 F222 T224 V239	L221-V234 WeakPolarHBondContact CD1-O 2.96Å; F222-V234 HydrophobicContact CB-CG2 3.71Å; F222-V234 HydrophobicContact CD2-CG2 4.39Å; F222-V234 PolarHBondContact N-O 3.16Å; F222-V234 PolarHBondContact O-N 2.8Å; T224-V234 HydrophobicContact CG2-CG2 3.73Å; V234-V239 CarbonylContact C-O 3.52Å; V234-V239 VanDerWaalsContact CA-O 3.23Å; V234-V239 WeakPolarHBondContact CA-O 3.4Å
235	D	61	Low	58.4	Low	22 Å²	22	66.2 Å²	66.2	12%	0.118	36%	0.363	C	S	.	.			trans	-72.6	-178.6	171.9	69.2	9.8	0	0	0	111.8	V218 F222 Y237 G238 V239 V241	V218-D235 HydrophobicContact CG1-CB 3.66Å; F222-D235 VanDerWaalsContact CD2-O 3.3Å; F222-D235 WeakPolarHBondContact CD2-O 3.34Å; D235-Y237 PolarHBondContact O-N 3.37Å; D235-Y237 VanDerWaalsContact OD1-CA 3.31Å; D235-Y237 WeakPolarHBondContact OD1-CA 3.09Å; D235-Y237 WeakPolarHBondContact OD1-CB 3.07Å; D235-Y237 PolarHBondContact OD1-N 2.99Å; D235-G238 PolarHBondContact O-N 2.94Å; D235-G238 PolarHBondContact OD1-N 2.54Å; D235-G238 VanDerWaalsContact OD1-N 3.15Å; D235-V239 PolarHBondContact N-O 3.42Å; D235-V239 PolarHBondContact OD1-N 2.61Å; D235-V241 HydrophobicContact CB-CG2 4.29Å
236	L	54.4	Low	57.9	Low	75 Å²	75	68.8 Å²	68.8	39%	0.393	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-17.1	179.4	-69.9	170.5	0	0	0	114.2	S220 F222	S220-L236 WeakPolarHBondContact O-CG 3.31Å; F222-L236 HydrophobicContact CD2-CD2 4.29Å; F222-L236 HydrophobicContact CE1-CD2 4.44Å; F222-L236 VanDerWaalsContact CE2-CA 3.46Å; F222-L236 HydrophobicContact CE2-CB 4.27Å; F222-L236 HydrophobicContact CE2-CD2 3.49Å; F222-L236 VanDerWaalsContact CE2-CD2 3.49Å; F222-L236 HydrophobicContact CE2-CG 4.34Å; F222-L236 HydrophobicContact CZ-CD2 3.53Å
237	Y	50.6	Low	57.6	Low	120 Å²	120	69.8 Å²	69.8	47%	0.471	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	2.4	-179	-51.1	-66.6	0	0	0	113.1	K104 E108 D235 V239	K104-Y237 HydrophobicContact CD-CD1 4.44Å; K104-Y237 HydrophobicContact CG-CD1 4.18Å; E108-Y237 HydrophobicContact CG-CE1 3.67Å; E108-Y237 VanDerWaalsContact OE1-CE1 3.32Å; E108-Y237 WeakPolarHBondContact OE1-CE1 3.05Å; E108-Y237 PolarHBondContact OE1-OH 3.37Å; D235-Y237 PolarHBondContact O-N 3.37Å; D235-Y237 VanDerWaalsContact OD1-CA 3.31Å; D235-Y237 WeakPolarHBondContact OD1-CA 3.09Å; D235-Y237 WeakPolarHBondContact OD1-CB 3.07Å; D235-Y237 PolarHBondContact OD1-N 2.99Å; Y237-V239 VanDerWaalsContact C-N 3.29Å
238	G	54.9	Low	57.5	Low	41 Å²	41	72.1 Å²	72.1	42%	0.423	38%	0.383	S	S	.	.	S	Bend	trans	80.5	6.5	-177.2	0	0	0	0	0	114.1	D235 P240	D235-G238 PolarHBondContact O-N 2.94Å; D235-G238 PolarHBondContact OD1-N 2.54Å; D235-G238 VanDerWaalsContact OD1-N 3.15Å; G238-P240 WeakPolarHBondContact O-CD 3.42Å
239	V	61.3	Low	57.3	Low	74 Å²	74	67.6 Å²	67.6	45%	0.448	36%	0.362	S	S	.	.			trans	-78.1	126.3	178.6	-177.5	0	0	0	0	109.4	V234 D235 Y237 V241	V234-V239 CarbonylContact C-O 3.52Å; V234-V239 VanDerWaalsContact CA-O 3.23Å; V234-V239 WeakPolarHBondContact CA-O 3.4Å; D235-V239 PolarHBondContact N-O 3.42Å; D235-V239 PolarHBondContact OD1-N 2.61Å; Y237-V239 VanDerWaalsContact C-N 3.29Å; V239-V241 PolarHBondContact O-N 3.3Å
240	P	68.8	Low	56.9	Low	26 Å²	26	65.6 Å²	65.6	17%	0.169	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-57.3	127	175.2	-25.1	35	0	0	0	112.1	G238 V242 V247	G238-P240 WeakPolarHBondContact O-CD 3.42Å; P240-V242 VanDerWaalsContact C-N 3.32Å; P240-V247 HydrophobicContact CG-CG2 4.07Å
241	V	70.7	Confident	56.5	Low	15 Å²	15	66.1 Å²	66.1	9%	0.091	35%	0.352	C	S	.	.	S	Bend	trans	-79	-23	176.4	176.4	0	0	0	0	111.5	A212 W213 L221 Y233 D235 V239	A212-V241 HydrophobicContact CB-CG1 3.94Å; A212-V241 WeakPolarHBondContact CB-O 3.23Å; W213-V241 HydrophobicContact CB-CG1 3.79Å; W213-V241 HydrophobicContact CG-CG1 4.45Å; L221-V241 HydrophobicContact CD1-CB 3.83Å; L221-V241 HydrophobicContact CD1-CG1 4.27Å; L221-V241 HydrophobicContact CD1-CG2 3.24Å; Y233-V241 PolarHBondContact O-N 2.77Å; D235-V241 HydrophobicContact CB-CG2 4.29Å; V239-V241 PolarHBondContact O-N 3.3Å
242	V	72.9	Confident	55.8	Low	41 Å²	41	63.6 Å²	63.6	25%	0.248	34%	0.34	C	S	.	.	S	Bend	trans	-134.1	142.1	174.5	-67.6	0	0	0	0	110.8	N208 V209 A212 Y233 P240	N208-V242 VanDerWaalsContact C-CG1 3.41Å; N208-V242 HydrophobicContact CB-CG1 3.8Å; N208-V242 WeakPolarHBondContact O-CG1 3.15Å; V209-V242 HydrophobicContact CB-CG1 4.36Å; V209-V242 HydrophobicContact CG2-CB 4.43Å; V209-V242 HydrophobicContact CG2-CG1 3.79Å; V209-V242 HydrophobicContact CG2-CG2 3.7Å; A212-V242 HydrophobicContact CB-CG1 4.04Å; Y233-V242 HydrophobicContact CD2-CG2 4.48Å; P240-V242 VanDerWaalsContact C-N 3.32Å
243	G	62.9	Low	55	Low	65 Å²	65	61.8 Å²	61.8	67%	0.67	33%	0.332	S	S	*	.	S	Bend	trans	103.5	147.8	-173.8	0	0	0	0	0	111.9
244	K	49.2	Very low	54.2	Low	205 Å²	205	61.9 Å²	61.9	89%	0.891	33%	0.332	S	S	*	.	S	Bend	trans	-92.1	-1.8	174.8	-74.4	-169.7	177.7	-173.6	0	113.1	E246	K244-E246 PolarHBondContact O-N 2.73Å
245	D	46.6	Very low	53.8	Low	91 Å²	91	61.7 Å²	61.7	49%	0.487	33%	0.331	S	S	.	.			trans	-76.3	80.5	176.1	-60.6	-2.7	0	0	0	106.4	K229 V247	K229-D245 IonicContact NZ-OD2 2.69Å; K229-D245 PolarHBondContact NZ-OD2 2.81Å; D245-V247 PolarHBondContact O-N 3.37Å
246	E	41.9	Very low	53.7	Low	155 Å²	155	60.7 Å²	60.7	72%	0.724	33%	0.326	S	S	*	.			trans	-46.8	126.8	149.7	-76.9	179.9	174.9	0	0	105.6	K244 Q248	K244-E246 PolarHBondContact O-N 2.73Å; E246-Q248 PolarHBondContact O-N 3.15Å
247	V	43	Very low	54.1	Low	44 Å²	44	58.9 Å²	58.9	27%	0.267	32%	0.318	S	S	.	.			trans	-73.7	77.9	-177.3	178.9	0	0	0	0	106.4	P240 D245 Q249	P240-V247 HydrophobicContact CG-CG2 4.07Å; D245-V247 PolarHBondContact O-N 3.37Å; V247-Q249 HydrophobicContact CG1-CB 4.01Å; V247-Q249 HydrophobicContact CG1-CG 3.41Å; V247-Q249 VanDerWaalsContact CG1-CG 3.41Å; V247-Q249 PolarHBondContact O-N 3.34Å
248	Q	41.5	Very low	54.4	Low	124 Å²	124	53.5 Å²	53.5	58%	0.579	30%	0.297	S	S	*	.			trans	-66.2	84.7	169.9	-75.2	-163.6	-22.4	0	0	107.8	E96 E246	E96-Q248 PolarHBondContact OE1-NE2 2.81Å; E246-Q248 PolarHBondContact O-N 3.15Å
249	Q	44.4	Very low	54.6	Low	67 Å²	67	55.1 Å²	55.1	31%	0.313	30%	0.296	S	S	.	.			trans	-107	122.7	174.9	-88.3	175.6	3.4	0	0	107.3	V247 Y251	V247-Q249 HydrophobicContact CG1-CB 4.01Å; V247-Q249 HydrophobicContact CG1-CG 3.41Å; V247-Q249 VanDerWaalsContact CG1-CG 3.41Å; V247-Q249 PolarHBondContact O-N 3.34Å; Q249-Y251 HydrophobicContact CB-CD1 4.38Å; Q249-Y251 HydrophobicContact CB-CE1 3.58Å; Q249-Y251 HydrophobicContact CB-CE2 3.88Å; Q249-Y251 VanDerWaalsContact CB-OH 3.27Å; Q249-Y251 WeakPolarHBondContact CB-OH 3.26Å; Q249-Y251 HydrophobicContact CG-CE1 4.42Å; Q249-Y251 VanDerWaalsContact O-CD2 3.23Å; Q249-Y251 WeakPolarHBondContact O-CD2 3.36Å; Q249-Y251 WeakPolarHBondContact O-CE2 3.44Å; Q249-Y251 VanDerWaalsContact OE1-CE1 3.22Å; Q249-Y251 PolarHBondContact OE1-OH 3.36Å
250	N	43	Very low	54.4	Low	72 Å²	72	55 Å²	55	39%	0.385	30%	0.297	S	S	.	.			trans	-71.9	138.9	162.3	-69	-24.7	0	0	0	107.5	A64 L65 F93 S94	A64-N250 CarbonylContact C-O 3.49Å; L65-N250 HydrophobicContact CB-CB 3.7Å; L65-N250 WeakPolarHBondContact CB-O 3.07Å; L65-N250 HydrophobicContact CD2-CB 4.02Å; L65-N250 HydrophobicContact CG-CB 4.33Å; L65-N250 PolarHBondContact N-O 2.84Å; F93-N250 CarbonylContact O-C 3.58Å; F93-N250 WeakPolarHBondContact O-CA 3.11Å; F93-N250 WeakPolarHBondContact O-CB 3.41Å; F93-N250 PolarHBondContact O-OD1 3.43Å; S94-N250 VanDerWaalsContact CA-OD1 3.26Å; S94-N250 WeakPolarHBondContact CA-OD1 3.49Å; S94-N250 WeakPolarHBondContact CB-OD1 3.45Å
251	Y	48.6	Very low	53.7	Low	33 Å²	33	54.9 Å²	54.9	13%	0.129	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	162.9	-179	-60.9	-71.3	0	0	0	111.7	T63 P92 F93 E95 Q249 F308	T63-Y251 CarbonylContact O-C 3.6Å; T63-Y251 WeakPolarHBondContact O-CA 3.3Å; P92-Y251 CarbonylContact C-O 3.35Å; F93-Y251 PolarHBondContact N-O 2.96Å; F93-Y251 PolarHBondContact O-N 3.04Å; E95-Y251 HydrophobicContact CG-CE2 4.31Å; Q249-Y251 HydrophobicContact CB-CD1 4.38Å; Q249-Y251 HydrophobicContact CB-CE1 3.58Å; Q249-Y251 HydrophobicContact CB-CE2 3.88Å; Q249-Y251 VanDerWaalsContact CB-OH 3.27Å; Q249-Y251 WeakPolarHBondContact CB-OH 3.26Å; Q249-Y251 HydrophobicContact CG-CE1 4.42Å; Q249-Y251 VanDerWaalsContact O-CD2 3.23Å; Q249-Y251 WeakPolarHBondContact O-CD2 3.36Å; Q249-Y251 WeakPolarHBondContact O-CE2 3.44Å; Q249-Y251 VanDerWaalsContact OE1-CE1 3.22Å; Q249-Y251 PolarHBondContact OE1-OH 3.36Å; Y251-F308 HydrophobicContact CD1-CD1 4.4Å; Y251-F308 HydrophobicContact CD1-CE1 4.16Å; Y251-F308 AromaticContact CE1-CD1 3.63Å; Y251-F308 HydrophobicContact CE1-CD1 3.63Å; Y251-F308 AromaticContact CE1-CE1 3.26Å; Y251-F308 HydrophobicContact CE1-CE1 3.26Å; Y251-F308 HydrophobicContact CE1-CZ 4.33Å; Y251-F308 AromaticContact CZ-CE1 3.74Å
252	S	48.6	Very low	53.1	Low	7 Å²	7	61.1 Å²	61.1	5%	0.049	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.3	163.6	-60.3	0	0	0	0	110.7	I62 T63 L65 L91	I62-S252 CarbonylContact C-O 3.58Å; I62-S252 WeakPolarHBondContact CA-O 3.48Å; T63-S252 WeakPolarHBondContact CG2-O 3.26Å; T63-S252 PolarHBondContact N-O 3.03Å; T63-S252 PolarHBondContact O-N 2.95Å; L65-S252 WeakPolarHBondContact CD1-OG 3.44Å; L91-S252 WeakPolarHBondContact O-CA 3.24Å
253	V	52.9	Low	52.5	Low	5 Å²	5	64.5 Å²	64.5	3%	0.03	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.2	172.6	-180	0	0	0	0	108.9	L60 A61 I62 W89 L91 F93	L60-V253 HydrophobicContact CB-CG1 4.32Å; L60-V253 HydrophobicContact CD2-CG1 3.79Å; L60-V253 HydrophobicContact CG-CG1 4.45Å; A61-V253 CarbonylContact O-C 3.47Å; A61-V253 WeakPolarHBondContact O-CA 2.97Å; I62-V253 HydrophobicContact CB-CG2 4.25Å; I62-V253 HydrophobicContact CD1-CG2 4.21Å; I62-V253 HydrophobicContact CG1-CG2 3.93Å; I62-V253 HydrophobicContact CG2-CG2 3.85Å; W89-V253 HydrophobicContact CZ3-CG1 4.08Å; L91-V253 HydrophobicContact CD1-CB 4.46Å; L91-V253 PolarHBondContact N-O 2.86Å; L91-V253 VanDerWaalsContact N-O 3.13Å; L91-V253 PolarHBondContact O-N 2.83Å; F93-V253 HydrophobicContact CD2-CG2 3.95Å; F93-V253 HydrophobicContact CE2-CB 3.46Å; F93-V253 VanDerWaalsContact CE2-CB 3.46Å; F93-V253 HydrophobicContact CE2-CG2 3.12Å; F93-V253 HydrophobicContact CZ-CB 3.99Å; F93-V253 HydrophobicContact CZ-CG2 3.68Å
254	F	55	Low	52.2	Low	8 Å²	8	63.5 Å²	63.5	4%	0.035	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.7	176.9	-64.3	-92.7	0	0	0	109.3	L60 A61 T63 Q73 Q76 W89	L60-F254 CarbonylContact C-O 3.3Å; L60-F254 WeakPolarHBondContact CA-O 3.31Å; A61-F254 HydrophobicContact CB-CB 4.33Å; A61-F254 PolarHBondContact N-O 3.12Å; A61-F254 PolarHBondContact O-N 3.14Å; T63-F254 HydrophobicContact CG2-CD2 4.09Å; T63-F254 HydrophobicContact CG2-CE2 3.56Å; Q73-F254 HydrophobicContact CB-CE1 3.81Å; Q73-F254 HydrophobicContact CB-CZ 4.46Å; Q73-F254 HydrophobicContact CG-CE1 3.78Å; Q73-F254 HydrophobicContact CG-CZ 4.22Å; Q76-F254 HydrophobicContact CB-CD2 3.92Å; Q76-F254 HydrophobicContact CB-CE2 4.17Å; Q76-F254 HydrophobicContact CB-CG 4.31Å; Q76-F254 HydrophobicContact CG-CD2 4.08Å; Q76-F254 HydrophobicContact CG-CE2 3.79Å; Q76-F254 HydrophobicContact CG-CZ 4.23Å; W89-F254 VanDerWaalsContact O-CD1 3.24Å; W89-F254 WeakPolarHBondContact O-CD1 3.02Å
255	V	57.5	Low	52.6	Low	6 Å²	6	54.4 Å²	54.4	4%	0.036	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	125.4	165.8	-175.1	0	0	0	0	108.5	I47 L60 P86 M87 W89	I47-V255 HydrophobicContact CD1-CG1 3.89Å; I47-V255 HydrophobicContact CD1-CG2 3.89Å; L60-V255 HydrophobicContact CD2-CG2 3.95Å; P86-V255 WeakPolarHBondContact CA-O 2.9Å; M87-V255 HydrophobicContact CB-CB 4.37Å; M87-V255 HydrophobicContact CE-CB 4.11Å; M87-V255 HydrophobicContact CE-CG1 3.52Å; M87-V255 HydrophobicContact CG-CG1 4.4Å; M87-V255 PolarHBondContact N-O 2.82Å; W89-V255 HydrophobicContact CD2-CG2 4.25Å; W89-V255 HydrophobicContact CE3-CB 4.27Å; W89-V255 HydrophobicContact CE3-CG2 3.43Å; W89-V255 VanDerWaalsContact CE3-CG2 3.43Å; W89-V255 HydrophobicContact CH2-CG2 4.08Å; W89-V255 HydrophobicContact CZ3-CB 4.47Å; W89-V255 HydrophobicContact CZ3-CG2 3.33Å
256	C	60	Low	53.3	Low	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.9	-180	-56.5	0	0	0	0	110.1	I58 G59 A61 C77 L85 H258	I58-C256 CarbonylContact C-O 3.59Å; I58-C256 VanDerWaalsContact CA-O 3.23Å; I58-C256 WeakPolarHBondContact CA-O 3.44Å; G59-C256 PolarHBondContact N-O 3.08Å; G59-C256 PolarHBondContact O-N 2.76Å; A61-C256 WeakPolarHBondContact CB-SG 3.32Å; C77-C256 WeakPolarHBondContact CA-SG 3.35Å; C77-C256 HydrophobicContact CB-CB 3.65Å; C77-C256 WeakPolarHBondContact CB-SG 3.29Å; C77-C256 WeakPolarHBondContact SG-CA 3.4Å; C77-C256 WeakPolarHBondContact SG-CB 3.19Å; C77-C256 CovalentContact SG-SG 2.04Å; C77-C256 PolarHBondContact SG-SG 3.48Å; L85-C256 WeakPolarHBondContact O-CA 3.23Å; C256-H258 PolarHBondContact O-CD2 3.29Å
257	V	61.3	Low	54.2	Low	37 Å²	37	51 Å²	51	22%	0.224	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.4	166.7	173.5	0	0	0	0	107.6	P56 I58 G84 L85 M87	P56-V257 HydrophobicContact CB-CG1 3.68Å; P56-V257 HydrophobicContact CG-CG1 3.24Å; I58-V257 HydrophobicContact CG2-CG2 4.06Å; G84-V257 CarbonylContact C-O 3.55Å; G84-V257 WeakPolarHBondContact CA-O 3.46Å; L85-V257 PolarHBondContact N-O 3.17Å; L85-V257 PolarHBondContact O-N 3.36Å; M87-V257 HydrophobicContact CG-CG2 3.5Å; M87-V257 HydrophobicContact SD-CG2 3.84Å
258	H	58.4	Low	55.3	Low	7 Å²	7	56.8 Å²	56.8	3%	0.032	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	150.6	-173.4	-60.5	-85.9	0	0	0	112.6	P57 T80 P82 C256 F302	P57-H258 PolarHBondContact O-N 2.96Å; T80-H258 PolarHBondContact OG1-CE1 2.88Å; T80-H258 PolarHBondContact OG1-ND1 2.8Å; P82-H258 HydrophobicContact CB-CB 4.31Å; P82-H258 HydrophobicContact CG-CB 3.99Å; P82-H258 PolarHBondContact O-ND1 2.03Å; C256-H258 PolarHBondContact O-CD2 3.29Å; H258-F302 HydrophobicContact CB-CD1 4.31Å; H258-F302 HydrophobicContact CB-CE1 3.67Å; H258-F302 AromaticContact CD2-CD1 3.57Å; H258-F302 AromaticContact CD2-CE1 3.82Å; H258-F302 AromaticContact CG-CD1 3.92Å; H258-F302 AromaticContact CG-CE1 3.77Å
259	D	57.7	Low	56.4	Low	76 Å²	76	51.8 Å²	51.8	41%	0.406	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-59.5	143.7	167.7	-74.1	-22.1	0	0	0	110.7	A83 V261	A83-D259 PolarHBondContact O-N 2.84Å; D259-V261 PolarHBondContact O-N 3.09Å
260	P	58	Low	57.3	Low	72 Å²	72	55.1 Å²	55.1	47%	0.468	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-53.3	129.9	174.2	-26	33.9	0	0	0	111.7	R262	P260-R262 PolarHBondContact O-N 2.67Å; P260-R262 VanDerWaalsContact O-N 3.09Å
261	V	54.1	Low	57.9	Low	23 Å²	23	55.3 Å²	55.3	14%	0.139	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-67.7	-16.6	-171	-158.2	0	0	0	0	113.2	P82 D259 Q263 Y264 I300 F302	P82-V261 HydrophobicContact CG-CG2 4.07Å; D259-V261 PolarHBondContact O-N 3.09Å; V261-Q263 PolarHBondContact O-N 3.45Å; V261-Y264 HydrophobicContact CG1-CD2 4.39Å; V261-Y264 WeakPolarHBondContact O-CB 3.14Å; V261-Y264 PolarHBondContact O-N 2.76Å; V261-I300 HydrophobicContact CG1-CB 4.09Å; V261-I300 HydrophobicContact CG1-CD1 3.18Å; V261-I300 HydrophobicContact CG1-CG1 4.2Å; V261-I300 HydrophobicContact CG1-CG2 3.81Å; V261-F302 HydrophobicContact CG2-CE1 4.29Å; V261-F302 HydrophobicContact CG2-CE2 3.93Å; V261-F302 HydrophobicContact CG2-CZ 3.36Å
262	R	58.6	Low	58	Low	146 Å²	146	60 Å²	60	55%	0.551	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-47.4	-35.8	-174.4	-177.4	175.1	175.5	179.3	0.1	114.6	P260 Y264	P260-R262 PolarHBondContact O-N 2.67Å; P260-R262 VanDerWaalsContact O-N 3.09Å; R262-Y264 PolarHBondContact O-N 3.23Å
263	Q	59.3	Low	57.9	Low	112 Å²	112	61.9 Å²	61.9	52%	0.523	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-71.9	-14.5	-179.6	65	-176	-16.8	0	0	114	V261 L285	V261-Q263 PolarHBondContact O-N 3.45Å; Q263-L285 WeakPolarHBondContact O-CD1 3.22Å
264	Y	56	Low	58	Low	44 Å²	44	65.6 Å²	65.6	17%	0.173	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-104.2	3.8	-176.8	-52.9	-64.9	0	0	0	113.3	Y81 P82 V261 R262 L285 L288	Y81-Y264 HydrophobicContact CE2-CD1 4.21Å; Y81-Y264 HydrophobicContact CE2-CE1 4.06Å; Y81-Y264 AromaticContact CZ-CD1 3.83Å; Y81-Y264 AromaticContact CZ-CG 3.82Å; Y81-Y264 VanDerWaalsContact OH-CB 3.23Å; Y81-Y264 WeakPolarHBondContact OH-CB 3.39Å; Y81-Y264 WeakPolarHBondContact OH-CD1 3.04Å; P82-Y264 HydrophobicContact CB-CD2 4.37Å; P82-Y264 HydrophobicContact CB-CE2 3.79Å; V261-Y264 HydrophobicContact CG1-CD2 4.39Å; V261-Y264 WeakPolarHBondContact O-CB 3.14Å; V261-Y264 PolarHBondContact O-N 2.76Å; R262-Y264 PolarHBondContact O-N 3.23Å; Y264-L285 PolarHBondContact O-N 3.46Å; Y264-L288 HydrophobicContact CD1-CD2 4.31Å; Y264-L288 WeakPolarHBondContact O-CD1 3Å
265	C	57.6	Low	58	Low	14 Å²	14	69.1 Å²	69.1	10%	0.095	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.3	-177.3	-59.4	0	0	0	0	111.8	R268 C281 Q283	C265-R268 HydrophobicContact CB-CG 4.49Å; C265-C281 WeakPolarHBondContact CA-SG 2.89Å; C265-C281 HydrophobicContact CB-CB 4.2Å; C265-C281 WeakPolarHBondContact CB-SG 3.49Å; C265-C281 VanDerWaalsContact SG-CA 3.55Å; C265-C281 WeakPolarHBondContact SG-CB 3.38Å; C265-C281 CovalentContact SG-SG 2.03Å; C265-C281 PolarHBondContact SG-SG 3.14Å; C265-Q283 CarbonylContact C-O 3.5Å; C265-Q283 WeakPolarHBondContact CA-O 3.32Å
266	F	62	Low	57.4	Low	128 Å²	128	71.1 Å²	71.1	56%	0.561	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	-46.4	165.8	-176.1	-92.3	0	0	0	111.5	Q283 C284 L285	F266-Q283 WeakPolarHBondContact CA-O 3.4Å; F266-Q283 HydrophobicContact CB-CB 4.22Å; F266-Q283 HydrophobicContact CB-CG 4.15Å; F266-Q283 HydrophobicContact CD1-CB 4.39Å; F266-Q283 VanDerWaalsContact CD1-CD 3.46Å; F266-Q283 HydrophobicContact CD1-CG 4.17Å; F266-Q283 PolarHBondContact N-O 2.83Å; F266-C284 VanDerWaalsContact CB-O 3.31Å; F266-C284 WeakPolarHBondContact CB-O 3.31Å; F266-L285 HydrophobicContact CB-CD2 4.05Å; F266-L285 HydrophobicContact CD2-CD2 4.16Å
267	S	61.5	Low	57.1	Low	45 Å²	45	76.3 Å²	76.3	32%	0.315	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.8	176.9	-171.3	0	0	0	0	110.8	V282 Q283	S267-V282 PolarHBondContact O-N 3.38Å; S267-V282 VanDerWaalsContact O-N 3.09Å; S267-Q283 PolarHBondContact N-O 2.7Å; S267-Q283 VanDerWaalsContact N-O 3.13Å; S267-Q283 PolarHBondContact O-N 3.37Å; S267-Q283 VanDerWaalsContact O-N 3.14Å
268	R	65.1	Low	56.7	Low	166 Å²	166	76.2 Å²	76.2	63%	0.626	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.9	-170.9	-59.3	177.7	-173.4	158.1	5.4	109.9	C265	C265-R268 HydrophobicContact CB-CG 4.49Å
269	G	63.9	Low	56.4	Low	20 Å²	20	81.5 Å²	81.5	21%	0.206	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	178.3	170.1	0	0	0	0	0	110.6	S280	G269-S280 PolarHBondContact N-O 3.13Å; G269-S280 PolarHBondContact O-N 2.03Å
270	K	63.3	Low	56.4	Low	136 Å²	136	78.7 Å²	78.7	59%	0.591	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	125.5	175.3	-78.7	164.6	161.6	-150.5	0	107.2	E277 Y278	K270-E277 HydrophobicContact CB-CG 3.73Å; K270-E277 VanDerWaalsContact CD-CD 3.46Å; K270-E277 HydrophobicContact CD-CG 4.11Å; K270-E277 WeakPolarHBondContact CD-OE1 3.22Å; K270-E277 WeakPolarHBondContact CE-OE1 3.34Å; K270-E277 HydrophobicContact CG-CG 3.93Å; K270-E277 IonicContact NZ-OE1 2.6Å; K270-E277 PolarHBondContact NZ-OE1 2.85Å; K270-Y278 WeakPolarHBondContact CA-O 3.41Å
271	I	57	Low	56.2	Low	77 Å²	77	75.7 Å²	75.7	40%	0.395	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.2	171.3	-68.2	168.4	0	0	0	106.8	Y278 S280	I271-Y278 PolarHBondContact N-O 3.33Å; I271-Y278 PolarHBondContact O-N 2.69Å; I271-S280 WeakPolarHBondContact CD1-OG 3.41Å
272	K	50.9	Low	56.3	Low	130 Å²	130	77.4 Å²	77.4	57%	0.565	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.6	175.4	-161.7	-174.5	-174.1	-143.1	0	108.2	C274 D275 I276	K272-C274 WeakPolarHBondContact CD-O 3.19Å; K272-C274 WeakPolarHBondContact CE-O 3.49Å; K272-C274 WeakPolarHBondContact CG-O 3.42Å; K272-C274 PolarHBondContact NZ-O 3.45Å; K272-D275 IonicContact NZ-OD1 2.8Å; K272-D275 PolarHBondContact NZ-OD1 2.77Å; K272-I276 WeakPolarHBondContact CA-O 3.27Å
273	D	46.8	Very low	56.1	Low	47 Å²	47	74.2 Å²	74.2	25%	0.251	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.5	162.3	171.2	21.9	0	0	0	107.4	K50 D275 I276 Y278	K50-D273 IonicContact NZ-OD2 2.69Å; K50-D273 PolarHBondContact NZ-OD2 3.22Å; D273-D275 PolarHBondContact O-N 2.93Å; D273-I276 PolarHBondContact N-O 3.19Å; D273-I276 PolarHBondContact O-N 2.78Å; D273-Y278 HydrophobicContact CB-CD2 4.26Å; D273-Y278 HydrophobicContact CB-CE2 3.71Å
274	C	55.1	Low	55.9	Low	83 Å²	83	70 Å²	70	56%	0.561	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	-115.6	-168.4	-60	0	0	0	0	112.6	K272	K272-C274 WeakPolarHBondContact CD-O 3.19Å; K272-C274 WeakPolarHBondContact CE-O 3.49Å; K272-C274 WeakPolarHBondContact CG-O 3.42Å; K272-C274 PolarHBondContact NZ-O 3.45Å
275	D	54.6	Low	55.8	Low	82 Å²	82	71.1 Å²	71.1	44%	0.439	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	10.2	175.9	-77.9	-33.9	0	0	0	113.1	K272 D273	K272-D275 IonicContact NZ-OD1 2.8Å; K272-D275 PolarHBondContact NZ-OD1 2.77Å; D273-D275 PolarHBondContact O-N 2.93Å
276	I	44.3	Very low	55.5	Low	49 Å²	49	74.8 Å²	74.8	25%	0.251	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.1	177.5	-55.1	180	0	0	0	108.4	N11 K272 D273 Y278	N11-I276 HydrophobicContact CB-CD1 4.13Å; N11-I276 VanDerWaalsContact ND2-CD1 3.31Å; N11-I276 WeakPolarHBondContact ND2-CD1 3.49Å; K272-I276 WeakPolarHBondContact CA-O 3.27Å; D273-I276 PolarHBondContact N-O 3.19Å; D273-I276 PolarHBondContact O-N 2.78Å; I276-Y278 HydrophobicContact CB-CE1 4.44Å; I276-Y278 HydrophobicContact CB-CE2 3.71Å; I276-Y278 HydrophobicContact CG2-CD1 4.21Å; I276-Y278 HydrophobicContact CG2-CD2 4.26Å; I276-Y278 HydrophobicContact CG2-CE1 3.62Å; I276-Y278 HydrophobicContact CG2-CE2 3.67Å; I276-Y278 WeakPolarHBondContact O-CD2 3.19Å; I276-Y278 WeakPolarHBondContact O-CE2 2.96Å
277	E	54.2	Low	54.7	Low	109 Å²	109	76.6 Å²	76.6	51%	0.509	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113.3	177.3	-163.9	-178.7	86.5	0	0	108.4	K270	K270-E277 HydrophobicContact CB-CG 3.73Å; K270-E277 VanDerWaalsContact CD-CD 3.46Å; K270-E277 HydrophobicContact CD-CG 4.11Å; K270-E277 WeakPolarHBondContact CD-OE1 3.22Å; K270-E277 WeakPolarHBondContact CE-OE1 3.34Å; K270-E277 HydrophobicContact CG-CG 3.93Å; K270-E277 IonicContact NZ-OE1 2.6Å; K270-E277 PolarHBondContact NZ-OE1 2.85Å
278	Y	51.6	Low	54	Low	34 Å²	34	76.4 Å²	76.4	13%	0.133	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.2	178.3	-57	-85.3	0	0	0	109.4	H53 K270 I271 D273 I276 S280	H53-Y278 HydrophobicContact CB-CD1 3.88Å; H53-Y278 HydrophobicContact CB-CE1 3.52Å; H53-Y278 AromaticContact ND1-CD1 3.9Å; H53-Y278 AromaticContact ND1-CD2 3.89Å; H53-Y278 AromaticContact ND1-CG 3.72Å; H53-Y278 WeakPolarHBondContact O-CD1 3.37Å; H53-Y278 WeakPolarHBondContact O-CE1 2.87Å; K270-Y278 WeakPolarHBondContact CA-O 3.41Å; I271-Y278 PolarHBondContact N-O 3.33Å; I271-Y278 PolarHBondContact O-N 2.69Å; D273-Y278 HydrophobicContact CB-CD2 4.26Å; D273-Y278 HydrophobicContact CB-CE2 3.71Å; I276-Y278 HydrophobicContact CB-CE1 4.44Å; I276-Y278 HydrophobicContact CB-CE2 3.71Å; I276-Y278 HydrophobicContact CG2-CD1 4.21Å; I276-Y278 HydrophobicContact CG2-CD2 4.26Å; I276-Y278 HydrophobicContact CG2-CE1 3.62Å; I276-Y278 HydrophobicContact CG2-CE2 3.67Å; I276-Y278 WeakPolarHBondContact O-CD2 3.19Å; I276-Y278 WeakPolarHBondContact O-CE2 2.96Å; Y278-S280 PolarHBondContact O-N 3.09Å
279	D	52.9	Low	52.8	Low	118 Å²	118	71.2 Å²	71.2	63%	0.631	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	121.9	168.9	-79.5	-22.9	0	0	0	108.6
280	S	57.3	Low	51.4	Low	18 Å²	18	77.1 Å²	77.1	13%	0.126	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.9	174.2	175.7	0	0	0	0	110.6	G269 I271 Y278 V282	G269-S280 PolarHBondContact N-O 3.13Å; G269-S280 PolarHBondContact O-N 2.03Å; I271-S280 WeakPolarHBondContact CD1-OG 3.41Å; Y278-S280 PolarHBondContact O-N 3.09Å; S280-V282 PolarHBondContact O-N 2.69Å
281	C	55	Low	50.2	Low	9 Å²	9	75.8 Å²	75.8	6%	0.061	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	94.4	173.5	-157.6	0	0	0	0	109.9	C265 Q283 N298 T299 I300	C265-C281 WeakPolarHBondContact CA-SG 2.89Å; C265-C281 HydrophobicContact CB-CB 4.2Å; C265-C281 WeakPolarHBondContact CB-SG 3.49Å; C265-C281 VanDerWaalsContact SG-CA 3.55Å; C265-C281 WeakPolarHBondContact SG-CB 3.38Å; C265-C281 CovalentContact SG-SG 2.03Å; C265-C281 PolarHBondContact SG-SG 3.14Å; C281-Q283 VanDerWaalsContact C-N 3.28Å; C281-N298 CarbonylContact O-C 3.59Å; C281-T299 WeakPolarHBondContact O-CA 3.37Å; C281-I300 HydrophobicContact CB-CB 4.11Å; C281-I300 HydrophobicContact CB-CD1 3.62Å; C281-I300 HydrophobicContact CB-CG1 3.76Å; C281-I300 WeakPolarHBondContact SG-CD1 3.44Å
282	V	55.2	Low	49.4	Very low	59 Å²	59	72.5 Å²	72.5	36%	0.358	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-24	179.3	178.6	0	0	0	0	111.2	S267 S280 N298	S267-V282 PolarHBondContact O-N 3.38Å; S267-V282 VanDerWaalsContact O-N 3.09Å; S280-V282 PolarHBondContact O-N 2.69Å; V282-N298 CarbonylContact C-O 3.53Å; V282-N298 VanDerWaalsContact C-O 3.27Å; V282-N298 WeakPolarHBondContact CA-O 3.45Å; V282-N298 CarbonylContact O-C 3.42Å; V282-N298 WeakPolarHBondContact O-CB 3.44Å; V282-N298 PolarHBondContact O-ND2 3.5Å; V282-N298 VanDerWaalsContact O-O 3.08Å; V282-N298 PolarHBondContact O-OD1 2.98Å
283	Q	55	Low	48.8	Very low	79 Å²	79	67.3 Å²	67.3	37%	0.369	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	133.3	174.5	-168.7	178.5	-5.1	0	0	109.2	C265 F266 S267 C281	C265-Q283 CarbonylContact C-O 3.5Å; C265-Q283 WeakPolarHBondContact CA-O 3.32Å; F266-Q283 WeakPolarHBondContact CA-O 3.4Å; F266-Q283 HydrophobicContact CB-CB 4.22Å; F266-Q283 HydrophobicContact CB-CG 4.15Å; F266-Q283 HydrophobicContact CD1-CB 4.39Å; F266-Q283 VanDerWaalsContact CD1-CD 3.46Å; F266-Q283 HydrophobicContact CD1-CG 4.17Å; F266-Q283 PolarHBondContact N-O 2.83Å; S267-Q283 PolarHBondContact N-O 2.7Å; S267-Q283 VanDerWaalsContact N-O 3.13Å; S267-Q283 PolarHBondContact O-N 3.37Å; S267-Q283 VanDerWaalsContact O-N 3.14Å; C281-Q283 VanDerWaalsContact C-N 3.28Å
284	C	54	Low	48.1	Very low	23 Å²	23	65.7 Å²	65.7	16%	0.155	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	151.9	174	-75.6	0	0	0	0	112.4	F266 L288 C293 I300	F266-C284 VanDerWaalsContact CB-O 3.31Å; F266-C284 WeakPolarHBondContact CB-O 3.31Å; C284-L288 HydrophobicContact CB-CD1 3.9Å; C284-C293 HydrophobicContact CB-CB 3.76Å; C284-C293 WeakPolarHBondContact CB-SG 3.39Å; C284-C293 WeakPolarHBondContact SG-CB 3.37Å; C284-C293 CovalentContact SG-SG 2.03Å; C284-C293 PolarHBondContact SG-SG 2.87Å; C284-I300 VanDerWaalsContact SG-CD1 3.52Å; C284-I300 WeakPolarHBondContact SG-CG1 3.07Å
285	L	54.9	Low	46.9	Very low	67 Å²	67	67.4 Å²	67.4	35%	0.351	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-59.4	147	163.6	-68.3	173.1	0	0	0	109.9	Q263 Y264 F266 L288	Q263-L285 WeakPolarHBondContact O-CD1 3.22Å; Y264-L285 PolarHBondContact O-N 3.46Å; F266-L285 HydrophobicContact CB-CD2 4.05Å; F266-L285 HydrophobicContact CD2-CD2 4.16Å; L285-L288 HydrophobicContact CB-CD1 4.05Å; L285-L288 HydrophobicContact CB-CD2 4.27Å; L285-L288 HydrophobicContact CB-CG 4.17Å; L285-L288 VanDerWaalsContact O-CD1 3.29Å; L285-L288 WeakPolarHBondContact O-CD1 3.31Å; L285-L288 VanDerWaalsContact O-CG 3.22Å; L285-L288 WeakPolarHBondContact O-CG 3.08Å
286	P	50.1	Low	45.7	Very low	92 Å²	92	67.2 Å²	67.2	60%	0.597	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	158.9	172	26.7	-33.2	0	0	0	111.2	L288	P286-L288 VanDerWaalsContact C-N 3.33Å; P286-L288 PolarHBondContact O-N 2.91Å
287	N	46	Very low	45	Very low	166 Å²	166	67.2 Å²	67.2	89%	0.888	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	21.7	176.2	-56.7	-46.5	0	0	0	116.6	G289	N287-G289 PolarHBondContact O-N 3.48Å; N287-G289 VanDerWaalsContact O-N 3.16Å
288	L	46.3	Very low	44	Very low	41 Å²	41	66.4 Å²	66.4	22%	0.215	38%	0.381	C	S	.	.	S	Bend	trans	-75.9	7.2	174.3	-61	176.1	0	0	0	114.1	Y81 Y264 C284 L285 P286	Y81-L288 WeakPolarHBondContact OH-CD1 3.04Å; Y81-L288 WeakPolarHBondContact OH-CD2 3.36Å; Y264-L288 HydrophobicContact CD1-CD2 4.31Å; Y264-L288 WeakPolarHBondContact O-CD1 3Å; C284-L288 HydrophobicContact CB-CD1 3.9Å; L285-L288 HydrophobicContact CB-CD1 4.05Å; L285-L288 HydrophobicContact CB-CD2 4.27Å; L285-L288 HydrophobicContact CB-CG 4.17Å; L285-L288 VanDerWaalsContact O-CD1 3.29Å; L285-L288 WeakPolarHBondContact O-CD1 3.31Å; L285-L288 VanDerWaalsContact O-CG 3.22Å; L285-L288 WeakPolarHBondContact O-CG 3.08Å; P286-L288 VanDerWaalsContact C-N 3.33Å; P286-L288 PolarHBondContact O-N 2.91Å
289	G	40.3	Very low	43.1	Very low	57 Å²	57	66.9 Å²	66.9	59%	0.588	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	33.8	170.5	0	0	0	0	0	115	N287 R291	N287-G289 PolarHBondContact O-N 3.48Å; N287-G289 VanDerWaalsContact O-N 3.16Å; G289-R291 WeakPolarHBondContact O-CG 3.14Å; G289-R291 PolarHBondContact O-N 2.92Å; G289-R291 VanDerWaalsContact O-N 3.12Å
290	M	34.9	Very low	42.1	Very low	144 Å²	144	62 Å²	62	71%	0.709	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	21.5	177.5	-60.9	-162.1	-95.1	0	0	115	N292 L295	M290-N292 PolarHBondContact O-N 3.38Å; M290-L295 HydrophobicContact SD-CD1 4.14Å
291	R	38.4	Very low	41	Very low	107 Å²	107	62 Å²	62	40%	0.404	36%	0.359	S	S	.	.	S	Bend	trans	-87.8	107.8	177.3	-53.7	-173.8	176.5	-164.3	-9	109.3	Y81 G289 C293	Y81-R291 VanDerWaalsContact CB-CB 3.44Å; Y81-R291 HydrophobicContact CD1-CB 3.77Å; Y81-R291 WeakPolarHBondContact CD1-O 3.07Å; Y81-R291 HydrophobicContact CD2-CB 4.34Å; Y81-R291 HydrophobicContact CG-CB 3.58Å; Y81-R291 HydrophobicContact CG-CG 4.48Å; G289-R291 WeakPolarHBondContact O-CG 3.14Å; G289-R291 PolarHBondContact O-N 2.92Å; G289-R291 VanDerWaalsContact O-N 3.12Å; R291-C293 PolarHBondContact O-N 2.92Å
292	N	39.2	Very low	39.9	Very low	8 Å²	8	62.8 Å²	62.8	4%	0.043	36%	0.361	C	S	.	.	S	Bend	trans	54.4	16.9	173.6	-68.7	-20.8	0	0	0	117.8	Y81 M290 F301 N303 L305	Y81-N292 PolarHBondContact O-ND2 3.26Å; M290-N292 PolarHBondContact O-N 3.38Å; N292-F301 WeakPolarHBondContact CB-O 3.07Å; N292-N303 PolarHBondContact OD1-ND2 3.23Å; N292-L305 WeakPolarHBondContact ND2-CD1 3.43Å
293	C	37.9	Very low	39	Very low	22 Å²	22	60.7 Å²	60.7	15%	0.149	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-101.5	104.7	161.1	-60	0	0	0	0	106.1	C284 R291 L295	C284-C293 HydrophobicContact CB-CB 3.76Å; C284-C293 WeakPolarHBondContact CB-SG 3.39Å; C284-C293 WeakPolarHBondContact SG-CB 3.37Å; C284-C293 CovalentContact SG-SG 2.03Å; C284-C293 PolarHBondContact SG-SG 2.87Å; R291-C293 PolarHBondContact O-N 2.92Å; C293-L295 PolarHBondContact O-N 2.87Å
294	Q	33.3	Very low	38	Very low	12 Å²	12	58.7 Å²	58.7	6%	0.056	34%	0.34	C	S	.	.			trans	-62.7	125.4	177.2	-67.2	173.6	5.9	0	0	108.2	N119 G296 M297	N119-Q294 HydrophobicContact CB-CG 4.06Å; N119-Q294 WeakPolarHBondContact O-CG 3.42Å; N119-Q294 PolarHBondContact O-NE2 3.3Å; Q294-G296 PolarHBondContact O-N 3.46Å; Q294-M297 HydrophobicContact CB-CB 4.35Å; Q294-M297 PolarHBondContact O-N 3.09Å; Q294-M297 VanDerWaalsContact O-O 3.07Å
295	L	28.8	Very low	36.9	Very low	119 Å²	119	59.3 Å²	59.3	62%	0.623	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	122.6	164.3	-72.3	165.9	0	0	0	106.8	M290 C293 M297	M290-L295 HydrophobicContact SD-CD1 4.14Å; C293-L295 PolarHBondContact O-N 2.87Å; L295-M297 PolarHBondContact O-N 2.98Å
296	G	30.8	Very low	35.8	Very low	79 Å²	79	57.8 Å²	57.8	81%	0.814	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-17.7	176.9	0	0	0	0	0	116.7	Q294	Q294-G296 PolarHBondContact O-N 3.46Å
297	M	28.9	Very low	34.8	Very low	49 Å²	49	54.1 Å²	54.1	24%	0.241	31%	0.311	C	S	.	.			trans	-132.1	126	173.1	-70.4	-159.5	-52	0	0	112.8	T116 E117 N119 Q294 L295 T299	T116-M297 WeakPolarHBondContact O-CE 3.18Å; E117-M297 VanDerWaalsContact C-CE 3.44Å; E117-M297 WeakPolarHBondContact O-CE 3.44Å; N119-M297 HydrophobicContact CB-CE 4.47Å; Q294-M297 HydrophobicContact CB-CB 4.35Å; Q294-M297 PolarHBondContact O-N 3.09Å; Q294-M297 VanDerWaalsContact O-O 3.07Å; L295-M297 PolarHBondContact O-N 2.98Å; M297-T299 VanDerWaalsContact C-N 3.28Å; M297-T299 PolarHBondContact O-N 3.42Å; M297-T299 VanDerWaalsContact O-N 3.08Å
298	N	33.2	Very low	33.8	Very low	92 Å²	92	48.2 Å²	48.2	49%	0.492	28%	0.278	S	S	.	.			trans	-99.1	52.6	-150.5	-112.7	-3.4	0	0	0	108.4	C281 V282	C281-N298 CarbonylContact O-C 3.59Å; V282-N298 CarbonylContact C-O 3.53Å; V282-N298 VanDerWaalsContact C-O 3.27Å; V282-N298 WeakPolarHBondContact CA-O 3.45Å; V282-N298 CarbonylContact O-C 3.42Å; V282-N298 WeakPolarHBondContact O-CB 3.44Å; V282-N298 PolarHBondContact O-ND2 3.5Å; V282-N298 VanDerWaalsContact O-O 3.08Å; V282-N298 PolarHBondContact O-OD1 2.98Å
299	T	32	Very low	33	Very low	43 Å²	43	48.4 Å²	48.4	26%	0.264	28%	0.281	S	S	.	.			trans	-143.7	130	-179.5	-56.5	0	0	0	0	108.9	C281 M297 F301	C281-T299 WeakPolarHBondContact O-CA 3.37Å; M297-T299 VanDerWaalsContact C-N 3.28Å; M297-T299 PolarHBondContact O-N 3.42Å; M297-T299 VanDerWaalsContact O-N 3.08Å; T299-F301 HydrophobicContact CG2-CD2 4.46Å; T299-F301 HydrophobicContact CG2-CE2 4.01Å; T299-F301 HydrophobicContact CG2-CZ 4.16Å
300	I	32.4	Very low	32.7	Very low	15 Å²	15	48 Å²	48	8%	0.077	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-82.7	116.8	174.6	-66	175.3	0	0	0	108.2	V261 C281 C284	V261-I300 HydrophobicContact CG1-CB 4.09Å; V261-I300 HydrophobicContact CG1-CD1 3.18Å; V261-I300 HydrophobicContact CG1-CG1 4.2Å; V261-I300 HydrophobicContact CG1-CG2 3.81Å; C281-I300 HydrophobicContact CB-CB 4.11Å; C281-I300 HydrophobicContact CB-CD1 3.62Å; C281-I300 HydrophobicContact CB-CG1 3.76Å; C281-I300 WeakPolarHBondContact SG-CD1 3.44Å; C284-I300 VanDerWaalsContact SG-CD1 3.52Å; C284-I300 WeakPolarHBondContact SG-CG1 3.07Å
301	F	35.1	Very low	32.5	Very low	19 Å²	19	42.9 Å²	42.9	8%	0.083	24%	0.242	C	C	.	.			trans	-97	139.3	169.3	-72.6	-82.8	0	0	0	110.3	E117 Y118 N292 T299 N303	E117-F301 HydrophobicContact CB-CZ 4.25Å; E117-F301 WeakPolarHBondContact O-CE2 3.04Å; E117-F301 WeakPolarHBondContact O-CZ 3.5Å; Y118-F301 HydrophobicContact CD1-CD1 4.3Å; Y118-F301 AromaticContact CD1-CE1 3.86Å; Y118-F301 HydrophobicContact CD1-CE1 3.86Å; Y118-F301 HydrophobicContact CD1-CZ 4.04Å; Y118-F301 HydrophobicContact CE1-CD1 4.13Å; Y118-F301 AromaticContact CE1-CE1 3.5Å; Y118-F301 HydrophobicContact CE1-CE1 3.5Å; Y118-F301 VanDerWaalsContact CE1-CE1 3.5Å; Y118-F301 AromaticContact CE1-CZ 3.98Å; Y118-F301 HydrophobicContact CE1-CZ 3.98Å; N292-F301 WeakPolarHBondContact CB-O 3.07Å; T299-F301 HydrophobicContact CG2-CD2 4.46Å; T299-F301 HydrophobicContact CG2-CE2 4.01Å; T299-F301 HydrophobicContact CG2-CZ 4.16Å; F301-N303 PolarHBondContact O-N 3.46Å
302	F	32	Very low	32.2	Very low	26 Å²	26	39.4 Å²	39.4	11%	0.114	23%	0.234	C	C	.	.			trans	-77.5	85.4	160.8	-57.5	-101.9	0	0	0	106.7	I52 P57 P82 H258 V261 L304	I52-F302 VanDerWaalsContact CA-CD2 3.41Å; I52-F302 HydrophobicContact CB-CD2 3.43Å; I52-F302 VanDerWaalsContact CB-CD2 3.43Å; I52-F302 HydrophobicContact CB-CE2 4Å; I52-F302 HydrophobicContact CB-CG 4.39Å; I52-F302 HydrophobicContact CG2-CB 3.74Å; I52-F302 HydrophobicContact CG2-CD2 3.41Å; I52-F302 VanDerWaalsContact CG2-CD2 3.41Å; I52-F302 HydrophobicContact CG2-CE2 4.44Å; I52-F302 HydrophobicContact CG2-CG 3.97Å; P57-F302 HydrophobicContact CB-CD1 4.07Å; P57-F302 HydrophobicContact CB-CD2 4.33Å; P57-F302 HydrophobicContact CB-CE1 3.29Å; P57-F302 HydrophobicContact CB-CE2 3.55Å; P57-F302 HydrophobicContact CB-CZ 2.98Å; P57-F302 HydrophobicContact CG-CE1 4.08Å; P57-F302 HydrophobicContact CG-CE2 4.01Å; P57-F302 HydrophobicContact CG-CZ 3.39Å; P82-F302 HydrophobicContact CG-CE1 3.87Å; P82-F302 HydrophobicContact CG-CZ 4.35Å; H258-F302 HydrophobicContact CB-CD1 4.31Å; H258-F302 HydrophobicContact CB-CE1 3.67Å; H258-F302 AromaticContact CD2-CD1 3.57Å; H258-F302 AromaticContact CD2-CE1 3.82Å; H258-F302 AromaticContact CG-CD1 3.92Å; H258-F302 AromaticContact CG-CE1 3.77Å; V261-F302 HydrophobicContact CG2-CE1 4.29Å; V261-F302 HydrophobicContact CG2-CE2 3.93Å; V261-F302 HydrophobicContact CG2-CZ 3.36Å; F302-L304 PolarHBondContact O-N 3.04Å
303	N	34.9	Very low	31.8	Very low	14 Å²	14	41.2 Å²	41.2	8%	0.075	25%	0.245	C	C	.	.			trans	-61.9	133.8	168.2	-69.3	-32.7	0	0	0	107.6	L120 N292 F301 L305	L120-N303 HydrophobicContact CG-CB 4.48Å; L120-N303 WeakPolarHBondContact CG-OD1 3.42Å; N292-N303 PolarHBondContact OD1-ND2 3.23Å; F301-N303 PolarHBondContact O-N 3.46Å; N303-L305 VanDerWaalsContact C-N 3.26Å; N303-L305 PolarHBondContact O-N 3.06Å
304	L	33.7	Very low	31.4	Very low	38 Å²	38	42.4 Å²	42.4	20%	0.199	25%	0.251	C	S	.	.			trans	-42	102.3	152.2	-91.5	107.6	0	0	0	106.4	Y48 L60 I62 F302 S306	Y48-L304 HydrophobicContact CD2-CD1 3.79Å; Y48-L304 HydrophobicContact CG-CD1 4.38Å; L60-L304 HydrophobicContact CB-CD2 4.16Å; L60-L304 HydrophobicContact CB-CG 4.21Å; L60-L304 HydrophobicContact CD1-CD2 3.56Å; L60-L304 HydrophobicContact CD1-CG 4.02Å; L60-L304 HydrophobicContact CG-CD2 4.45Å; I62-L304 HydrophobicContact CD1-CD2 4.24Å; F302-L304 PolarHBondContact O-N 3.04Å; L304-S306 PolarHBondContact O-N 2.78Å; L304-S306 VanDerWaalsContact O-N 3.1Å
305	L	32.8	Very low	31.3	Very low	35 Å²	35	44.5 Å²	44.5	18%	0.183	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	90.5	-174	-111.1	150.3	0	0	0	105.6	L60 A61 I62 T80 N292 N303 I307	L60-L305 PolarHBondContact O-N 3.17Å; A61-L305 VanDerWaalsContact CA-O 3.3Å; A61-L305 WeakPolarHBondContact CA-O 3.32Å; I62-L305 PolarHBondContact N-O 2.97Å; T80-L305 HydrophobicContact CG2-CB 4.14Å; T80-L305 HydrophobicContact CG2-CD1 4.09Å; N292-L305 WeakPolarHBondContact ND2-CD1 3.43Å; N303-L305 VanDerWaalsContact C-N 3.26Å; N303-L305 PolarHBondContact O-N 3.06Å; L305-I307 VanDerWaalsContact C-N 3.27Å; L305-I307 HydrophobicContact CB-CG1 4.32Å; L305-I307 HydrophobicContact CD2-CD1 4.38Å; L305-I307 HydrophobicContact CD2-CG1 3.98Å; L305-I307 PolarHBondContact O-N 3.16Å
306	S	30.4	Very low	31.5	Very low	36 Å²	36	39.1 Å²	39.1	25%	0.252	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	87.8	168	-48	0	0	0	0	108.5	I62 L304 F308	I62-S306 CarbonylContact O-C 3.52Å; L304-S306 PolarHBondContact O-N 2.78Å; L304-S306 VanDerWaalsContact O-N 3.1Å; S306-F308 VanDerWaalsContact CB-CE2 3.41Å; S306-F308 PolarHBondContact O-N 2.6Å
307	I	28.7	Very low	31.5	Very low	14 Å²	14	36.1 Å²	36.1	7%	0.072	19%	0.194	C	C	.	.			trans	-87	78	172	-54.6	177.6	0	0	0	108.4	I62 T63 L79 T80 I126 I147 L305 T309	I62-I307 CarbonylContact O-C 3.57Å; I62-I307 WeakPolarHBondContact O-CA 3.3Å; I62-I307 PolarHBondContact O-N 3.09Å; T63-I307 WeakPolarHBondContact CA-O 3.42Å; T63-I307 WeakPolarHBondContact CB-O 3.36Å; L79-I307 HydrophobicContact CB-CD1 3.93Å; T80-I307 HydrophobicContact CG2-CD1 3.99Å; I126-I307 HydrophobicContact CD1-CG2 4.06Å; I147-I307 HydrophobicContact CD1-CG2 4.35Å; L305-I307 VanDerWaalsContact C-N 3.27Å; L305-I307 HydrophobicContact CB-CG1 4.32Å; L305-I307 HydrophobicContact CD2-CD1 4.38Å; L305-I307 HydrophobicContact CD2-CG1 3.98Å; L305-I307 PolarHBondContact O-N 3.16Å; I307-T309 HydrophobicContact CG2-CG2 4.38Å; I307-T309 PolarHBondContact O-N 3.37Å; I307-T309 PolarHBondContact O-OG1 2.8Å
308	F	25.9	Very low	31.8	Very low	42 Å²	42	35 Å²	35	18%	0.184	19%	0.19	C	C	.	.			trans	-61.6	123.2	169.1	-65.3	-103	0	0	0	108.6	W123 I147 Y251 S306	W123-F308 HydrophobicContact CE3-CD2 4.15Å; W123-F308 AromaticContact CH2-CD2 3.33Å; W123-F308 HydrophobicContact CH2-CD2 3.33Å; W123-F308 AromaticContact CH2-CE2 3.21Å; W123-F308 HydrophobicContact CH2-CE2 3.21Å; W123-F308 HydrophobicContact CH2-CG 4.16Å; W123-F308 HydrophobicContact CH2-CZ 4.01Å; W123-F308 HydrophobicContact CZ2-CE2 4.25Å; W123-F308 HydrophobicContact CZ3-CB 4.11Å; W123-F308 AromaticContact CZ3-CD2 3.06Å; W123-F308 HydrophobicContact CZ3-CD2 3.06Å; W123-F308 AromaticContact CZ3-CE2 3.52Å; W123-F308 HydrophobicContact CZ3-CE2 3.52Å; W123-F308 AromaticContact CZ3-CG 3.78Å; W123-F308 HydrophobicContact CZ3-CG 3.78Å; I147-F308 WeakPolarHBondContact CD1-O 3.37Å; I147-F308 WeakPolarHBondContact CG1-O 2.92Å; I147-F308 HydrophobicContact CG2-CB 3.82Å; I147-F308 WeakPolarHBondContact CG2-O 3.03Å; Y251-F308 HydrophobicContact CD1-CD1 4.4Å; Y251-F308 HydrophobicContact CD1-CE1 4.16Å; Y251-F308 AromaticContact CE1-CD1 3.63Å; Y251-F308 HydrophobicContact CE1-CD1 3.63Å; Y251-F308 AromaticContact CE1-CE1 3.26Å; Y251-F308 HydrophobicContact CE1-CE1 3.26Å; Y251-F308 HydrophobicContact CE1-CZ 4.33Å; Y251-F308 AromaticContact CZ-CE1 3.74Å; S306-F308 VanDerWaalsContact CB-CE2 3.41Å; S306-F308 PolarHBondContact O-N 2.6Å
309	T	29.9	Very low	31.6	Very low	46 Å²	46	29.8 Å²	29.8	28%	0.282	16%	0.162	S	C	.	.			trans	-130.4	0	179.4	9.7	0	0	0	0	111.6	T63 A64 K66 I126 I147 I307	T63-T309 PolarHBondContact OG1-OG1 2.84Å; A64-T309 WeakPolarHBondContact CB-O 3.44Å; K66-T309 PolarHBondContact NZ-OXT 3.5Å; I126-T309 HydrophobicContact CD1-CG2 3.13Å; I147-T309 HydrophobicContact CD1-CG2 4.46Å; I307-T309 HydrophobicContact CG2-CG2 4.38Å; I307-T309 PolarHBondContact O-N 3.37Å; I307-T309 PolarHBondContact O-OG1 2.8Å

Retrieved 309 of 309 residues in 76.9 ms (Link to these results)

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