A0A087YFQ2_POEFO Loading...

Chromosome 1 open reading frame 146

AlphaFold DB , UniProt , Accession A0A087YFQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 176 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	45.7	Very low	40	Very low	173 Å²	173	143 Å²	143	100%	1.123	82%	0.821	S	S	*	*				0	106.5	0	25.8	-4	0	0	0	111
2	L	37.8	Very low	41.3	Very low	162 Å²	162	143.7 Å²	143.7	85%	0.848	82%	0.817	S	S	*	*			trans	170.2	111.2	136.9	-88.7	158	0	0	0	109.6
3	L	37.5	Very low	43.3	Very low	146 Å²	146	139.2 Å²	139.2	76%	0.764	81%	0.808	S	S	*	*			trans	64.5	81.7	150.7	-71.5	141.1	0	0	0	118.6	M5	L3-M5 PolarHBondContact O-N 3.2Å
4	E	38.4	Very low	45.9	Very low	190 Å²	190	137.2 Å²	137.2	89%	0.888	79%	0.788	S	S	*	*			trans	-48.8	106.8	141.6	-164.3	171.7	-160.2	0	0	109.2	A6	E4-A6 PolarHBondContact O-N 3.5Å
5	M	40.3	Very low	48.7	Very low	173 Å²	173	131.2 Å²	131.2	85%	0.852	75%	0.747	S	S	*	*			trans	-72.5	96.4	168.6	-70.4	-140.8	-51.4	0	0	108	L3 T7	L3-M5 PolarHBondContact O-N 3.2Å; M5-T7 PolarHBondContact O-N 3.47Å
6	A	39.5	Very low	51.5	Low	92 Å²	92	129.9 Å²	129.9	76%	0.76	73%	0.731	S	S	*	*			trans	-55.9	106.1	165.9	0	0	0	0	0	108.6	E4	E4-A6 PolarHBondContact O-N 3.5Å
7	T	39.9	Very low	54	Low	122 Å²	122	122.7 Å²	122.7	75%	0.748	69%	0.69	S	S	*	*			trans	-61.9	126.8	162.4	45.3	0	0	0	0	106.5	M5 S9	M5-T7 PolarHBondContact O-N 3.47Å; T7-S9 PolarHBondContact O-N 2.98Å
8	P	39.5	Very low	56.3	Low	114 Å²	114	117.9 Å²	117.9	74%	0.74	66%	0.664	S	S	*	*			trans	-63.1	115.6	173.4	25	-28.3	0	0	0	105.8	E10	P8-E10 PolarHBondContact O-N 2.6Å
9	S	40.2	Very low	58.5	Low	106 Å²	106	111.7 Å²	111.7	74%	0.741	63%	0.629	S	S	*	*			trans	-62.5	85.2	162.6	43.4	0	0	0	0	106.4	T7 T11	T7-S9 PolarHBondContact O-N 2.98Å; S9-T11 PolarHBondContact O-N 3.47Å; S9-T11 PolarHBondContact O-OG1 2.8Å
10	E	39.5	Very low	60.5	Low	167 Å²	167	108.5 Å²	108.5	78%	0.78	61%	0.61	S	S	*	*			trans	-56.4	93.4	161.2	-86.4	-169.2	163.3	0	0	105.2	P8 I12	P8-E10 PolarHBondContact O-N 2.6Å; E10-I12 PolarHBondContact O-N 3.36Å
11	T	41.4	Very low	62.3	Low	128 Å²	128	103.3 Å²	103.3	79%	0.785	58%	0.581	S	S	*	*			trans	-58.8	103.2	164.2	-30.3	0	0	0	0	102.7	S9 A13	S9-T11 PolarHBondContact O-N 3.47Å; S9-T11 PolarHBondContact O-OG1 2.8Å; T11-A13 PolarHBondContact O-N 3.1Å
12	I	56.1	Low	64.8	Low	151 Å²	151	95.3 Å²	95.3	77%	0.774	53%	0.529	S	S	*	.			trans	-57.8	99.3	-178.1	-62.1	173.2	0	0	0	105	E10 Q14	E10-I12 PolarHBondContact O-N 3.36Å; I12-Q14 PolarHBondContact O-N 2.87Å
13	A	66.4	Low	67.6	Low	85 Å²	85	89 Å²	89	70%	0.702	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-58.2	120	-175.2	0	0	0	0	0	106.5	T11 W15	T11-A13 PolarHBondContact O-N 3.1Å; A13-W15 PolarHBondContact O-N 2.89Å
14	Q	80.1	Confident	70.3	Confident	112 Å²	112	85.8 Å²	85.8	52%	0.523	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-57.5	118.3	-179.7	-174.7	175	7	0	0	107.5	I12 K16 Q37	I12-Q14 PolarHBondContact O-N 2.87Å; Q14-K16 PolarHBondContact O-N 3.16Å; Q14-Q37 PolarHBondContact NE2-O 3.32Å
15	W	88.8	Confident	73.1	Confident	47 Å²	47	77.5 Å²	77.5	18%	0.178	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-64.7	119.8	-177.4	175	77.7	0	0	0	109.1	A13 T17 H39 L137 A140 K141 H147	A13-W15 PolarHBondContact O-N 2.89Å; W15-T17 HydrophobicContact CH2-CG2 3.58Å; W15-T17 HydrophobicContact CZ2-CG2 4Å; W15-T17 HydrophobicContact CZ3-CG2 3.95Å; W15-H39 AromaticContact CE3-CE1 3.95Å; W15-H39 PolarHBondContact O-CE1 3.4Å; W15-H39 VanDerWaalsContact O-CE1 3.23Å; W15-L137 HydrophobicContact CH2-CD2 4.44Å; W15-L137 HydrophobicContact CZ3-CB 4.28Å; W15-L137 HydrophobicContact CZ3-CD2 3.66Å; W15-A140 HydrophobicContact CH2-CB 3.97Å; W15-K141 HydrophobicContact CB-CD 4.09Å; W15-K141 HydrophobicContact CD2-CB 4Å; W15-K141 HydrophobicContact CD2-CD 3.99Å; W15-K141 HydrophobicContact CD2-CG 3.82Å; W15-K141 HydrophobicContact CE3-CB 3.95Å; W15-K141 HydrophobicContact CE3-CD 4.13Å; W15-K141 HydrophobicContact CE3-CG 4.17Å; W15-K141 HydrophobicContact CG-CD 3.96Å; W15-K141 HydrophobicContact CG-CG 4.02Å; W15-K141 HydrophobicContact CH2-CB 3.95Å; W15-K141 HydrophobicContact CZ2-CB 4.02Å; W15-K141 HydrophobicContact CZ2-CG 4.47Å; W15-K141 HydrophobicContact CZ3-CB 3.91Å; W15-H147 AromaticContact CD1-CD2 3.87Å; W15-H147 AromaticContact CD1-NE2 3.37Å; W15-H147 AromaticContact NE1-CD2 3.93Å; W15-H147 AromaticContact NE1-NE2 3.92Å
16	K	92.1	Very high	75.6	Confident	110 Å²	110	74.6 Å²	74.6	48%	0.478	43%	0.434	S	S	.	.			trans	-114.7	147.6	178.4	-68.5	178.6	-176.8	-175	0	109.5	Q14 Q38	Q14-K16 PolarHBondContact O-N 3.16Å; K16-Q38 HydrophobicContact CD-CB 4.5Å; K16-Q38 VanDerWaalsContact CE-OE1 3.25Å
17	T	94.4	Very high	78.1	Confident	8 Å²	8	77.2 Å²	77.2	5%	0.049	44%	0.436	C	S	.	.			trans	-148.9	165.8	-179.5	-168.9	0	0	0	0	109.8	W15 I19 H39 R40 F54	W15-T17 HydrophobicContact CH2-CG2 3.58Å; W15-T17 HydrophobicContact CZ2-CG2 4Å; W15-T17 HydrophobicContact CZ3-CG2 3.95Å; T17-I19 HydrophobicContact CG2-CD1 4.41Å; T17-I19 HydrophobicContact CG2-CG1 3.98Å; T17-H39 PolarHBondContact N-ND1 3.1Å; T17-R40 PolarHBondContact O-N 2.79Å; T17-F54 HydrophobicContact CG2-CD1 3.84Å; T17-F54 HydrophobicContact CG2-CE1 3.95Å
18	T	96.4	Very high	80.7	Confident	36 Å²	36	74 Å²	74	22%	0.221	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.6	169	-58.4	0	0	0	0	109	R40 R42 P55	T18-R40 CarbonylContact C-O 3.51Å; T18-R40 VanDerWaalsContact CA-O 3.25Å; T18-R40 WeakPolarHBondContact CA-O 3.28Å; T18-R40 HydrophobicContact CG2-CB 4.45Å; T18-R40 HydrophobicContact CG2-CG 4.35Å; T18-R42 HydrophobicContact CG2-CG 4.34Å; T18-P55 VanDerWaalsContact O-CD 3.27Å; T18-P55 WeakPolarHBondContact O-CD 3.25Å
19	I	97.8	Very high	83.2	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.4	179.8	-45.6	175.3	0	0	0	107.2	T17 I21 L34 H39 R40 I41 R42 F52 I53 F54 L137	T17-I19 HydrophobicContact CG2-CD1 4.41Å; T17-I19 HydrophobicContact CG2-CG1 3.98Å; I19-I21 HydrophobicContact CB-CG1 4.37Å; I19-I21 HydrophobicContact CG2-CD1 4.19Å; I19-I21 HydrophobicContact CG2-CG1 3.75Å; I19-L34 HydrophobicContact CD1-CB 4.35Å; I19-L34 HydrophobicContact CD1-CD1 3.88Å; I19-L34 HydrophobicContact CD1-CD2 3.82Å; I19-L34 HydrophobicContact CD1-CG 4.23Å; I19-H39 HydrophobicContact CD1-CB 3.94Å; I19-H39 HydrophobicContact CG1-CB 4.47Å; I19-R40 PolarHBondContact N-O 3.06Å; I19-I41 WeakPolarHBondContact O-CA 3.45Å; I19-R42 PolarHBondContact O-N 2.9Å; I19-F52 HydrophobicContact CG2-CB 4.48Å; I19-I53 WeakPolarHBondContact CA-O 3.4Å; I19-F54 HydrophobicContact CD1-CD1 4.47Å; I19-F54 HydrophobicContact CD1-CE1 3.56Å; I19-F54 HydrophobicContact CD1-CZ 3.78Å; I19-F54 HydrophobicContact CG1-CD1 3.99Å; I19-F54 HydrophobicContact CG1-CE1 3.57Å; I19-F54 HydrophobicContact CG1-CZ 4.04Å; I19-F54 HydrophobicContact CG2-CD2 4.45Å; I19-F54 HydrophobicContact CG2-CE1 4.29Å; I19-F54 HydrophobicContact CG2-CE2 4.08Å; I19-F54 HydrophobicContact CG2-CZ 4Å; I19-L137 HydrophobicContact CD1-CD2 4.46Å
20	I	98.1	Very high	85.7	Confident	47 Å²	47	67.1 Å²	67.1	24%	0.241	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.6	170.9	-54.3	170.3	0	0	0	106.6	R42 V47 F52 I53 P55	I20-R42 CarbonylContact C-O 3.53Å; I20-R42 VanDerWaalsContact CA-O 3.3Å; I20-R42 WeakPolarHBondContact CA-O 3.27Å; I20-V47 HydrophobicContact CG2-CG1 4.23Å; I20-F52 CarbonylContact O-C 3.56Å; I20-I53 HydrophobicContact CB-CB 4.21Å; I20-I53 PolarHBondContact N-O 2.97Å; I20-I53 PolarHBondContact O-N 3.49Å; I20-P55 HydrophobicContact CD1-CG 3.77Å; I20-P55 HydrophobicContact CG1-CG 4.12Å
21	I	98.1	Very high	88.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140	-174.8	-50.9	-175.8	0	0	0	108.1	I19 S23 L25 L34 I41 R42 F43 S44 A51 F52	I19-I21 HydrophobicContact CB-CG1 4.37Å; I19-I21 HydrophobicContact CG2-CD1 4.19Å; I19-I21 HydrophobicContact CG2-CG1 3.75Å; I21-S23 PolarHBondContact O-N 2.98Å; I21-L25 HydrophobicContact CG2-CB 3.87Å; I21-L25 HydrophobicContact CG2-CD1 4.1Å; I21-L34 HydrophobicContact CD1-CD1 4.12Å; I21-I41 HydrophobicContact CD1-CB 4.49Å; I21-I41 HydrophobicContact CD1-CD1 4.42Å; I21-I41 HydrophobicContact CD1-CG1 4.1Å; I21-I41 HydrophobicContact CD1-CG2 3.64Å; I21-I41 HydrophobicContact CG1-CG2 4.12Å; I21-R42 PolarHBondContact N-O 3.27Å; I21-F43 HydrophobicContact CB-CD1 4.02Å; I21-F43 HydrophobicContact CB-CE1 4.05Å; I21-F43 HydrophobicContact CG2-CD1 4.38Å; I21-F43 HydrophobicContact CG2-CE1 4.19Å; I21-F43 CarbonylContact O-C 3.5Å; I21-F43 VanDerWaalsContact O-CA 3.27Å; I21-F43 WeakPolarHBondContact O-CA 3.42Å; I21-S44 PolarHBondContact O-N 3.39Å; I21-A51 WeakPolarHBondContact CA-O 3.27Å; I21-F52 HydrophobicContact CB-CD1 4.4Å; I21-F52 HydrophobicContact CD1-CD1 3.87Å; I21-F52 HydrophobicContact CD1-CE1 3.97Å; I21-F52 HydrophobicContact CG1-CD1 3.83Å; I21-F52 HydrophobicContact CG1-CE1 4.32Å; I21-F52 HydrophobicContact CG2-CD1 3.86Å; I21-F52 HydrophobicContact CG2-CE1 3.83Å
22	S	97.6	Very high	90.7	Very high	5 Å²	5	61.7 Å²	61.7	4%	0.035	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	133.6	168.2	172.5	0	0	0	0	110.5	S24 L25 S44 E48 A49 A51	S22-S24 PolarHBondContact O-N 3.07Å; S22-S24 VanDerWaalsContact O-N 3.1Å; S22-S24 WeakPolarHBondContact OG-CB 2.94Å; S22-S24 PolarHBondContact OG-N 2.96Å; S22-S24 VanDerWaalsContact OG-N 3.16Å; S22-S24 PolarHBondContact OG-OG 3.41Å; S22-L25 PolarHBondContact O-N 2.89Å; S22-S44 WeakPolarHBondContact CA-O 3.48Å; S22-E48 WeakPolarHBondContact CB-O 3.03Å; S22-A49 WeakPolarHBondContact OG-CA 3.08Å; S22-A51 PolarHBondContact N-O 2.84Å
23	S	96.9	Very high	92.5	Very high	30 Å²	30	56.7 Å²	56.7	21%	0.21	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-58	-24.4	174.2	-50.8	0	0	0	0	112.6	I21 L25 Q26 S44 D45	I21-S23 PolarHBondContact O-N 2.98Å; S23-L25 PolarHBondContact O-N 3.03Å; S23-Q26 WeakPolarHBondContact O-CB 3.46Å; S23-Q26 PolarHBondContact O-N 2.89Å; S23-Q26 VanDerWaalsContact O-N 3.07Å; S23-S44 PolarHBondContact N-O 3.2Å; S23-S44 VanDerWaalsContact N-O 3.1Å; S23-S44 VanDerWaalsContact OG-C 3.24Å; S23-S44 PolarHBondContact OG-O 3.13Å; S23-D45 WeakPolarHBondContact CB-OD1 3.48Å; S23-D45 PolarHBondContact OG-N 3.37Å; S23-D45 PolarHBondContact OG-OD1 3.19Å
24	S	95.8	Very high	93.8	Very high	79 Å²	79	52.7 Å²	52.7	55%	0.552	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-58.3	-18.5	173.9	77.4	0	0	0	0	113.8	S22 G50	S22-S24 PolarHBondContact O-N 3.07Å; S22-S24 VanDerWaalsContact O-N 3.1Å; S22-S24 WeakPolarHBondContact OG-CB 2.94Å; S22-S24 PolarHBondContact OG-N 2.96Å; S22-S24 VanDerWaalsContact OG-N 3.16Å; S22-S24 PolarHBondContact OG-OG 3.41Å; S24-G50 PolarHBondContact OG-N 3.08Å
25	L	95.3	Very high	94.3	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.079	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-106.7	11.4	-179.4	-64.9	176.3	0	0	0	113.3	I21 S22 S23 N27 H28 C31 F52 L63	I21-L25 HydrophobicContact CG2-CB 3.87Å; I21-L25 HydrophobicContact CG2-CD1 4.1Å; S22-L25 PolarHBondContact O-N 2.89Å; S23-L25 PolarHBondContact O-N 3.03Å; L25-N27 PolarHBondContact O-N 2.74Å; L25-N27 VanDerWaalsContact O-N 3.08Å; L25-H28 HydrophobicContact CB-CB 4.15Å; L25-H28 HydrophobicContact CD2-CB 4.16Å; L25-H28 VanDerWaalsContact O-CB 3.26Å; L25-H28 WeakPolarHBondContact O-CB 3.34Å; L25-H28 PolarHBondContact O-N 3.25Å; L25-C31 PolarHBondContact O-SG 3.45Å; L25-F52 HydrophobicContact CD1-CD2 4.04Å; L25-F52 HydrophobicContact CD1-CE1 4.15Å; L25-F52 HydrophobicContact CD1-CE2 3.32Å; L25-F52 HydrophobicContact CD1-CZ 3.4Å; L25-F52 VanDerWaalsContact CD1-CZ 3.4Å; L25-L63 HydrophobicContact CD2-CD2 4.12Å
26	Q	93.7	Very high	94.5	Very high	112 Å²	112	52.2 Å²	52.2	52%	0.523	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.5	-174.3	-172.1	173.7	15.9	0	0	113.6	S23 F43	S23-Q26 WeakPolarHBondContact O-CB 3.46Å; S23-Q26 PolarHBondContact O-N 2.89Å; S23-Q26 VanDerWaalsContact O-N 3.07Å; Q26-F43 HydrophobicContact CB-CD1 4.24Å; Q26-F43 HydrophobicContact CB-CE1 4.04Å; Q26-F43 HydrophobicContact CB-CZ 4.29Å; Q26-F43 HydrophobicContact CG-CD1 4.41Å; Q26-F43 HydrophobicContact CG-CD2 4.28Å; Q26-F43 HydrophobicContact CG-CE1 4.13Å; Q26-F43 HydrophobicContact CG-CE2 3.99Å; Q26-F43 HydrophobicContact CG-CG 4.48Å; Q26-F43 HydrophobicContact CG-CZ 3.9Å
27	N	92.5	Very high	94.5	Very high	147 Å²	147	50.4 Å²	50.4	79%	0.786	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	2.8	180	-62.5	-37.4	0	0	0	114.1	L25	L25-N27 PolarHBondContact O-N 2.74Å; L25-N27 VanDerWaalsContact O-N 3.08Å
28	H	93.4	Very high	94.4	Very high	56 Å²	56	55.5 Å²	55.5	26%	0.259	30%	0.301	S	S	.	.			trans	-73	139.3	-178.2	-162.6	-86.8	0	0	0	111.4	L25 T30 C31 D129	L25-H28 HydrophobicContact CB-CB 4.15Å; L25-H28 HydrophobicContact CD2-CB 4.16Å; L25-H28 VanDerWaalsContact O-CB 3.26Å; L25-H28 WeakPolarHBondContact O-CB 3.34Å; L25-H28 PolarHBondContact O-N 3.25Å; H28-T30 PolarHBondContact CE1-OG1 2.62Å; H28-T30 WeakPolarHBondContact ND1-CB 3.3Å; H28-T30 PolarHBondContact ND1-N 3.3Å; H28-T30 PolarHBondContact ND1-OG1 2.8Å; H28-T30 PolarHBondContact O-N 3.18Å; H28-C31 VanDerWaalsContact O-CB 3.28Å; H28-C31 WeakPolarHBondContact O-CB 3.47Å; H28-C31 PolarHBondContact O-N 3.07Å; H28-D129 IonicContact CE1-OD1 3.68Å; H28-D129 PolarHBondContact CE1-OD1 3.22Å; H28-D129 IonicContact ND1-OD1 3.38Å; H28-D129 PolarHBondContact ND1-OD1 3.25Å
29	D	92	Very high	94.3	Very high	75 Å²	75	54.5 Å²	54.5	40%	0.401	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-28	-173.7	-83.6	-32.7	0	0	0	113.6	C31 R32 T33 D129	D29-C31 PolarHBondContact O-N 3.03Å; D29-R32 WeakPolarHBondContact O-CB 3.36Å; D29-R32 PolarHBondContact O-N 3.23Å; D29-R32 WeakPolarHBondContact OD1-CD 3.25Å; D29-R32 IonicContact OD1-CZ 3.57Å; D29-R32 IonicContact OD1-NE 3.79Å; D29-R32 IonicContact OD1-NH1 2.8Å; D29-R32 PolarHBondContact OD1-NH1 3.14Å; D29-T33 PolarHBondContact O-N 2.75Å; D29-T33 VanDerWaalsContact O-N 3.1Å; D29-T33 PolarHBondContact O-OG1 3.44Å; D29-D129 HydrophobicContact CB-CB 4.5Å
30	T	93.2	Very high	94.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-51.3	-39.2	168.1	-63.1	0	0	0	0	112.5	H28 R32 T33 L34 F52 D129 I132 A133 M136	H28-T30 PolarHBondContact CE1-OG1 2.62Å; H28-T30 WeakPolarHBondContact ND1-CB 3.3Å; H28-T30 PolarHBondContact ND1-N 3.3Å; H28-T30 PolarHBondContact ND1-OG1 2.8Å; H28-T30 PolarHBondContact O-N 3.18Å; T30-R32 VanDerWaalsContact C-N 3.34Å; T30-R32 PolarHBondContact O-N 3.26Å; T30-T33 PolarHBondContact O-N 3.19Å; T30-L34 HydrophobicContact CG2-CD1 3.96Å; T30-L34 HydrophobicContact CG2-CG 4.31Å; T30-L34 VanDerWaalsContact O-CG 3.28Å; T30-L34 WeakPolarHBondContact O-CG 3.26Å; T30-L34 PolarHBondContact O-N 2.77Å; T30-F52 HydrophobicContact CG2-CE1 3.87Å; T30-F52 HydrophobicContact CG2-CZ 3.87Å; T30-D129 PolarHBondContact N-OD1 3.39Å; T30-D129 PolarHBondContact OG1-OD1 2.96Å; T30-I132 HydrophobicContact CG2-CB 4.48Å; T30-I132 HydrophobicContact CG2-CG2 3.73Å; T30-A133 HydrophobicContact CG2-CB 4.41Å; T30-M136 HydrophobicContact CG2-CE 3.69Å
31	C	93.3	Very high	94.2	Very high	6 Å²	6	61 Å²	61	4%	0.041	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-36.9	178.4	-67.1	0	0	0	0	112.3	L25 H28 D29 S35 I41	L25-C31 PolarHBondContact O-SG 3.45Å; H28-C31 VanDerWaalsContact O-CB 3.28Å; H28-C31 WeakPolarHBondContact O-CB 3.47Å; H28-C31 PolarHBondContact O-N 3.07Å; D29-C31 PolarHBondContact O-N 3.03Å; C31-S35 WeakPolarHBondContact O-CB 3.46Å; C31-S35 PolarHBondContact O-N 2.89Å; C31-S35 PolarHBondContact O-OG 3.45Å; C31-I41 WeakPolarHBondContact O-CD1 3.46Å
32	R	92.7	Very high	94.1	Very high	174 Å²	174	66.9 Å²	66.9	66%	0.657	34%	0.339	S	S	*	.	H	α-helix	trans	-66	-42.2	175.4	-63.2	176.2	174.4	166.5	-7.6	111	D29 T30 S35 A36	D29-R32 WeakPolarHBondContact O-CB 3.36Å; D29-R32 PolarHBondContact O-N 3.23Å; D29-R32 WeakPolarHBondContact OD1-CD 3.25Å; D29-R32 IonicContact OD1-CZ 3.57Å; D29-R32 IonicContact OD1-NE 3.79Å; D29-R32 IonicContact OD1-NH1 2.8Å; D29-R32 PolarHBondContact OD1-NH1 3.14Å; T30-R32 VanDerWaalsContact C-N 3.34Å; T30-R32 PolarHBondContact O-N 3.26Å; R32-S35 PolarHBondContact O-N 3.3Å; R32-A36 WeakPolarHBondContact O-CB 3.44Å; R32-A36 PolarHBondContact O-N 3.35Å
33	T	93.2	Very high	94.1	Very high	47 Å²	47	70.4 Å²	70.4	29%	0.288	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-45.4	177.9	-61.1	0	0	0	0	111.4	D29 T30 S35 A36 Q37 A133	D29-T33 PolarHBondContact O-N 2.75Å; D29-T33 VanDerWaalsContact O-N 3.1Å; D29-T33 PolarHBondContact O-OG1 3.44Å; T30-T33 PolarHBondContact O-N 3.19Å; T33-S35 VanDerWaalsContact C-N 3.33Å; T33-S35 PolarHBondContact O-N 2.95Å; T33-A36 PolarHBondContact O-N 3.32Å; T33-Q37 WeakPolarHBondContact O-CG 3.49Å; T33-Q37 PolarHBondContact O-N 3.46Å; T33-A133 HydrophobicContact CG2-CB 3.74Å
34	L	93.7	Very high	94.1	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-38.5	176.5	-67.5	172.6	0	0	0	112.1	I19 I21 T30 Q37 H39 I41 F52 A133 M136 L137	I19-L34 HydrophobicContact CD1-CB 4.35Å; I19-L34 HydrophobicContact CD1-CD1 3.88Å; I19-L34 HydrophobicContact CD1-CD2 3.82Å; I19-L34 HydrophobicContact CD1-CG 4.23Å; I21-L34 HydrophobicContact CD1-CD1 4.12Å; T30-L34 HydrophobicContact CG2-CD1 3.96Å; T30-L34 HydrophobicContact CG2-CG 4.31Å; T30-L34 VanDerWaalsContact O-CG 3.28Å; T30-L34 WeakPolarHBondContact O-CG 3.26Å; T30-L34 PolarHBondContact O-N 2.77Å; L34-Q37 PolarHBondContact O-N 2.79Å; L34-H39 PolarHBondContact O-CD2 3.44Å; L34-H39 PolarHBondContact O-N 3.42Å; L34-I41 HydrophobicContact CB-CD1 3.88Å; L34-F52 HydrophobicContact CD1-CD1 4.32Å; L34-F52 HydrophobicContact CD1-CE1 4.19Å; L34-A133 HydrophobicContact CD2-CB 4.19Å; L34-M136 HydrophobicContact CD1-CE 4.14Å; L34-L137 HydrophobicContact CD2-CD1 3.86Å; L34-L137 HydrophobicContact CD2-CD2 3.97Å; L34-L137 HydrophobicContact CD2-CG 3.95Å
35	S	91.9	Very high	94.1	Very high	66 Å²	66	73.2 Å²	73.2	46%	0.462	36%	0.363	S	S	.	.	H	α-helix	trans	-65.4	-44.7	175.7	-58.3	0	0	0	0	112	C31 R32 T33 Q37 Q38 I41	C31-S35 WeakPolarHBondContact O-CB 3.46Å; C31-S35 PolarHBondContact O-N 2.89Å; C31-S35 PolarHBondContact O-OG 3.45Å; R32-S35 PolarHBondContact O-N 3.3Å; T33-S35 VanDerWaalsContact C-N 3.33Å; T33-S35 PolarHBondContact O-N 2.95Å; S35-Q37 PolarHBondContact O-N 3.45Å; S35-Q38 WeakPolarHBondContact O-CA 3.12Å; S35-Q38 PolarHBondContact O-N 3.18Å; S35-I41 WeakPolarHBondContact OG-CD1 3.42Å
36	A	92.5	Very high	94.1	Very high	83 Å²	83	78.1 Å²	78.1	69%	0.686	40%	0.399	S	S	*	.	H	α-helix	trans	-61.2	-29.7	179.3	0	0	0	0	0	112.2	R32 T33 Q38	R32-A36 WeakPolarHBondContact O-CB 3.44Å; R32-A36 PolarHBondContact O-N 3.35Å; T33-A36 PolarHBondContact O-N 3.32Å; A36-Q38 PolarHBondContact O-N 2.96Å
37	Q	91.9	Very high	94.1	Very high	72 Å²	72	74.2 Å²	74.2	34%	0.336	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	9.5	173.8	-65.4	-178.5	2.9	0	0	113.9	Q14 T33 L34 S35 H39	Q14-Q37 PolarHBondContact NE2-O 3.32Å; T33-Q37 WeakPolarHBondContact O-CG 3.49Å; T33-Q37 PolarHBondContact O-N 3.46Å; L34-Q37 PolarHBondContact O-N 2.79Å; S35-Q37 PolarHBondContact O-N 3.45Å; Q37-H39 VanDerWaalsContact C-N 3.28Å; Q37-H39 PolarHBondContact O-N 2.96Å
38	Q	92.2	Very high	94.3	Very high	115 Å²	115	70 Å²	70	54%	0.537	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	27.8	176.6	-53.6	-177.3	-24.6	0	0	114.4	K16 S35 A36	K16-Q38 HydrophobicContact CD-CB 4.5Å; K16-Q38 VanDerWaalsContact CE-OE1 3.25Å; S35-Q38 WeakPolarHBondContact O-CA 3.12Å; S35-Q38 PolarHBondContact O-N 3.18Å; A36-Q38 PolarHBondContact O-N 2.96Å
39	H	94.6	Very high	94.3	Very high	16 Å²	16	69.3 Å²	69.3	7%	0.074	36%	0.362	C	S	.	.			trans	-75.2	148.6	167.8	-63	-65.3	0	0	0	110.7	W15 T17 I19 L34 Q37 I41 L137	W15-H39 AromaticContact CE3-CE1 3.95Å; W15-H39 PolarHBondContact O-CE1 3.4Å; W15-H39 VanDerWaalsContact O-CE1 3.23Å; T17-H39 PolarHBondContact N-ND1 3.1Å; I19-H39 HydrophobicContact CD1-CB 3.94Å; I19-H39 HydrophobicContact CG1-CB 4.47Å; L34-H39 PolarHBondContact O-CD2 3.44Å; L34-H39 PolarHBondContact O-N 3.42Å; Q37-H39 VanDerWaalsContact C-N 3.28Å; Q37-H39 PolarHBondContact O-N 2.96Å; H39-I41 PolarHBondContact O-N 3.23Å; H39-L137 WeakPolarHBondContact NE2-CD2 3.27Å
40	R	96	Very high	94.5	Very high	149 Å²	149	66 Å²	66	56%	0.562	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	109.7	177.1	-177	179.4	-177	172.6	4.3	109.5	T17 T18 I19 R42	T17-R40 PolarHBondContact O-N 2.79Å; T18-R40 CarbonylContact C-O 3.51Å; T18-R40 VanDerWaalsContact CA-O 3.25Å; T18-R40 WeakPolarHBondContact CA-O 3.28Å; T18-R40 HydrophobicContact CG2-CB 4.45Å; T18-R40 HydrophobicContact CG2-CG 4.35Å; I19-R40 PolarHBondContact N-O 3.06Å; R40-R42 VanDerWaalsContact CZ-NH2 3.26Å; R40-R42 VanDerWaalsContact NH2-NH2 3.13Å
41	I	96.8	Very high	94.7	Very high	35 Å²	35	66 Å²	66	18%	0.179	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	138.9	178.6	-66.3	161.6	0	0	0	110.2	I19 I21 C31 L34 S35 H39 F43	I19-I41 WeakPolarHBondContact O-CA 3.45Å; I21-I41 HydrophobicContact CD1-CB 4.49Å; I21-I41 HydrophobicContact CD1-CD1 4.42Å; I21-I41 HydrophobicContact CD1-CG1 4.1Å; I21-I41 HydrophobicContact CD1-CG2 3.64Å; I21-I41 HydrophobicContact CG1-CG2 4.12Å; C31-I41 WeakPolarHBondContact O-CD1 3.46Å; L34-I41 HydrophobicContact CB-CD1 3.88Å; S35-I41 WeakPolarHBondContact OG-CD1 3.42Å; H39-I41 PolarHBondContact O-N 3.23Å; I41-F43 HydrophobicContact CG2-CD2 4.36Å; I41-F43 HydrophobicContact CG2-CE1 4.05Å; I41-F43 HydrophobicContact CG2-CE2 3.83Å; I41-F43 HydrophobicContact CG2-CZ 3.66Å
42	R	97.4	Very high	95	Very high	122 Å²	122	65.7 Å²	65.7	46%	0.46	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.6	169.4	-62.8	-175.1	-179.1	-169.5	0.2	108.3	T18 I19 I20 I21 R40	T18-R42 HydrophobicContact CG2-CG 4.34Å; I19-R42 PolarHBondContact O-N 2.9Å; I20-R42 CarbonylContact C-O 3.53Å; I20-R42 VanDerWaalsContact CA-O 3.3Å; I20-R42 WeakPolarHBondContact CA-O 3.27Å; I21-R42 PolarHBondContact N-O 3.27Å; R40-R42 VanDerWaalsContact CZ-NH2 3.26Å; R40-R42 VanDerWaalsContact NH2-NH2 3.13Å
43	F	97.6	Very high	95.2	Very high	80 Å²	80	58.5 Å²	58.5	35%	0.351	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	149.7	173.1	-63	-73.4	0	0	0	110.6	I21 Q26 I41	I21-F43 HydrophobicContact CB-CD1 4.02Å; I21-F43 HydrophobicContact CB-CE1 4.05Å; I21-F43 HydrophobicContact CG2-CD1 4.38Å; I21-F43 HydrophobicContact CG2-CE1 4.19Å; I21-F43 CarbonylContact O-C 3.5Å; I21-F43 VanDerWaalsContact O-CA 3.27Å; I21-F43 WeakPolarHBondContact O-CA 3.42Å; Q26-F43 HydrophobicContact CB-CD1 4.24Å; Q26-F43 HydrophobicContact CB-CE1 4.04Å; Q26-F43 HydrophobicContact CB-CZ 4.29Å; Q26-F43 HydrophobicContact CG-CD1 4.41Å; Q26-F43 HydrophobicContact CG-CD2 4.28Å; Q26-F43 HydrophobicContact CG-CE1 4.13Å; Q26-F43 HydrophobicContact CG-CE2 3.99Å; Q26-F43 HydrophobicContact CG-CG 4.48Å; Q26-F43 HydrophobicContact CG-CZ 3.9Å; I41-F43 HydrophobicContact CG2-CD2 4.36Å; I41-F43 HydrophobicContact CG2-CE1 4.05Å; I41-F43 HydrophobicContact CG2-CE2 3.83Å; I41-F43 HydrophobicContact CG2-CZ 3.66Å
44	S	97.2	Very high	95.4	Very high	29 Å²	29	56.3 Å²	56.3	20%	0.203	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	137.1	179.1	-175.2	0	0	0	0	110.8	I21 S22 S23 S46	I21-S44 PolarHBondContact O-N 3.39Å; S22-S44 WeakPolarHBondContact CA-O 3.48Å; S23-S44 PolarHBondContact N-O 3.2Å; S23-S44 VanDerWaalsContact N-O 3.1Å; S23-S44 VanDerWaalsContact OG-C 3.24Å; S23-S44 PolarHBondContact OG-O 3.13Å; S44-S46 PolarHBondContact OG-N 3.36Å
45	D	95.9	Very high	95.5	Very high	138 Å²	138	59.5 Å²	59.5	74%	0.738	33%	0.325	S	S	*	.	S	Bend	trans	-87.8	-9.9	170.8	-57.4	-44.3	0	0	0	112.3	S23 V47	S23-D45 WeakPolarHBondContact CB-OD1 3.48Å; S23-D45 PolarHBondContact OG-N 3.37Å; S23-D45 PolarHBondContact OG-OD1 3.19Å; D45-V47 VanDerWaalsContact C-N 3.29Å; D45-V47 PolarHBondContact O-N 3.38Å
46	S	93.6	Very high	95.5	Very high	119 Å²	119	62.2 Å²	62.2	83%	0.832	33%	0.334	S	S	*	.	S	Bend	trans	-85.3	1	-178	-48	0	0	0	0	113.9	S44	S44-S46 PolarHBondContact OG-N 3.36Å
47	V	95.2	Very high	95.5	Very high	29 Å²	29	59 Å²	59	18%	0.176	31%	0.306	C	S	.	.	S	Bend	trans	-108.8	157	177.7	-56.7	0	0	0	0	108.9	I20 D45 A49 A51 I53	I20-V47 HydrophobicContact CG2-CG1 4.23Å; D45-V47 VanDerWaalsContact C-N 3.29Å; D45-V47 PolarHBondContact O-N 3.38Å; V47-A49 PolarHBondContact O-N 3.36Å; V47-A51 HydrophobicContact CB-CB 4.5Å; V47-A51 HydrophobicContact CG2-CB 4.36Å; V47-I53 HydrophobicContact CB-CD1 4.01Å; V47-I53 HydrophobicContact CG1-CD1 3.43Å; V47-I53 VanDerWaalsContact CG1-CD1 3.43Å
48	E	95.7	Very high	95.6	Very high	58 Å²	58	58 Å²	58	27%	0.271	32%	0.316	S	S	.	.			trans	-54.4	141.2	177.7	-71.2	-61.4	153.9	0	0	111.4	S22 G50 A51 L62 K84 F85	S22-E48 WeakPolarHBondContact CB-O 3.03Å; E48-G50 PolarHBondContact O-N 3.36Å; E48-A51 HydrophobicContact CB-CB 4.31Å; E48-A51 WeakPolarHBondContact O-CB 3.36Å; E48-A51 PolarHBondContact O-N 3.22Å; E48-L62 HydrophobicContact CB-CD1 4.38Å; E48-K84 WeakPolarHBondContact OE1-CB 3.39Å; E48-F85 HydrophobicContact CB-CD2 4.23Å; E48-F85 HydrophobicContact CG-CB 4.22Å; E48-F85 HydrophobicContact CG-CD2 4.27Å
49	A	94.8	Very high	95.8	Very high	43 Å²	43	52.6 Å²	52.6	36%	0.355	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	143.9	174.8	0	0	0	0	0	109.3	S22 V47 A51 L62 R81	S22-A49 WeakPolarHBondContact OG-CA 3.08Å; V47-A49 PolarHBondContact O-N 3.36Å; A49-A51 PolarHBondContact O-N 2.9Å; A49-L62 WeakPolarHBondContact O-CD1 3.41Å; A49-R81 VanDerWaalsContact C-NH2 3.26Å; A49-R81 PolarHBondContact O-NE 3.1Å; A49-R81 PolarHBondContact O-NH2 3.42Å
50	G	95.4	Very high	95.9	Very high	4 Å²	4	51.8 Å²	51.8	4%	0.041	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	5.1	-178.4	0	0	0	0	0	116	S24 E48 L63	S24-G50 PolarHBondContact OG-N 3.08Å; E48-G50 PolarHBondContact O-N 3.36Å; G50-L63 PolarHBondContact O-N 3.45Å
51	A	97.8	Very high	96	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.6	-176.7	0	0	0	0	0	114.2	I21 S22 V47 E48 A49 F61 L62 F85	I21-A51 WeakPolarHBondContact CA-O 3.27Å; S22-A51 PolarHBondContact N-O 2.84Å; V47-A51 HydrophobicContact CB-CB 4.5Å; V47-A51 HydrophobicContact CG2-CB 4.36Å; E48-A51 HydrophobicContact CB-CB 4.31Å; E48-A51 WeakPolarHBondContact O-CB 3.36Å; E48-A51 PolarHBondContact O-N 3.22Å; A49-A51 PolarHBondContact O-N 2.9Å; A51-F61 CarbonylContact C-O 3.58Å; A51-F61 VanDerWaalsContact CA-O 3.25Å; A51-F61 WeakPolarHBondContact CA-O 3.27Å; A51-L62 HydrophobicContact CB-CD1 4.44Å; A51-F85 HydrophobicContact CB-CE2 4.05Å
52	F	98.2	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.9	166.3	-57.7	-100.5	0	0	0	109.1	I19 I20 I21 L25 T30 L34 F54 A60 F61 L63 L95 M136	I19-F52 HydrophobicContact CG2-CB 4.48Å; I20-F52 CarbonylContact O-C 3.56Å; I21-F52 HydrophobicContact CB-CD1 4.4Å; I21-F52 HydrophobicContact CD1-CD1 3.87Å; I21-F52 HydrophobicContact CD1-CE1 3.97Å; I21-F52 HydrophobicContact CG1-CD1 3.83Å; I21-F52 HydrophobicContact CG1-CE1 4.32Å; I21-F52 HydrophobicContact CG2-CD1 3.86Å; I21-F52 HydrophobicContact CG2-CE1 3.83Å; L25-F52 HydrophobicContact CD1-CD2 4.04Å; L25-F52 HydrophobicContact CD1-CE1 4.15Å; L25-F52 HydrophobicContact CD1-CE2 3.32Å; L25-F52 HydrophobicContact CD1-CZ 3.4Å; L25-F52 VanDerWaalsContact CD1-CZ 3.4Å; T30-F52 HydrophobicContact CG2-CE1 3.87Å; T30-F52 HydrophobicContact CG2-CZ 3.87Å; L34-F52 HydrophobicContact CD1-CD1 4.32Å; L34-F52 HydrophobicContact CD1-CE1 4.19Å; F52-F54 HydrophobicContact CB-CE2 4.27Å; F52-A60 CarbonylContact O-C 3.45Å; F52-A60 WeakPolarHBondContact O-CA 3.42Å; F52-F61 HydrophobicContact CB-CB 4.3Å; F52-F61 PolarHBondContact N-O 3.38Å; F52-F61 PolarHBondContact O-N 3.4Å; F52-L63 HydrophobicContact CE2-CB 4.13Å; F52-L95 HydrophobicContact CD2-CD1 4.35Å; F52-M136 HydrophobicContact CB-SD 3.71Å; F52-M136 HydrophobicContact CD1-CE 3.88Å; F52-M136 HydrophobicContact CD1-SD 3.97Å; F52-M136 HydrophobicContact CD2-CE 4.37Å; F52-M136 HydrophobicContact CD2-SD 3.73Å; F52-M136 HydrophobicContact CE1-CE 3.97Å; F52-M136 HydrophobicContact CE1-SD 4.49Å; F52-M136 HydrophobicContact CE2-CE 4.43Å; F52-M136 HydrophobicContact CE2-SD 4.27Å; F52-M136 HydrophobicContact CG-CE 4.08Å; F52-M136 HydrophobicContact CG-SD 3.55Å; F52-M136 VanDerWaalsContact CG-SD 3.55Å; F52-M136 HydrophobicContact CZ-CE 4.22Å
53	I	97.9	Very high	96.1	Very high	24 Å²	24	37.9 Å²	37.9	12%	0.123	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.8	-178.3	-54.6	171.8	0	0	0	108.8	I19 I20 V47 P55 A60	I19-I53 WeakPolarHBondContact CA-O 3.4Å; I20-I53 HydrophobicContact CB-CB 4.21Å; I20-I53 PolarHBondContact N-O 2.97Å; I20-I53 PolarHBondContact O-N 3.49Å; V47-I53 HydrophobicContact CB-CD1 4.01Å; V47-I53 HydrophobicContact CG1-CD1 3.43Å; V47-I53 VanDerWaalsContact CG1-CD1 3.43Å; I53-P55 HydrophobicContact CG2-CG 4.5Å; I53-P55 WeakPolarHBondContact O-CD 3.28Å; I53-A60 HydrophobicContact CG1-CB 4.28Å
54	F	97.3	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	90.9	175.7	-69.8	-101.1	0	0	0	109	T17 I19 F52 L56 S57 G58 T59 F61 M136 L137 A140	T17-F54 HydrophobicContact CG2-CD1 3.84Å; T17-F54 HydrophobicContact CG2-CE1 3.95Å; I19-F54 HydrophobicContact CD1-CD1 4.47Å; I19-F54 HydrophobicContact CD1-CE1 3.56Å; I19-F54 HydrophobicContact CD1-CZ 3.78Å; I19-F54 HydrophobicContact CG1-CD1 3.99Å; I19-F54 HydrophobicContact CG1-CE1 3.57Å; I19-F54 HydrophobicContact CG1-CZ 4.04Å; I19-F54 HydrophobicContact CG2-CD2 4.45Å; I19-F54 HydrophobicContact CG2-CE1 4.29Å; I19-F54 HydrophobicContact CG2-CE2 4.08Å; I19-F54 HydrophobicContact CG2-CZ 4Å; F52-F54 HydrophobicContact CB-CE2 4.27Å; F54-L56 VanDerWaalsContact C-N 3.29Å; F54-L56 PolarHBondContact O-N 3.44Å; F54-S57 WeakPolarHBondContact CB-OG 3.36Å; F54-S57 PolarHBondContact O-N 3.35Å; F54-S57 VanDerWaalsContact O-N 3.14Å; F54-S57 PolarHBondContact O-OG 3.11Å; F54-G58 PolarHBondContact O-N 2.98Å; F54-T59 WeakPolarHBondContact CB-O 3.45Å; F54-T59 PolarHBondContact N-O 3.21Å; F54-T59 PolarHBondContact O-N 3.5Å; F54-F61 AromaticContact CD2-CD2 3.77Å; F54-F61 HydrophobicContact CD2-CD2 3.77Å; F54-F61 AromaticContact CD2-CE2 3.59Å; F54-F61 HydrophobicContact CD2-CE2 3.59Å; F54-F61 AromaticContact CE2-CD2 3.64Å; F54-F61 HydrophobicContact CE2-CD2 3.64Å; F54-F61 AromaticContact CE2-CE2 3.61Å; F54-F61 HydrophobicContact CE2-CE2 3.61Å; F54-M136 HydrophobicContact CE2-CB 4.03Å; F54-M136 HydrophobicContact CE2-SD 4.15Å; F54-M136 HydrophobicContact CZ-CB 3.95Å; F54-L137 HydrophobicContact CE1-CD2 3.93Å; F54-L137 HydrophobicContact CZ-CD2 4.35Å; F54-A140 HydrophobicContact CB-CB 4.08Å; F54-A140 HydrophobicContact CD1-CB 3.48Å; F54-A140 VanDerWaalsContact CD1-CB 3.48Å; F54-A140 HydrophobicContact CD2-CB 4.2Å; F54-A140 HydrophobicContact CE1-CB 3.88Å; F54-A140 HydrophobicContact CG-CB 3.65Å; F54-A140 HydrophobicContact CZ-CB 4.4Å
55	P	94.9	Very high	95.8	Very high	68 Å²	68	34.6 Å²	34.6	44%	0.442	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-60.1	-37.6	-171.4	-25.5	36.1	0	0	0	113.2	T18 I20 I53 S57 G58	T18-P55 VanDerWaalsContact O-CD 3.27Å; T18-P55 WeakPolarHBondContact O-CD 3.25Å; I20-P55 HydrophobicContact CD1-CG 3.77Å; I20-P55 HydrophobicContact CG1-CG 4.12Å; I53-P55 HydrophobicContact CG2-CG 4.5Å; I53-P55 WeakPolarHBondContact O-CD 3.28Å; P55-S57 VanDerWaalsContact C-N 3.3Å; P55-S57 PolarHBondContact O-N 3.5Å; P55-G58 PolarHBondContact O-N 2.98Å
56	L	91.9	Very high	95.6	Very high	122 Å²	122	28 Å²	28	64%	0.639	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-69.9	-25	-178.4	-64	-178.5	0	0	0	113.7	F54	F54-L56 VanDerWaalsContact C-N 3.29Å; F54-L56 PolarHBondContact O-N 3.44Å
57	S	92.8	Very high	95.3	Very high	16 Å²	16	27.9 Å²	27.9	11%	0.112	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-101.5	-3.6	176	70.2	0	0	0	0	113	F54 P55 T59 A140	F54-S57 WeakPolarHBondContact CB-OG 3.36Å; F54-S57 PolarHBondContact O-N 3.35Å; F54-S57 VanDerWaalsContact O-N 3.14Å; F54-S57 PolarHBondContact O-OG 3.11Å; P55-S57 VanDerWaalsContact C-N 3.3Å; P55-S57 PolarHBondContact O-N 3.5Å; S57-T59 PolarHBondContact O-N 2.86Å; S57-T59 VanDerWaalsContact O-N 3.11Å; S57-T59 PolarHBondContact O-OG1 3.31Å; S57-T59 VanDerWaalsContact O-OG1 3.13Å; S57-T59 WeakPolarHBondContact OG-CB 3.39Å; S57-T59 PolarHBondContact OG-N 3.39Å; S57-T59 PolarHBondContact OG-OG1 2.85Å; S57-A140 WeakPolarHBondContact CB-O 3.39Å
58	G	93.6	Very high	95.1	Very high	52 Å²	52	32.9 Å²	32.9	54%	0.536	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	22.5	-174	0	0	0	0	0	113.7	F54 P55	F54-G58 PolarHBondContact O-N 2.98Å; P55-G58 PolarHBondContact O-N 2.98Å
59	T	96.6	Very high	94.8	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.4	-175.1	-54.9	0	0	0	0	110.5	F54 S57 F61 N91 F93 I139 T143	F54-T59 WeakPolarHBondContact CB-O 3.45Å; F54-T59 PolarHBondContact N-O 3.21Å; F54-T59 PolarHBondContact O-N 3.5Å; S57-T59 PolarHBondContact O-N 2.86Å; S57-T59 VanDerWaalsContact O-N 3.11Å; S57-T59 PolarHBondContact O-OG1 3.31Å; S57-T59 VanDerWaalsContact O-OG1 3.13Å; S57-T59 WeakPolarHBondContact OG-CB 3.39Å; S57-T59 PolarHBondContact OG-N 3.39Å; S57-T59 PolarHBondContact OG-OG1 2.85Å; T59-F61 HydrophobicContact CG2-CD2 4.42Å; T59-F61 HydrophobicContact CG2-CE1 4.37Å; T59-F61 HydrophobicContact CG2-CE2 3.62Å; T59-F61 HydrophobicContact CG2-CZ 3.57Å; T59-N91 WeakPolarHBondContact CA-O 3.39Å; T59-N91 PolarHBondContact OG1-ND2 3.2Å; T59-F93 HydrophobicContact CG2-CD2 3.79Å; T59-F93 HydrophobicContact CG2-CE2 3.68Å; T59-I139 HydrophobicContact CG2-CG2 4.19Å; T59-T143 PolarHBondContact OG1-OG1 3.08Å
60	A	98	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.7	176.5	0	0	0	0	0	111.2	F52 I53 F85 H89 N91 C92 F93	F52-A60 CarbonylContact O-C 3.45Å; F52-A60 WeakPolarHBondContact O-CA 3.42Å; I53-A60 HydrophobicContact CG1-CB 4.28Å; A60-F85 HydrophobicContact CB-CE1 4.48Å; A60-F85 HydrophobicContact CB-CE2 3.91Å; A60-F85 HydrophobicContact CB-CZ 3.5Å; A60-H89 HydrophobicContact CB-CB 3.9Å; A60-H89 VanDerWaalsContact CB-CG 3.45Å; A60-N91 PolarHBondContact N-O 2.74Å; A60-C92 CarbonylContact O-C 3.52Å; A60-C92 VanDerWaalsContact O-CA 3.3Å; A60-C92 WeakPolarHBondContact O-CA 3.33Å; A60-F93 PolarHBondContact O-N 3.31Å
61	F	98.3	Very high	93.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.3	177.5	-55.5	-94.9	0	0	0	110	A51 F52 F54 T59 F85 F93 L95 M136 I139	A51-F61 CarbonylContact C-O 3.58Å; A51-F61 VanDerWaalsContact CA-O 3.25Å; A51-F61 WeakPolarHBondContact CA-O 3.27Å; F52-F61 HydrophobicContact CB-CB 4.3Å; F52-F61 PolarHBondContact N-O 3.38Å; F52-F61 PolarHBondContact O-N 3.4Å; F54-F61 AromaticContact CD2-CD2 3.77Å; F54-F61 HydrophobicContact CD2-CD2 3.77Å; F54-F61 AromaticContact CD2-CE2 3.59Å; F54-F61 HydrophobicContact CD2-CE2 3.59Å; F54-F61 AromaticContact CE2-CD2 3.64Å; F54-F61 HydrophobicContact CE2-CD2 3.64Å; F54-F61 AromaticContact CE2-CE2 3.61Å; F54-F61 HydrophobicContact CE2-CE2 3.61Å; T59-F61 HydrophobicContact CG2-CD2 4.42Å; T59-F61 HydrophobicContact CG2-CE1 4.37Å; T59-F61 HydrophobicContact CG2-CE2 3.62Å; T59-F61 HydrophobicContact CG2-CZ 3.57Å; F61-F85 VanDerWaalsContact C-CZ 3.48Å; F61-F93 CarbonylContact C-O 3.57Å; F61-F93 VanDerWaalsContact CA-O 3.23Å; F61-F93 WeakPolarHBondContact CA-O 3.48Å; F61-F93 HydrophobicContact CD1-CB 3.51Å; F61-F93 HydrophobicContact CD1-CD2 4.17Å; F61-F93 HydrophobicContact CD1-CG 4.01Å; F61-F93 HydrophobicContact CE1-CB 3.83Å; F61-F93 HydrophobicContact CE1-CD1 4.49Å; F61-F93 AromaticContact CE1-CD2 3.73Å; F61-F93 HydrophobicContact CE1-CD2 3.73Å; F61-F93 HydrophobicContact CE1-CE2 4.45Å; F61-F93 AromaticContact CE1-CG 3.78Å; F61-F93 HydrophobicContact CE1-CG 3.78Å; F61-F93 HydrophobicContact CG-CB 4.41Å; F61-F93 HydrophobicContact CZ-CD2 4.24Å; F61-L95 HydrophobicContact CB-CD1 3.54Å; F61-L95 HydrophobicContact CB-CG 3.96Å; F61-L95 HydrophobicContact CD1-CD1 4.25Å; F61-L95 HydrophobicContact CD1-CD2 4.04Å; F61-L95 HydrophobicContact CD1-CG 4.06Å; F61-L95 HydrophobicContact CG-CD1 4.18Å; F61-L95 HydrophobicContact CG-CG 4.42Å; F61-M136 HydrophobicContact CB-CG 4.28Å; F61-M136 HydrophobicContact CB-SD 4.02Å; F61-M136 HydrophobicContact CD1-CG 3.82Å; F61-M136 HydrophobicContact CD2-CB 4.23Å; F61-M136 HydrophobicContact CD2-CG 3.81Å; F61-M136 HydrophobicContact CD2-SD 3.99Å; F61-M136 HydrophobicContact CE1-CB 4.47Å; F61-M136 HydrophobicContact CE1-CG 4.11Å; F61-M136 HydrophobicContact CE2-CB 4.04Å; F61-M136 HydrophobicContact CE2-CG 4.07Å; F61-M136 HydrophobicContact CG-CG 3.7Å; F61-M136 HydrophobicContact CG-SD 3.97Å; F61-M136 HydrophobicContact CZ-CB 4.18Å; F61-M136 HydrophobicContact CZ-CG 4.23Å; F61-I139 HydrophobicContact CE1-CB 4.4Å; F61-I139 HydrophobicContact CE1-CD1 4.07Å; F61-I139 HydrophobicContact CE1-CG2 4.36Å; F61-I139 HydrophobicContact CZ-CB 4Å; F61-I139 HydrophobicContact CZ-CG2 3.93Å
62	L	97.8	Very high	93.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.7	174.1	-177.3	67.1	0	0	0	108.6	E48 A49 A51 V64 R81 I82 F85 F93 V94 L95	E48-L62 HydrophobicContact CB-CD1 4.38Å; A49-L62 WeakPolarHBondContact O-CD1 3.41Å; A51-L62 HydrophobicContact CB-CD1 4.44Å; L62-V64 HydrophobicContact CG-CG2 4.39Å; L62-R81 HydrophobicContact CD2-CG 4.48Å; L62-I82 HydrophobicContact CD2-CG1 3.85Å; L62-F85 HydrophobicContact CB-CD1 3.88Å; L62-F85 HydrophobicContact CB-CD2 4.43Å; L62-F85 HydrophobicContact CB-CE1 3.68Å; L62-F85 HydrophobicContact CB-CE2 4.29Å; L62-F85 HydrophobicContact CB-CG 4.25Å; L62-F85 HydrophobicContact CB-CZ 3.91Å; L62-F85 HydrophobicContact CD2-CB 4.26Å; L62-F85 HydrophobicContact CD2-CD1 4.23Å; L62-F85 HydrophobicContact CD2-CG 4.2Å; L62-F93 PolarHBondContact N-O 2.96Å; L62-V94 HydrophobicContact CB-CG2 4.35Å; L62-V94 HydrophobicContact CD2-CG2 4.37Å; L62-V94 CarbonylContact O-C 3.57Å; L62-V94 WeakPolarHBondContact O-CA 3.31Å; L62-L95 PolarHBondContact O-N 2.85Å
63	L	97.1	Very high	92.4	Very high	14 Å²	14	44 Å²	44	7%	0.073	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.6	175.1	-176.5	64	0	0	0	110.4	L25 G50 F52 R81 L95 I132	L25-L63 HydrophobicContact CD2-CD2 4.12Å; G50-L63 PolarHBondContact O-N 3.45Å; F52-L63 HydrophobicContact CE2-CB 4.13Å; L63-R81 PolarHBondContact O-NH2 2.71Å; L63-L95 HydrophobicContact CD1-CB 4Å; L63-I132 HydrophobicContact CD1-CD1 3.97Å
64	V	95.3	Very high	91.6	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	111.7	174.5	178.6	0	0	0	0	107	L62 L69 L78 V94 L95 L96 Y97 V108	L62-V64 HydrophobicContact CG-CG2 4.39Å; V64-L69 HydrophobicContact CG1-CD1 4.09Å; V64-L78 HydrophobicContact CG1-CD1 3.83Å; V64-L78 HydrophobicContact CG2-CD1 3.86Å; V64-V94 HydrophobicContact CB-CG1 4.16Å; V64-V94 HydrophobicContact CG2-CG1 3.84Å; V64-V94 HydrophobicContact CG2-CG2 4.47Å; V64-L95 PolarHBondContact N-O 3.37Å; V64-L96 HydrophobicContact CG1-CD1 4.38Å; V64-Y97 PolarHBondContact O-N 2.89Å; V64-V108 HydrophobicContact CG1-CG1 4.27Å
65	D	93.4	Very high	90.8	Very high	36 Å²	36	57.2 Å²	57.2	19%	0.193	32%	0.317	C	S	.	.			trans	-97.4	114.4	166.2	-167.2	-25.9	0	0	0	108.4	Q67 D68 Y97	D65-Q67 PolarHBondContact O-N 3.46Å; D65-Q67 VanDerWaalsContact O-N 3.15Å; D65-Q67 VanDerWaalsContact OD1-CB 3.31Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.21Å; D65-Q67 WeakPolarHBondContact OD1-CG 3.28Å; D65-Q67 PolarHBondContact OD1-N 3.35Å; D65-D68 HydrophobicContact CB-CB 4.29Å; D65-D68 PolarHBondContact O-N 3.32Å; D65-D68 VanDerWaalsContact O-N 3.08Å; D65-Y97 VanDerWaalsContact OD2-CD1 3.25Å; D65-Y97 WeakPolarHBondContact OD2-CD1 3.42Å
66	P	91.3	Very high	90.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-54.5	-27.7	174.8	-30.3	41.6	0	0	0	113.5	D68 L69 L96 Y97 K104 E105 V108	P66-D68 VanDerWaalsContact C-N 3.32Å; P66-D68 PolarHBondContact O-N 3.03Å; P66-L69 PolarHBondContact O-N 3.24Å; P66-L96 HydrophobicContact CG-CD1 3.7Å; P66-Y97 WeakPolarHBondContact CD-O 3.39Å; P66-K104 HydrophobicContact CB-CG 4.21Å; P66-K104 WeakPolarHBondContact O-CE 3.43Å; P66-K104 PolarHBondContact O-NZ 3.33Å; P66-E105 HydrophobicContact CB-CG 4.36Å; P66-E105 HydrophobicContact CG-CB 4.49Å; P66-E105 HydrophobicContact CG-CG 4.07Å; P66-V108 HydrophobicContact CB-CG2 4.06Å; P66-V108 HydrophobicContact CG-CB 4.38Å; P66-V108 HydrophobicContact CG-CG1 4.43Å; P66-V108 HydrophobicContact CG-CG2 4.31Å
67	Q	89.1	Confident	90.3	Very high	116 Å²	116	51 Å²	51	54%	0.542	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-71.4	-27.9	179.5	-56.3	-57.7	-38.7	0	0	112.5	D65 L69 E105	D65-Q67 PolarHBondContact O-N 3.46Å; D65-Q67 VanDerWaalsContact O-N 3.15Å; D65-Q67 VanDerWaalsContact OD1-CB 3.31Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.21Å; D65-Q67 WeakPolarHBondContact OD1-CG 3.28Å; D65-Q67 PolarHBondContact OD1-N 3.35Å; Q67-L69 VanDerWaalsContact C-N 3.3Å; Q67-E105 PolarHBondContact NE2-OE1 3.38Å
68	D	89.2	Confident	90.3	Very high	134 Å²	134	50.3 Å²	50.3	72%	0.717	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-83.3	-6.4	177.4	-68.7	-21.3	0	0	0	112.9	D65 P66	D65-D68 HydrophobicContact CB-CB 4.29Å; D65-D68 PolarHBondContact O-N 3.32Å; D65-D68 VanDerWaalsContact O-N 3.08Å; P66-D68 VanDerWaalsContact C-N 3.32Å; P66-D68 PolarHBondContact O-N 3.03Å
69	L	89.4	Confident	90.3	Very high	17 Å²	17	50 Å²	50	9%	0.089	27%	0.273	C	S	.	.	S	Bend	trans	-84.6	128.3	-179.5	-63.1	175.8	0	0	0	110.8	V64 P66 Q67 L73 L78 K104 V108	V64-L69 HydrophobicContact CG1-CD1 4.09Å; P66-L69 PolarHBondContact O-N 3.24Å; Q67-L69 VanDerWaalsContact C-N 3.3Å; L69-L73 HydrophobicContact CB-CD1 4.43Å; L69-L73 HydrophobicContact CD1-CD1 3.74Å; L69-L78 HydrophobicContact CD1-CD2 3.84Å; L69-L78 HydrophobicContact CD2-CB 4.37Å; L69-L78 HydrophobicContact CD2-CD1 4.25Å; L69-K104 PolarHBondContact O-NZ 3.08Å; L69-K104 VanDerWaalsContact O-NZ 3.11Å; L69-V108 HydrophobicContact CD1-CG1 4.22Å; L69-V108 HydrophobicContact CD1-CG2 3.75Å
70	P	86.6	Confident	90.2	Very high	74 Å²	74	56.3 Å²	56.3	48%	0.481	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-65.3	152.1	174	30.4	-36.1	0	0	0	110.4	P72	P70-P72 CarbonylContact O-C 3.46Å
71	E	82.3	Confident	90.1	Very high	148 Å²	148	59.4 Å²	59.4	69%	0.692	31%	0.314	S	S	*	.	S	Bend	trans	-103.2	135.6	172.5	-72.9	171.4	-156.5	0	0	108.9	K104	E71-K104 VanDerWaalsContact OE1-CE 3.29Å; E71-K104 WeakPolarHBondContact OE1-CE 3.43Å; E71-K104 IonicContact OE1-NZ 3.92Å; E71-K104 PolarHBondContact OE1-NZ 3.35Å
72	P	83.9	Confident	89.9	Confident	67 Å²	67	59.4 Å²	59.4	44%	0.435	31%	0.314	S	S	.	.	S	Bend	cis	-76.5	152	3.4	32.2	-34.5	0	0	0	113.2	P70 D74 E75	P70-P72 CarbonylContact O-C 3.46Å; P72-D74 PolarHBondContact O-N 3.3Å; P72-D74 VanDerWaalsContact O-N 3.12Å; P72-E75 HydrophobicContact CG-CB 4.31Å; P72-E75 HydrophobicContact CG-CG 3.96Å; P72-E75 PolarHBondContact O-N 3.01Å
73	L	83.9	Confident	89.8	Confident	31 Å²	31	62.6 Å²	62.6	16%	0.162	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-58.5	-29.9	-175.6	-177.1	61	0	0	0	113.3	L69 E75 S76 L78 V108 V111	L69-L73 HydrophobicContact CB-CD1 4.43Å; L69-L73 HydrophobicContact CD1-CD1 3.74Å; L73-E75 PolarHBondContact O-N 2.61Å; L73-S76 VanDerWaalsContact O-CB 3.25Å; L73-S76 WeakPolarHBondContact O-CB 3.3Å; L73-S76 PolarHBondContact O-N 3.44Å; L73-S76 VanDerWaalsContact O-N 3.13Å; L73-S76 PolarHBondContact O-OG 3.13Å; L73-L78 HydrophobicContact CD1-CD2 4.18Å; L73-V108 HydrophobicContact CD1-CG2 3.91Å; L73-V108 HydrophobicContact CD2-CG2 3.92Å; L73-V111 HydrophobicContact CD2-CB 4.09Å; L73-V111 HydrophobicContact CD2-CG1 4.46Å; L73-V111 HydrophobicContact CD2-CG2 3.68Å
74	D	80.1	Confident	89.7	Confident	149 Å²	149	67.4 Å²	67.4	80%	0.797	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-63	-28.4	177.8	-66.5	-25.9	0	0	0	112.8	P72	P72-D74 PolarHBondContact O-N 3.3Å; P72-D74 VanDerWaalsContact O-N 3.12Å
75	E	80.9	Confident	89.8	Confident	154 Å²	154	67.2 Å²	67.2	72%	0.72	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-90.5	-3.1	178.7	-66.7	-179.3	-176.2	0	0	112.9	P72 L73 G77	P72-E75 HydrophobicContact CG-CB 4.31Å; P72-E75 HydrophobicContact CG-CG 3.96Å; P72-E75 PolarHBondContact O-N 3.01Å; L73-E75 PolarHBondContact O-N 2.61Å; E75-G77 PolarHBondContact O-N 3.11Å
76	S	86.1	Confident	89.9	Confident	26 Å²	26	66.3 Å²	66.3	18%	0.182	34%	0.344	C	S	.	.	S	Bend	trans	-69.3	-13.3	-176.6	70.2	0	0	0	0	115.2	L73 L78	L73-S76 VanDerWaalsContact O-CB 3.25Å; L73-S76 WeakPolarHBondContact O-CB 3.3Å; L73-S76 PolarHBondContact O-N 3.44Å; L73-S76 VanDerWaalsContact O-N 3.13Å; L73-S76 PolarHBondContact O-OG 3.13Å; S76-L78 PolarHBondContact O-N 3.4Å; S76-L78 VanDerWaalsContact O-N 3.08Å; S76-L78 WeakPolarHBondContact OG-CB 3.25Å; S76-L78 PolarHBondContact OG-N 3.01Å
77	G	90.8	Very high	90	Very high	32 Å²	32	73.4 Å²	73.4	33%	0.33	38%	0.377	S	S	.	.			trans	64.3	7.6	-172.2	0	0	0	0	0	113.7	E75 T79 E80 R81	E75-G77 PolarHBondContact O-N 3.11Å; G77-T79 VanDerWaalsContact C-N 3.32Å; G77-T79 PolarHBondContact O-N 3.13Å; G77-E80 PolarHBondContact O-N 2.98Å; G77-R81 WeakPolarHBondContact O-CB 3.34Å; G77-R81 PolarHBondContact O-N 2.85Å
78	L	93.1	Very high	90.3	Very high	3 Å²	3	73 Å²	73	2%	0.016	38%	0.382	C	S	.	.	H	α-helix	trans	-56	-47.2	-177.8	176.4	65.9	0	0	0	111.3	V64 L69 L73 S76 R81 I82 V108 I112	V64-L78 HydrophobicContact CG1-CD1 3.83Å; V64-L78 HydrophobicContact CG2-CD1 3.86Å; L69-L78 HydrophobicContact CD1-CD2 3.84Å; L69-L78 HydrophobicContact CD2-CB 4.37Å; L69-L78 HydrophobicContact CD2-CD1 4.25Å; L73-L78 HydrophobicContact CD1-CD2 4.18Å; S76-L78 PolarHBondContact O-N 3.4Å; S76-L78 VanDerWaalsContact O-N 3.08Å; S76-L78 WeakPolarHBondContact OG-CB 3.25Å; S76-L78 PolarHBondContact OG-N 3.01Å; L78-R81 PolarHBondContact O-N 2.94Å; L78-I82 HydrophobicContact CD1-CD1 3.73Å; L78-I82 HydrophobicContact CD1-CG1 4.11Å; L78-I82 HydrophobicContact CD2-CD1 4.39Å; L78-I82 HydrophobicContact CG-CD1 3.76Å; L78-I82 HydrophobicContact CG-CG1 4.43Å; L78-I82 VanDerWaalsContact O-CG1 3.3Å; L78-I82 WeakPolarHBondContact O-CG1 3.44Å; L78-I82 PolarHBondContact O-N 2.8Å; L78-V108 HydrophobicContact CD2-CG1 3.94Å; L78-I112 HydrophobicContact CD2-CD1 4.24Å; L78-I112 HydrophobicContact CD2-CG1 4.2Å
79	T	93.3	Very high	90.6	Very high	46 Å²	46	68.2 Å²	68.2	28%	0.282	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-46.3	-177.8	-61.9	0	0	0	0	112	G77 R81 I82 E83 R115 F116	G77-T79 VanDerWaalsContact C-N 3.32Å; G77-T79 PolarHBondContact O-N 3.13Å; T79-R81 VanDerWaalsContact C-N 3.34Å; T79-R81 PolarHBondContact O-N 3.35Å; T79-I82 PolarHBondContact O-N 2.94Å; T79-E83 VanDerWaalsContact O-CB 3.28Å; T79-E83 WeakPolarHBondContact O-CB 3.49Å; T79-E83 PolarHBondContact O-N 3.34Å; T79-R115 HydrophobicContact CG2-CG 3.77Å; T79-F116 HydrophobicContact CG2-CE2 4.31Å; T79-F116 HydrophobicContact CG2-CZ 4.17Å
80	E	94.4	Very high	90.6	Very high	132 Å²	132	78.4 Å²	78.4	62%	0.617	39%	0.393	S	S	*	.	H	α-helix	trans	-63	-40.9	177.1	-82.8	-173.9	140.4	0	0	112.1	G77 E83 K84	G77-E80 PolarHBondContact O-N 2.98Å; E80-E83 PolarHBondContact O-N 3.08Å; E80-K84 WeakPolarHBondContact O-CG 3.3Å; E80-K84 PolarHBondContact O-N 3.03Å
81	R	94.7	Very high	91	Very high	65 Å²	65	76.7 Å²	76.7	25%	0.245	38%	0.379	C	S	.	.	H	α-helix	trans	-64	-45.1	177.3	179.8	170.7	157.9	-142.7	-13.9	111.7	A49 L62 L63 G77 L78 T79 E83 F85	A49-R81 VanDerWaalsContact C-NH2 3.26Å; A49-R81 PolarHBondContact O-NE 3.1Å; A49-R81 PolarHBondContact O-NH2 3.42Å; L62-R81 HydrophobicContact CD2-CG 4.48Å; L63-R81 PolarHBondContact O-NH2 2.71Å; G77-R81 WeakPolarHBondContact O-CB 3.34Å; G77-R81 PolarHBondContact O-N 2.85Å; L78-R81 PolarHBondContact O-N 2.94Å; T79-R81 VanDerWaalsContact C-N 3.34Å; T79-R81 PolarHBondContact O-N 3.35Å; R81-E83 VanDerWaalsContact C-N 3.32Å; R81-F85 WeakPolarHBondContact O-CB 3.21Å; R81-F85 PolarHBondContact O-N 3.01Å; R81-F85 VanDerWaalsContact O-N 3.08Å
82	I	96	Very high	91.7	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-41.2	174.9	-65.9	171.1	0	0	0	110.2	L62 L78 T79 K84 F85 V86 V94 I112 F116 L121	L62-I82 HydrophobicContact CD2-CG1 3.85Å; L78-I82 HydrophobicContact CD1-CD1 3.73Å; L78-I82 HydrophobicContact CD1-CG1 4.11Å; L78-I82 HydrophobicContact CD2-CD1 4.39Å; L78-I82 HydrophobicContact CG-CD1 3.76Å; L78-I82 HydrophobicContact CG-CG1 4.43Å; L78-I82 VanDerWaalsContact O-CG1 3.3Å; L78-I82 WeakPolarHBondContact O-CG1 3.44Å; L78-I82 PolarHBondContact O-N 2.8Å; T79-I82 PolarHBondContact O-N 2.94Å; I82-K84 PolarHBondContact O-N 3.23Å; I82-F85 WeakPolarHBondContact O-CB 3.43Å; I82-F85 PolarHBondContact O-N 3.18Å; I82-V86 HydrophobicContact CG2-CG2 3.94Å; I82-V86 WeakPolarHBondContact O-CB 3.19Å; I82-V86 WeakPolarHBondContact O-CG2 3.32Å; I82-V86 PolarHBondContact O-N 3.41Å; I82-V94 HydrophobicContact CD1-CG2 4.14Å; I82-V94 HydrophobicContact CG1-CG2 4.19Å; I82-V94 HydrophobicContact CG2-CG2 4.5Å; I82-I112 HydrophobicContact CD1-CD1 3.87Å; I82-I112 HydrophobicContact CD1-CG1 3.73Å; I82-I112 HydrophobicContact CD1-CG2 4.35Å; I82-F116 HydrophobicContact CB-CE1 4.47Å; I82-F116 HydrophobicContact CB-CE2 3.81Å; I82-F116 HydrophobicContact CB-CZ 3.71Å; I82-F116 HydrophobicContact CD1-CE2 4.27Å; I82-F116 HydrophobicContact CG2-CD1 4.19Å; I82-F116 HydrophobicContact CG2-CD2 3.87Å; I82-F116 HydrophobicContact CG2-CE1 3.79Å; I82-F116 HydrophobicContact CG2-CE2 3.45Å; I82-F116 VanDerWaalsContact CG2-CE2 3.45Å; I82-F116 HydrophobicContact CG2-CG 4.23Å; I82-F116 HydrophobicContact CG2-CZ 3.41Å; I82-F116 VanDerWaalsContact CG2-CZ 3.41Å; I82-L121 HydrophobicContact CG2-CD2 3.49Å; I82-L121 VanDerWaalsContact CG2-CD2 3.49Å
83	E	95.5	Very high	92.4	Very high	67 Å²	67	67.5 Å²	67.5	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-47.1	-179.4	-171.3	163.6	170.5	0	0	111.8	T79 E80 R81 F85 V86 Q87 R115 F116	T79-E83 VanDerWaalsContact O-CB 3.28Å; T79-E83 WeakPolarHBondContact O-CB 3.49Å; T79-E83 PolarHBondContact O-N 3.34Å; E80-E83 PolarHBondContact O-N 3.08Å; R81-E83 VanDerWaalsContact C-N 3.32Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3.15Å; E83-V86 PolarHBondContact O-N 3.11Å; E83-Q87 WeakPolarHBondContact O-CG 3.17Å; E83-Q87 PolarHBondContact O-N 2.82Å; E83-Q87 VanDerWaalsContact O-N 3.11Å; E83-R115 IonicContact OE2-CZ 2.98Å; E83-R115 IonicContact OE2-NE 2.96Å; E83-R115 IonicContact OE2-NH2 3.98Å; E83-R115 PolarHBondContact OE2-NH2 2.87Å; E83-F116 HydrophobicContact CB-CE1 4.23Å; E83-F116 HydrophobicContact CB-CZ 4.22Å
84	K	94.9	Very high	93	Very high	114 Å²	114	66 Å²	66	50%	0.496	32%	0.323	S	S	.	.	H	α-helix	trans	-57.7	-46	172.5	-72	174.1	-177.3	171.1	0	111.9	E48 E80 I82 V86 Q87 V88	E48-K84 WeakPolarHBondContact OE1-CB 3.39Å; E80-K84 WeakPolarHBondContact O-CG 3.3Å; E80-K84 PolarHBondContact O-N 3.03Å; I82-K84 PolarHBondContact O-N 3.23Å; K84-V86 PolarHBondContact O-N 3.45Å; K84-Q87 PolarHBondContact O-N 2.96Å; K84-V88 PolarHBondContact O-N 2.71Å
85	F	96.2	Very high	93.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-43.2	179.4	-176.5	-107.7	0	0	0	112.5	E48 A51 A60 F61 L62 R81 I82 E83 Q87 V88 H89 C92	E48-F85 HydrophobicContact CB-CD2 4.23Å; E48-F85 HydrophobicContact CG-CB 4.22Å; E48-F85 HydrophobicContact CG-CD2 4.27Å; A51-F85 HydrophobicContact CB-CE2 4.05Å; A60-F85 HydrophobicContact CB-CE1 4.48Å; A60-F85 HydrophobicContact CB-CE2 3.91Å; A60-F85 HydrophobicContact CB-CZ 3.5Å; F61-F85 VanDerWaalsContact C-CZ 3.48Å; L62-F85 HydrophobicContact CB-CD1 3.88Å; L62-F85 HydrophobicContact CB-CD2 4.43Å; L62-F85 HydrophobicContact CB-CE1 3.68Å; L62-F85 HydrophobicContact CB-CE2 4.29Å; L62-F85 HydrophobicContact CB-CG 4.25Å; L62-F85 HydrophobicContact CB-CZ 3.91Å; L62-F85 HydrophobicContact CD2-CB 4.26Å; L62-F85 HydrophobicContact CD2-CD1 4.23Å; L62-F85 HydrophobicContact CD2-CG 4.2Å; R81-F85 WeakPolarHBondContact O-CB 3.21Å; R81-F85 PolarHBondContact O-N 3.01Å; R81-F85 VanDerWaalsContact O-N 3.08Å; I82-F85 WeakPolarHBondContact O-CB 3.43Å; I82-F85 PolarHBondContact O-N 3.18Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3.15Å; F85-Q87 PolarHBondContact O-N 3.35Å; F85-V88 PolarHBondContact O-N 2.68Å; F85-H89 AromaticContact CD2-CD2 3.42Å; F85-H89 VanDerWaalsContact CD2-CD2 3.42Å; F85-H89 WeakPolarHBondContact CD2-CD2 3.1Å; F85-H89 AromaticContact CD2-NE2 3.87Å; F85-H89 AromaticContact CE2-CD2 3.27Å; F85-H89 WeakPolarHBondContact CE2-CD2 3.36Å; F85-H89 AromaticContact CE2-NE2 3.62Å; F85-H89 AromaticContact CZ-CD2 3.84Å; F85-H89 PolarHBondContact O-CD2 3.3Å; F85-H89 VanDerWaalsContact O-CD2 3.25Å; F85-H89 PolarHBondContact O-N 3.44Å; F85-C92 HydrophobicContact CD1-CB 4.17Å; F85-C92 HydrophobicContact CE1-CB 3.62Å; F85-C92 HydrophobicContact CZ-CB 4.33Å
86	V	95.6	Very high	94.5	Very high	17 Å²	17	51.9 Å²	51.9	10%	0.103	25%	0.252	C	S	.	.	H	α-helix	trans	-66.7	-36.3	-179.4	170.7	0	0	0	0	111.9	I82 E83 K84 V88 F116 N120 L121	I82-V86 HydrophobicContact CG2-CG2 3.94Å; I82-V86 WeakPolarHBondContact O-CB 3.19Å; I82-V86 WeakPolarHBondContact O-CG2 3.32Å; I82-V86 PolarHBondContact O-N 3.41Å; E83-V86 PolarHBondContact O-N 3.11Å; K84-V86 PolarHBondContact O-N 3.45Å; V86-V88 VanDerWaalsContact C-N 3.33Å; V86-V88 PolarHBondContact O-N 3.01Å; V86-F116 HydrophobicContact CG2-CD1 4.47Å; V86-N120 WeakPolarHBondContact CG1-OD1 3.46Å; V86-L121 HydrophobicContact CG2-CB 3.86Å; V86-L121 HydrophobicContact CG2-CD1 3.9Å; V86-L121 HydrophobicContact CG2-CD2 4.22Å; V86-L121 HydrophobicContact CG2-CG 4.2Å
87	Q	94.7	Very high	94.9	Very high	149 Å²	149	53.1 Å²	53.1	70%	0.696	25%	0.253	S	S	*	.	H	α-helix	trans	-65.2	-33.9	178.1	-72.4	174.9	8.5	0	0	113	E83 K84 F85	E83-Q87 WeakPolarHBondContact O-CG 3.17Å; E83-Q87 PolarHBondContact O-N 2.82Å; E83-Q87 VanDerWaalsContact O-N 3.11Å; K84-Q87 PolarHBondContact O-N 2.96Å; F85-Q87 PolarHBondContact O-N 3.35Å
88	V	94.6	Very high	94.8	Very high	109 Å²	109	52 Å²	52	66%	0.661	24%	0.24	S	C	*	.	H	α-helix	trans	-82.8	-33.3	-178.3	178.9	0	0	0	0	112	K84 F85 V86	K84-V88 PolarHBondContact O-N 2.71Å; F85-V88 PolarHBondContact O-N 2.68Å; V86-V88 VanDerWaalsContact C-N 3.33Å; V86-V88 PolarHBondContact O-N 3.01Å
89	H	95	Very high	94.4	Very high	33 Å²	33	53.8 Å²	53.8	15%	0.153	25%	0.252	C	S	.	.			trans	-115.4	114.1	-167.5	-62.2	-62	0	0	0	113.3	A60 F85 N91 C92 N120	A60-H89 HydrophobicContact CB-CB 3.9Å; A60-H89 VanDerWaalsContact CB-CG 3.45Å; F85-H89 AromaticContact CD2-CD2 3.42Å; F85-H89 VanDerWaalsContact CD2-CD2 3.42Å; F85-H89 WeakPolarHBondContact CD2-CD2 3.1Å; F85-H89 AromaticContact CD2-NE2 3.87Å; F85-H89 AromaticContact CE2-CD2 3.27Å; F85-H89 WeakPolarHBondContact CE2-CD2 3.36Å; F85-H89 AromaticContact CE2-NE2 3.62Å; F85-H89 AromaticContact CZ-CD2 3.84Å; F85-H89 PolarHBondContact O-CD2 3.3Å; F85-H89 VanDerWaalsContact O-CD2 3.25Å; F85-H89 PolarHBondContact O-N 3.44Å; H89-N91 PolarHBondContact O-N 3.06Å; H89-C92 HydrophobicContact CB-CB 3.8Å; H89-C92 PolarHBondContact O-SG 3.37Å; H89-C92 VanDerWaalsContact O-SG 3.39Å; H89-N120 PolarHBondContact O-ND2 3.19Å
90	R	90.5	Very high	93.8	Very high	231 Å²	231	59.6 Å²	59.6	87%	0.872	27%	0.274	S	S	*	.	S	Bend	trans	-63.8	-41.9	178.9	-68	-175.1	179.6	-179	-0.3	113.7	N120	R90-N120 PolarHBondContact O-ND2 3.12Å
91	N	94.6	Very high	93	Very high	37 Å²	37	60.1 Å²	60.1	20%	0.198	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	93.1	175.6	-170.3	33.6	0	0	0	109.6	T59 A60 H89 K122	T59-N91 WeakPolarHBondContact CA-O 3.39Å; T59-N91 PolarHBondContact OG1-ND2 3.2Å; A60-N91 PolarHBondContact N-O 2.74Å; H89-N91 PolarHBondContact O-N 3.06Å; N91-K122 PolarHBondContact OD1-NZ 3.22Å
92	C	96.7	Very high	92.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.2	-172.3	58.8	0	0	0	0	112.2	A60 F85 H89 K122	A60-C92 CarbonylContact O-C 3.52Å; A60-C92 VanDerWaalsContact O-CA 3.3Å; A60-C92 WeakPolarHBondContact O-CA 3.33Å; F85-C92 HydrophobicContact CD1-CB 4.17Å; F85-C92 HydrophobicContact CE1-CB 3.62Å; F85-C92 HydrophobicContact CZ-CB 4.33Å; H89-C92 HydrophobicContact CB-CB 3.8Å; H89-C92 PolarHBondContact O-SG 3.37Å; H89-C92 VanDerWaalsContact O-SG 3.39Å; C92-K122 PolarHBondContact O-N 3.39Å; C92-K122 VanDerWaalsContact O-N 3.09Å
93	F	97.9	Very high	92.2	Very high	23 Å²	23	65.3 Å²	65.3	10%	0.101	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.2	-180	-64.5	-103.1	0	0	0	109.8	T59 A60 F61 L62 K122 I139	T59-F93 HydrophobicContact CG2-CD2 3.79Å; T59-F93 HydrophobicContact CG2-CE2 3.68Å; A60-F93 PolarHBondContact O-N 3.31Å; F61-F93 CarbonylContact C-O 3.57Å; F61-F93 VanDerWaalsContact CA-O 3.23Å; F61-F93 WeakPolarHBondContact CA-O 3.48Å; F61-F93 HydrophobicContact CD1-CB 3.51Å; F61-F93 HydrophobicContact CD1-CD2 4.17Å; F61-F93 HydrophobicContact CD1-CG 4.01Å; F61-F93 HydrophobicContact CE1-CB 3.83Å; F61-F93 HydrophobicContact CE1-CD1 4.49Å; F61-F93 AromaticContact CE1-CD2 3.73Å; F61-F93 HydrophobicContact CE1-CD2 3.73Å; F61-F93 HydrophobicContact CE1-CE2 4.45Å; F61-F93 AromaticContact CE1-CG 3.78Å; F61-F93 HydrophobicContact CE1-CG 3.78Å; F61-F93 HydrophobicContact CG-CB 4.41Å; F61-F93 HydrophobicContact CZ-CD2 4.24Å; L62-F93 PolarHBondContact N-O 2.96Å; F93-K122 CarbonylContact C-O 3.49Å; F93-K122 WeakPolarHBondContact CA-O 3.3Å; F93-K122 HydrophobicContact CD1-CB 3.48Å; F93-K122 VanDerWaalsContact CD1-CB 3.48Å; F93-K122 HydrophobicContact CD1-CD 4.22Å; F93-K122 HydrophobicContact CD1-CG 4.46Å; F93-K122 HydrophobicContact CE1-CB 3.61Å; F93-K122 HydrophobicContact CE1-CD 3.49Å; F93-K122 VanDerWaalsContact CE1-CD 3.49Å; F93-K122 HydrophobicContact CE1-CG 4.18Å; F93-K122 HydrophobicContact CE2-CD 4.34Å; F93-K122 HydrophobicContact CG-CB 4.18Å; F93-K122 HydrophobicContact CZ-CB 4.39Å; F93-K122 HydrophobicContact CZ-CD 3.56Å; F93-I139 HydrophobicContact CD1-CD1 4.2Å; F93-I139 HydrophobicContact CD2-CG2 4.49Å; F93-I139 HydrophobicContact CE1-CD1 3.89Å; F93-I139 HydrophobicContact CE1-CG2 4.4Å; F93-I139 HydrophobicContact CE2-CG2 3.71Å; F93-I139 HydrophobicContact CZ-CD1 4.21Å; F93-I139 HydrophobicContact CZ-CG2 3.65Å
94	V	97.4	Very high	91.9	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.8	158.9	160.6	0	0	0	0	107.7	L62 V64 I82 L96 I112 L121 K122 L124	L62-V94 HydrophobicContact CB-CG2 4.35Å; L62-V94 HydrophobicContact CD2-CG2 4.37Å; L62-V94 CarbonylContact O-C 3.57Å; L62-V94 WeakPolarHBondContact O-CA 3.31Å; V64-V94 HydrophobicContact CB-CG1 4.16Å; V64-V94 HydrophobicContact CG2-CG1 3.84Å; V64-V94 HydrophobicContact CG2-CG2 4.47Å; I82-V94 HydrophobicContact CD1-CG2 4.14Å; I82-V94 HydrophobicContact CG1-CG2 4.19Å; I82-V94 HydrophobicContact CG2-CG2 4.5Å; V94-L96 HydrophobicContact CG1-CB 4.42Å; V94-L96 PolarHBondContact O-N 2.84Å; V94-I112 HydrophobicContact CG1-CD1 4.16Å; V94-L121 HydrophobicContact CB-CD1 4.44Å; V94-L121 HydrophobicContact CG2-CD1 3.89Å; V94-L121 HydrophobicContact CG2-CD2 4.13Å; V94-L121 HydrophobicContact CG2-CG 4.48Å; V94-K122 PolarHBondContact N-O 3.03Å; V94-L124 PolarHBondContact O-N 2.93Å
95	L	97	Very high	91.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	98.4	167.4	-65.9	163.6	0	0	0	107.1	F52 F61 L62 L63 V64 Y97 L124 V126 I132 M136	F52-L95 HydrophobicContact CD2-CD1 4.35Å; F61-L95 HydrophobicContact CB-CD1 3.54Å; F61-L95 HydrophobicContact CB-CG 3.96Å; F61-L95 HydrophobicContact CD1-CD1 4.25Å; F61-L95 HydrophobicContact CD1-CD2 4.04Å; F61-L95 HydrophobicContact CD1-CG 4.06Å; F61-L95 HydrophobicContact CG-CD1 4.18Å; F61-L95 HydrophobicContact CG-CG 4.42Å; L62-L95 PolarHBondContact O-N 2.85Å; L63-L95 HydrophobicContact CD1-CB 4Å; V64-L95 PolarHBondContact N-O 3.37Å; L95-Y97 PolarHBondContact O-N 2.82Å; L95-L124 WeakPolarHBondContact CA-O 3Å; L95-L124 HydrophobicContact CD2-CB 4.16Å; L95-L124 HydrophobicContact CD2-CD2 3.69Å; L95-L124 HydrophobicContact CD2-CG 4.16Å; L95-V126 HydrophobicContact CB-CG2 4.35Å; L95-V126 HydrophobicContact CD2-CG1 4.14Å; L95-I132 HydrophobicContact CD1-CG2 4.13Å; L95-M136 HydrophobicContact CD1-CG 3.78Å; L95-M136 HydrophobicContact CD1-SD 3.64Å; L95-M136 HydrophobicContact CD2-CG 4.17Å
96	L	95.4	Very high	91.4	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	105.7	178.4	-178.9	64.5	0	0	0	108.6	V64 P66 V94 S98 V108 L109 I123 L124 P125 V126	V64-L96 HydrophobicContact CG1-CD1 4.38Å; P66-L96 HydrophobicContact CG-CD1 3.7Å; V94-L96 HydrophobicContact CG1-CB 4.42Å; V94-L96 PolarHBondContact O-N 2.84Å; L96-S98 PolarHBondContact O-N 2.96Å; L96-V108 HydrophobicContact CD1-CG1 3.82Å; L96-L109 HydrophobicContact CD2-CB 3.88Å; L96-L109 HydrophobicContact CD2-CD1 3.97Å; L96-L109 HydrophobicContact CD2-CG 4.41Å; L96-I123 HydrophobicContact CB-CG2 4.18Å; L96-L124 PolarHBondContact N-O 2.89Å; L96-L124 VanDerWaalsContact N-O 3.07Å; L96-P125 WeakPolarHBondContact O-CA 3.25Å; L96-V126 WeakPolarHBondContact O-CG2 3.29Å; L96-V126 PolarHBondContact O-N 3.09Å
97	Y	93.9	Very high	91.2	Very high	52 Å²	52	68.2 Å²	68.2	20%	0.204	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	116.9	174.7	-167.1	-109.9	0	0	0	109.4	V64 D65 P66 L95 P99 V126 I132	V64-Y97 PolarHBondContact O-N 2.89Å; D65-Y97 VanDerWaalsContact OD2-CD1 3.25Å; D65-Y97 WeakPolarHBondContact OD2-CD1 3.42Å; P66-Y97 WeakPolarHBondContact CD-O 3.39Å; L95-Y97 PolarHBondContact O-N 2.82Å; Y97-P99 HydrophobicContact CD1-CG 4.41Å; Y97-P99 HydrophobicContact CE1-CG 3.93Å; Y97-V126 WeakPolarHBondContact CA-O 2.95Å; Y97-V126 HydrophobicContact CD2-CG2 4.29Å; Y97-I132 HydrophobicContact CD2-CD1 3.94Å; Y97-I132 HydrophobicContact CE2-CD1 4.23Å
98	S	89.9	Confident	91.2	Very high	9 Å²	9	61.2 Å²	61.2	6%	0.063	30%	0.299	C	S	.	.			trans	-147	79.8	-176.1	175.3	0	0	0	0	107.9	L96 F100 V126 R127	L96-S98 PolarHBondContact O-N 2.96Å; S98-F100 PolarHBondContact O-N 3.5Å; S98-F100 PolarHBondContact OG-O 3.23Å; S98-V126 PolarHBondContact N-O 3.05Å; S98-R127 WeakPolarHBondContact O-CG 3.44Å
99	P	84.8	Confident	91.1	Very high	40 Å²	40	58 Å²	58	26%	0.26	28%	0.278	S	S	.	.	S	Bend	trans	-61.3	-31	175.4	24.3	-31.8	0	0	0	111	Y97	Y97-P99 HydrophobicContact CD1-CG 4.41Å; Y97-P99 HydrophobicContact CE1-CG 3.93Å
100	F	80.1	Confident	91	Very high	168 Å²	168	60 Å²	60	74%	0.737	29%	0.293	S	S	*	.	S	Bend	trans	-132.1	149.8	172.3	-50.6	-76.7	0	0	0	109.8	S98 G102 E105	S98-F100 PolarHBondContact O-N 3.5Å; S98-F100 PolarHBondContact OG-O 3.23Å; F100-G102 PolarHBondContact O-N 3.03Å; F100-E105 WeakPolarHBondContact O-CG 3.48Å
101	N	76.7	Confident	91.2	Very high	143 Å²	143	51.1 Å²	51.1	77%	0.765	26%	0.264	S	S	*	.			trans	-82.5	71.9	173.1	-71	16.6	0	0	0	109.1
102	G	85.8	Confident	91.1	Very high	27 Å²	27	49.4 Å²	49.4	28%	0.278	26%	0.255	S	S	.	.			trans	-82.1	175.2	174.2	0	0	0	0	0	112.5	F100 K104 E105 L106	F100-G102 PolarHBondContact O-N 3.03Å; G102-K104 VanDerWaalsContact C-N 3.34Å; G102-E105 WeakPolarHBondContact CA-OE2 3.18Å; G102-E105 PolarHBondContact N-OE2 2.79Å; G102-E105 VanDerWaalsContact N-OE2 3.13Å; G102-L106 PolarHBondContact O-N 3.15Å; G102-L106 VanDerWaalsContact O-N 3.11Å
103	E	88.8	Confident	91	Very high	147 Å²	147	54 Å²	54	69%	0.687	28%	0.276	S	S	*	.	H	α-helix	trans	-64.2	-41.2	-179.6	-164.3	-177.2	164.8	0	0	111.3	L106 Q107	E103-L106 PolarHBondContact O-N 3.1Å; E103-Q107 HydrophobicContact CG-CG 4.45Å; E103-Q107 WeakPolarHBondContact O-CB 3.14Å; E103-Q107 VanDerWaalsContact O-CG 3.24Å; E103-Q107 WeakPolarHBondContact O-CG 3.34Å; E103-Q107 PolarHBondContact O-N 2.96Å; E103-Q107 PolarHBondContact OE1-NE2 2.84Å; E103-Q107 VanDerWaalsContact OE1-NE2 3.09Å
104	K	88.6	Confident	90.8	Very high	42 Å²	42	60.7 Å²	60.7	18%	0.183	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-44.9	179.5	-165.9	172.5	-170.3	174.2	0	111.6	P66 L69 E71 G102 L106 Q107 V108	P66-K104 HydrophobicContact CB-CG 4.21Å; P66-K104 WeakPolarHBondContact O-CE 3.43Å; P66-K104 PolarHBondContact O-NZ 3.33Å; L69-K104 PolarHBondContact O-NZ 3.08Å; L69-K104 VanDerWaalsContact O-NZ 3.11Å; E71-K104 VanDerWaalsContact OE1-CE 3.29Å; E71-K104 WeakPolarHBondContact OE1-CE 3.43Å; E71-K104 IonicContact OE1-NZ 3.92Å; E71-K104 PolarHBondContact OE1-NZ 3.35Å; G102-K104 VanDerWaalsContact C-N 3.34Å; K104-L106 VanDerWaalsContact C-N 3.31Å; K104-L106 PolarHBondContact O-N 3.25Å; K104-Q107 PolarHBondContact O-N 3.22Å; K104-V108 VanDerWaalsContact O-CG2 3.3Å; K104-V108 WeakPolarHBondContact O-CG2 3.35Å; K104-V108 PolarHBondContact O-N 3.26Å
105	E	90.6	Very high	90.6	Very high	16 Å²	16	67.3 Å²	67.3	8%	0.075	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-41.1	176.5	-65.2	73.5	-167.7	0	0	111.3	P66 Q67 F100 G102 L109	P66-E105 HydrophobicContact CB-CG 4.36Å; P66-E105 HydrophobicContact CG-CB 4.49Å; P66-E105 HydrophobicContact CG-CG 4.07Å; Q67-E105 PolarHBondContact NE2-OE1 3.38Å; F100-E105 WeakPolarHBondContact O-CG 3.48Å; G102-E105 WeakPolarHBondContact CA-OE2 3.18Å; G102-E105 PolarHBondContact N-OE2 2.79Å; G102-E105 VanDerWaalsContact N-OE2 3.13Å; E105-L109 VanDerWaalsContact O-CB 3.32Å; E105-L109 WeakPolarHBondContact O-CB 3.16Å; E105-L109 PolarHBondContact O-N 3.39Å
106	L	91.3	Very high	90.5	Very high	108 Å²	108	68.2 Å²	68.2	57%	0.565	34%	0.336	S	S	*	.	H	α-helix	trans	-68.9	-43.1	177.8	-173.7	62.1	0	0	0	111.8	G102 E103 K104 L109 T110	G102-L106 PolarHBondContact O-N 3.15Å; G102-L106 VanDerWaalsContact O-N 3.11Å; E103-L106 PolarHBondContact O-N 3.1Å; K104-L106 VanDerWaalsContact C-N 3.31Å; K104-L106 PolarHBondContact O-N 3.25Å; L106-L109 HydrophobicContact CD1-CD2 4.46Å; L106-L109 WeakPolarHBondContact O-CB 3.36Å; L106-L109 PolarHBondContact O-N 3.07Å; L106-T110 WeakPolarHBondContact O-CB 3.41Å; L106-T110 PolarHBondContact O-N 3.37Å; L106-T110 PolarHBondContact O-OG1 2.69Å
107	Q	92	Very high	90.3	Very high	94 Å²	94	74.9 Å²	74.9	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-59.4	-48	175.7	-74	174.6	11.6	0	0	111	E103 K104 L109 T110 V111	E103-Q107 HydrophobicContact CG-CG 4.45Å; E103-Q107 WeakPolarHBondContact O-CB 3.14Å; E103-Q107 VanDerWaalsContact O-CG 3.24Å; E103-Q107 WeakPolarHBondContact O-CG 3.34Å; E103-Q107 PolarHBondContact O-N 2.96Å; E103-Q107 PolarHBondContact OE1-NE2 2.84Å; E103-Q107 VanDerWaalsContact OE1-NE2 3.09Å; K104-Q107 PolarHBondContact O-N 3.22Å; Q107-L109 VanDerWaalsContact C-N 3.34Å; Q107-L109 PolarHBondContact O-N 3.48Å; Q107-T110 PolarHBondContact O-N 2.81Å; Q107-V111 WeakPolarHBondContact O-CG2 3.43Å; Q107-V111 PolarHBondContact O-N 3.5Å
108	V	93.1	Very high	90.1	Very high	1 Å²	1	76.5 Å²	76.5	1%	0.006	40%	0.403	C	S	.	.	H	α-helix	trans	-59.3	-45.7	175.6	172.1	0	0	0	0	110.8	V64 P66 L69 L73 L78 L96 K104 T110 V111 I112	V64-V108 HydrophobicContact CG1-CG1 4.27Å; P66-V108 HydrophobicContact CB-CG2 4.06Å; P66-V108 HydrophobicContact CG-CB 4.38Å; P66-V108 HydrophobicContact CG-CG1 4.43Å; P66-V108 HydrophobicContact CG-CG2 4.31Å; L69-V108 HydrophobicContact CD1-CG1 4.22Å; L69-V108 HydrophobicContact CD1-CG2 3.75Å; L73-V108 HydrophobicContact CD1-CG2 3.91Å; L73-V108 HydrophobicContact CD2-CG2 3.92Å; L78-V108 HydrophobicContact CD2-CG1 3.94Å; L96-V108 HydrophobicContact CD1-CG1 3.82Å; K104-V108 VanDerWaalsContact O-CG2 3.3Å; K104-V108 WeakPolarHBondContact O-CG2 3.35Å; K104-V108 PolarHBondContact O-N 3.26Å; V108-T110 PolarHBondContact O-N 2.89Å; V108-V111 PolarHBondContact O-N 3.23Å; V108-I112 HydrophobicContact CG1-CD1 3.78Å; V108-I112 HydrophobicContact CG1-CG1 4.42Å; V108-I112 VanDerWaalsContact O-CG1 3.28Å; V108-I112 WeakPolarHBondContact O-CG1 3.28Å; V108-I112 PolarHBondContact O-N 2.89Å
109	L	93.5	Very high	90.2	Very high	42 Å²	42	78.3 Å²	78.3	22%	0.22	42%	0.415	C	S	.	.	H	α-helix	trans	-58.7	-46.4	176.7	179.7	62.7	0	0	0	111.7	L96 E105 L106 Q107 I112 Q113 I123	L96-L109 HydrophobicContact CD2-CB 3.88Å; L96-L109 HydrophobicContact CD2-CD1 3.97Å; L96-L109 HydrophobicContact CD2-CG 4.41Å; E105-L109 VanDerWaalsContact O-CB 3.32Å; E105-L109 WeakPolarHBondContact O-CB 3.16Å; E105-L109 PolarHBondContact O-N 3.39Å; L106-L109 HydrophobicContact CD1-CD2 4.46Å; L106-L109 WeakPolarHBondContact O-CB 3.36Å; L106-L109 PolarHBondContact O-N 3.07Å; Q107-L109 VanDerWaalsContact C-N 3.34Å; Q107-L109 PolarHBondContact O-N 3.48Å; L109-I112 PolarHBondContact O-N 2.96Å; L109-Q113 HydrophobicContact CD1-CG 4.09Å; L109-Q113 HydrophobicContact CG-CG 4.37Å; L109-Q113 WeakPolarHBondContact O-CB 3.36Å; L109-Q113 VanDerWaalsContact O-CG 3.25Å; L109-Q113 WeakPolarHBondContact O-CG 3.23Å; L109-Q113 PolarHBondContact O-N 2.85Å; L109-I123 HydrophobicContact CD1-CD1 3.66Å; L109-I123 HydrophobicContact CD1-CG2 3.9Å
110	T	92.7	Very high	90.6	Very high	76 Å²	76	79.3 Å²	79.3	47%	0.466	42%	0.418	S	S	.	.	H	α-helix	trans	-62	-43.5	178.9	-62.5	0	0	0	0	111.6	L106 Q107 V108 Q113 H114	L106-T110 WeakPolarHBondContact O-CB 3.41Å; L106-T110 PolarHBondContact O-N 3.37Å; L106-T110 PolarHBondContact O-OG1 2.69Å; Q107-T110 PolarHBondContact O-N 2.81Å; V108-T110 PolarHBondContact O-N 2.89Å; T110-Q113 PolarHBondContact O-N 3.39Å; T110-H114 VanDerWaalsContact O-CB 3.26Å; T110-H114 WeakPolarHBondContact O-CB 3.39Å; T110-H114 PolarHBondContact O-N 3.44Å
111	V	93.6	Very high	91.4	Very high	44 Å²	44	72.1 Å²	72.1	27%	0.267	39%	0.388	S	S	.	.	H	α-helix	trans	-61.9	-48.1	177.4	168.6	0	0	0	0	111.1	L73 Q107 V108 Q113 H114 R115	L73-V111 HydrophobicContact CD2-CB 4.09Å; L73-V111 HydrophobicContact CD2-CG1 4.46Å; L73-V111 HydrophobicContact CD2-CG2 3.68Å; Q107-V111 WeakPolarHBondContact O-CG2 3.43Å; Q107-V111 PolarHBondContact O-N 3.5Å; V108-V111 PolarHBondContact O-N 3.23Å; V111-Q113 PolarHBondContact O-N 3.1Å; V111-H114 PolarHBondContact O-N 3.35Å; V111-R115 WeakPolarHBondContact O-CB 3.45Å; V111-R115 PolarHBondContact O-N 2.93Å; V111-R115 VanDerWaalsContact O-N 3.08Å
112	I	94.3	Very high	92.3	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-62.6	-46	178.5	-63.1	171.4	0	0	0	110.3	L78 I82 V94 V108 L109 R115 F116 L121 I123	L78-I112 HydrophobicContact CD2-CD1 4.24Å; L78-I112 HydrophobicContact CD2-CG1 4.2Å; I82-I112 HydrophobicContact CD1-CD1 3.87Å; I82-I112 HydrophobicContact CD1-CG1 3.73Å; I82-I112 HydrophobicContact CD1-CG2 4.35Å; V94-I112 HydrophobicContact CG1-CD1 4.16Å; V108-I112 HydrophobicContact CG1-CD1 3.78Å; V108-I112 HydrophobicContact CG1-CG1 4.42Å; V108-I112 VanDerWaalsContact O-CG1 3.28Å; V108-I112 WeakPolarHBondContact O-CG1 3.28Å; V108-I112 PolarHBondContact O-N 2.89Å; L109-I112 PolarHBondContact O-N 2.96Å; I112-R115 PolarHBondContact O-N 3.45Å; I112-F116 HydrophobicContact CG2-CD2 4.08Å; I112-F116 WeakPolarHBondContact O-CB 3.5Å; I112-F116 WeakPolarHBondContact O-CD2 3.36Å; I112-F116 PolarHBondContact O-N 3.04Å; I112-L121 HydrophobicContact CG2-CD2 3.96Å; I112-I123 HydrophobicContact CB-CD1 4.27Å; I112-I123 HydrophobicContact CG2-CD1 3.68Å; I112-I123 HydrophobicContact CG2-CG1 4.2Å
113	Q	93.9	Very high	92.8	Very high	96 Å²	96	70.5 Å²	70.5	45%	0.449	37%	0.368	S	S	.	.	H	α-helix	trans	-61.5	-50.8	179.1	-76.6	178.9	-23.1	0	0	111.5	L109 T110 V111 R115 F116 I117 I123	L109-Q113 HydrophobicContact CD1-CG 4.09Å; L109-Q113 HydrophobicContact CG-CG 4.37Å; L109-Q113 WeakPolarHBondContact O-CB 3.36Å; L109-Q113 VanDerWaalsContact O-CG 3.25Å; L109-Q113 WeakPolarHBondContact O-CG 3.23Å; L109-Q113 PolarHBondContact O-N 2.85Å; T110-Q113 PolarHBondContact O-N 3.39Å; V111-Q113 PolarHBondContact O-N 3.1Å; Q113-R115 VanDerWaalsContact C-N 3.25Å; Q113-R115 PolarHBondContact O-N 2.99Å; Q113-F116 PolarHBondContact O-N 3.38Å; Q113-I117 WeakPolarHBondContact O-CB 3.44Å; Q113-I117 PolarHBondContact O-N 3.46Å; Q113-I123 HydrophobicContact CG-CD1 3.69Å
114	H	93.5	Very high	93.1	Very high	163 Å²	163	65.5 Å²	65.5	76%	0.755	35%	0.346	S	S	*	.	H	α-helix	trans	-59	-38.9	-178.4	-174.6	-90.2	0	0	0	112.1	T110 V111	T110-H114 VanDerWaalsContact O-CB 3.26Å; T110-H114 WeakPolarHBondContact O-CB 3.39Å; T110-H114 PolarHBondContact O-N 3.44Å; V111-H114 PolarHBondContact O-N 3.35Å
115	R	94.1	Very high	93.3	Very high	140 Å²	140	67.6 Å²	67.6	53%	0.528	36%	0.364	S	S	.	.	H	α-helix	trans	-78.8	-37.6	-178.9	-177.6	63	174.5	-174.5	0.5	113.8	T79 E83 V111 I112 Q113	T79-R115 HydrophobicContact CG2-CG 3.77Å; E83-R115 IonicContact OE2-CZ 2.98Å; E83-R115 IonicContact OE2-NE 2.96Å; E83-R115 IonicContact OE2-NH2 3.98Å; E83-R115 PolarHBondContact OE2-NH2 2.87Å; V111-R115 WeakPolarHBondContact O-CB 3.45Å; V111-R115 PolarHBondContact O-N 2.93Å; V111-R115 VanDerWaalsContact O-N 3.08Å; I112-R115 PolarHBondContact O-N 3.45Å; Q113-R115 VanDerWaalsContact C-N 3.25Å; Q113-R115 PolarHBondContact O-N 2.99Å
116	F	94.7	Very high	93.5	Very high	19 Å²	19	67 Å²	67	8%	0.083	36%	0.361	C	S	.	.	H	α-helix	trans	-114.2	9.3	-168.3	-62.4	-77.9	0	0	0	114.1	T79 I82 E83 V86 I112 Q113 G118 S119 L121	T79-F116 HydrophobicContact CG2-CE2 4.31Å; T79-F116 HydrophobicContact CG2-CZ 4.17Å; I82-F116 HydrophobicContact CB-CE1 4.47Å; I82-F116 HydrophobicContact CB-CE2 3.81Å; I82-F116 HydrophobicContact CB-CZ 3.71Å; I82-F116 HydrophobicContact CD1-CE2 4.27Å; I82-F116 HydrophobicContact CG2-CD1 4.19Å; I82-F116 HydrophobicContact CG2-CD2 3.87Å; I82-F116 HydrophobicContact CG2-CE1 3.79Å; I82-F116 HydrophobicContact CG2-CE2 3.45Å; I82-F116 VanDerWaalsContact CG2-CE2 3.45Å; I82-F116 HydrophobicContact CG2-CG 4.23Å; I82-F116 HydrophobicContact CG2-CZ 3.41Å; I82-F116 VanDerWaalsContact CG2-CZ 3.41Å; E83-F116 HydrophobicContact CB-CE1 4.23Å; E83-F116 HydrophobicContact CB-CZ 4.22Å; V86-F116 HydrophobicContact CG2-CD1 4.47Å; I112-F116 HydrophobicContact CG2-CD2 4.08Å; I112-F116 WeakPolarHBondContact O-CB 3.5Å; I112-F116 WeakPolarHBondContact O-CD2 3.36Å; I112-F116 PolarHBondContact O-N 3.04Å; Q113-F116 PolarHBondContact O-N 3.38Å; F116-G118 PolarHBondContact O-N 2.83Å; F116-S119 VanDerWaalsContact O-CB 3.27Å; F116-S119 WeakPolarHBondContact O-CB 3.42Å; F116-S119 PolarHBondContact O-N 3.3Å; F116-S119 PolarHBondContact O-OG 2.99Å; F116-L121 HydrophobicContact CB-CB 4.35Å; F116-L121 HydrophobicContact CB-CD2 3.78Å; F116-L121 HydrophobicContact CD1-CD2 4.36Å; F116-L121 HydrophobicContact CD2-CD2 4.08Å; F116-L121 HydrophobicContact CG-CD2 3.81Å
117	I	91.3	Very high	93.5	Very high	144 Å²	144	68.9 Å²	68.9	74%	0.738	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	133.8	173.5	-164.4	160.9	0	0	0	110.7	Q113 S119	Q113-I117 WeakPolarHBondContact O-CB 3.44Å; Q113-I117 PolarHBondContact O-N 3.46Å; I117-S119 PolarHBondContact O-N 2.93Å
118	G	89.1	Confident	93.5	Very high	86 Å²	86	67.5 Å²	67.5	89%	0.887	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	-4.8	-176.6	0	0	0	0	0	115.2	F116	F116-G118 PolarHBondContact O-N 2.83Å
119	S	92.6	Very high	93.3	Very high	47 Å²	47	69.3 Å²	69.3	33%	0.329	37%	0.366	S	S	.	.	S	Bend	trans	-76.7	177.2	168.8	78.3	0	0	0	0	111.7	F116 I117 L121	F116-S119 VanDerWaalsContact O-CB 3.27Å; F116-S119 WeakPolarHBondContact O-CB 3.42Å; F116-S119 PolarHBondContact O-N 3.3Å; F116-S119 PolarHBondContact O-OG 2.99Å; I117-S119 PolarHBondContact O-N 2.93Å; S119-L121 PolarHBondContact O-N 2.83Å; S119-L121 WeakPolarHBondContact OG-CB 3.41Å; S119-L121 PolarHBondContact OG-N 3Å
120	N	92.6	Very high	93.2	Very high	61 Å²	61	70.3 Å²	70.3	33%	0.326	38%	0.38	S	S	.	.	S	Bend	trans	-75.6	-4.7	173.6	58.6	-48.5	0	0	0	114	V86 H89 R90 K122	V86-N120 WeakPolarHBondContact CG1-OD1 3.46Å; H89-N120 PolarHBondContact O-ND2 3.19Å; R90-N120 PolarHBondContact O-ND2 3.12Å; N120-K122 PolarHBondContact O-NZ 2.67Å
121	L	96.4	Very high	93.3	Very high	18 Å²	18	70.6 Å²	70.6	9%	0.094	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	133	176.9	-174	66.6	0	0	0	111.5	I82 V86 V94 I112 F116 S119	I82-L121 HydrophobicContact CG2-CD2 3.49Å; I82-L121 VanDerWaalsContact CG2-CD2 3.49Å; V86-L121 HydrophobicContact CG2-CB 3.86Å; V86-L121 HydrophobicContact CG2-CD1 3.9Å; V86-L121 HydrophobicContact CG2-CD2 4.22Å; V86-L121 HydrophobicContact CG2-CG 4.2Å; V94-L121 HydrophobicContact CB-CD1 4.44Å; V94-L121 HydrophobicContact CG2-CD1 3.89Å; V94-L121 HydrophobicContact CG2-CD2 4.13Å; V94-L121 HydrophobicContact CG2-CG 4.48Å; I112-L121 HydrophobicContact CG2-CD2 3.96Å; F116-L121 HydrophobicContact CB-CB 4.35Å; F116-L121 HydrophobicContact CB-CD2 3.78Å; F116-L121 HydrophobicContact CD1-CD2 4.36Å; F116-L121 HydrophobicContact CD2-CD2 4.08Å; F116-L121 HydrophobicContact CG-CD2 3.81Å; S119-L121 PolarHBondContact O-N 2.83Å; S119-L121 WeakPolarHBondContact OG-CB 3.41Å; S119-L121 PolarHBondContact OG-N 3Å
122	K	96.3	Very high	93.3	Very high	86 Å²	86	68.5 Å²	68.5	37%	0.374	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.6	173.7	-60.7	170.3	-162.2	78.4	0	109.2	N91 C92 F93 V94 N120	N91-K122 PolarHBondContact OD1-NZ 3.22Å; C92-K122 PolarHBondContact O-N 3.39Å; C92-K122 VanDerWaalsContact O-N 3.09Å; F93-K122 CarbonylContact C-O 3.49Å; F93-K122 WeakPolarHBondContact CA-O 3.3Å; F93-K122 HydrophobicContact CD1-CB 3.48Å; F93-K122 VanDerWaalsContact CD1-CB 3.48Å; F93-K122 HydrophobicContact CD1-CD 4.22Å; F93-K122 HydrophobicContact CD1-CG 4.46Å; F93-K122 HydrophobicContact CE1-CB 3.61Å; F93-K122 HydrophobicContact CE1-CD 3.49Å; F93-K122 VanDerWaalsContact CE1-CD 3.49Å; F93-K122 HydrophobicContact CE1-CG 4.18Å; F93-K122 HydrophobicContact CE2-CD 4.34Å; F93-K122 HydrophobicContact CG-CB 4.18Å; F93-K122 HydrophobicContact CZ-CB 4.39Å; F93-K122 HydrophobicContact CZ-CD 3.56Å; V94-K122 PolarHBondContact N-O 3.03Å; N120-K122 PolarHBondContact O-NZ 2.67Å
123	I	95.4	Very high	93.4	Very high	50 Å²	50	68.5 Å²	68.5	26%	0.256	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.3	179.2	-53.6	176.9	0	0	0	108.3	L96 L109 I112 Q113	L96-I123 HydrophobicContact CB-CG2 4.18Å; L109-I123 HydrophobicContact CD1-CD1 3.66Å; L109-I123 HydrophobicContact CD1-CG2 3.9Å; I112-I123 HydrophobicContact CB-CD1 4.27Å; I112-I123 HydrophobicContact CG2-CD1 3.68Å; I112-I123 HydrophobicContact CG2-CG1 4.2Å; Q113-I123 HydrophobicContact CG-CD1 3.69Å
124	L	95.3	Very high	93.4	Very high	42 Å²	42	71.1 Å²	71.1	22%	0.22	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	99.5	174.1	-178	61.9	0	0	0	108.9	V94 L95 L96 V126 I139	V94-L124 PolarHBondContact O-N 2.93Å; L95-L124 WeakPolarHBondContact CA-O 3Å; L95-L124 HydrophobicContact CD2-CB 4.16Å; L95-L124 HydrophobicContact CD2-CD2 3.69Å; L95-L124 HydrophobicContact CD2-CG 4.16Å; L96-L124 PolarHBondContact N-O 2.89Å; L96-L124 VanDerWaalsContact N-O 3.07Å; L124-V126 HydrophobicContact CD2-CG1 4.47Å; L124-V126 HydrophobicContact CG-CG1 4.15Å; L124-I139 HydrophobicContact CD2-CD1 3.73Å
125	P	93.6	Very high	93.5	Very high	85 Å²	85	64.1 Å²	64.1	55%	0.552	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.5	174.1	28.3	-33	0	0	0	110.3	L96	L96-P125 WeakPolarHBondContact O-CA 3.25Å
126	V	94.3	Very high	93.7	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138	-175.9	-72.1	0	0	0	0	110.1	L95 L96 Y97 S98 L124 Q131 I132	L95-V126 HydrophobicContact CB-CG2 4.35Å; L95-V126 HydrophobicContact CD2-CG1 4.14Å; L96-V126 WeakPolarHBondContact O-CG2 3.29Å; L96-V126 PolarHBondContact O-N 3.09Å; Y97-V126 WeakPolarHBondContact CA-O 2.95Å; Y97-V126 HydrophobicContact CD2-CG2 4.29Å; S98-V126 PolarHBondContact N-O 3.05Å; L124-V126 HydrophobicContact CD2-CG1 4.47Å; L124-V126 HydrophobicContact CG-CG1 4.15Å; V126-Q131 HydrophobicContact CB-CB 4.47Å; V126-I132 HydrophobicContact CB-CG1 3.95Å; V126-I132 HydrophobicContact CG1-CG1 4.4Å; V126-I132 HydrophobicContact CG2-CD1 4.43Å; V126-I132 HydrophobicContact CG2-CG1 3.69Å
127	R	91.8	Very high	93.7	Very high	148 Å²	148	57.3 Å²	57.3	56%	0.558	32%	0.321	S	S	*	.	S	Bend	trans	-102.5	-16.7	-172.5	-58.2	-167.1	175.2	171.6	-2	115.3	S98	S98-R127 WeakPolarHBondContact O-CG 3.44Å
128	N	91.2	Very high	93.9	Very high	65 Å²	65	54.4 Å²	54.4	35%	0.348	31%	0.31	S	S	.	.	S	Bend	trans	-162.1	166.5	-178.6	58.7	52.4	0	0	0	110.5	A130 Q131 I132	N128-A130 VanDerWaalsContact C-N 3.28Å; N128-A130 PolarHBondContact O-N 3.26Å; N128-A130 WeakPolarHBondContact OD1-CB 3.14Å; N128-A130 PolarHBondContact OD1-N 3.06Å; N128-Q131 WeakPolarHBondContact O-CB 3.07Å; N128-Q131 PolarHBondContact O-N 3.27Å; N128-Q131 WeakPolarHBondContact OD1-CG 3.27Å; N128-Q131 PolarHBondContact OD1-N 2.67Å; N128-I132 WeakPolarHBondContact O-CG1 3.49Å; N128-I132 PolarHBondContact O-N 2.9Å
129	D	89.8	Confident	94.2	Very high	39 Å²	39	52 Å²	52	21%	0.209	28%	0.276	C	S	.	.	H	α-helix	trans	-54.8	-38.3	179.2	-77.6	-64.9	0	0	0	114.8	H28 D29 T30 Q131 I132 A133	H28-D129 IonicContact CE1-OD1 3.68Å; H28-D129 PolarHBondContact CE1-OD1 3.22Å; H28-D129 IonicContact ND1-OD1 3.38Å; H28-D129 PolarHBondContact ND1-OD1 3.25Å; D29-D129 HydrophobicContact CB-CB 4.5Å; T30-D129 PolarHBondContact N-OD1 3.39Å; T30-D129 PolarHBondContact OG1-OD1 2.96Å; D129-Q131 VanDerWaalsContact C-N 3.29Å; D129-Q131 PolarHBondContact O-N 2.83Å; D129-I132 WeakPolarHBondContact O-CB 3.45Å; D129-I132 PolarHBondContact O-N 2.76Å; D129-A133 PolarHBondContact O-N 3.27Å
130	A	90.6	Very high	94.4	Very high	63 Å²	63	49.7 Å²	49.7	52%	0.521	26%	0.26	S	S	.	.	H	α-helix	trans	-64.2	-38.3	178.8	0	0	0	0	0	111.1	N128 K134	N128-A130 VanDerWaalsContact C-N 3.28Å; N128-A130 PolarHBondContact O-N 3.26Å; N128-A130 WeakPolarHBondContact OD1-CB 3.14Å; N128-A130 PolarHBondContact OD1-N 3.06Å; A130-K134 WeakPolarHBondContact O-CB 3.43Å; A130-K134 PolarHBondContact O-N 3.08Å
131	Q	94	Very high	94.5	Very high	82 Å²	82	50.4 Å²	50.4	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-69.8	-35.8	173.5	-71.4	-173	18.7	0	0	112.4	V126 N128 D129 G135	V126-Q131 HydrophobicContact CB-CB 4.47Å; N128-Q131 WeakPolarHBondContact O-CB 3.07Å; N128-Q131 PolarHBondContact O-N 3.27Å; N128-Q131 WeakPolarHBondContact OD1-CG 3.27Å; N128-Q131 PolarHBondContact OD1-N 2.67Å; D129-Q131 VanDerWaalsContact C-N 3.29Å; D129-Q131 PolarHBondContact O-N 2.83Å; Q131-G135 WeakPolarHBondContact O-CA 3.47Å; Q131-G135 PolarHBondContact O-N 3.47Å
132	I	95.4	Very high	94.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56.8	-58.9	173.8	-64.6	173.7	0	0	0	109.8	T30 L63 L95 Y97 V126 N128 D129 K134 G135 M136	T30-I132 HydrophobicContact CG2-CB 4.48Å; T30-I132 HydrophobicContact CG2-CG2 3.73Å; L63-I132 HydrophobicContact CD1-CD1 3.97Å; L95-I132 HydrophobicContact CD1-CG2 4.13Å; Y97-I132 HydrophobicContact CD2-CD1 3.94Å; Y97-I132 HydrophobicContact CE2-CD1 4.23Å; V126-I132 HydrophobicContact CB-CG1 3.95Å; V126-I132 HydrophobicContact CG1-CG1 4.4Å; V126-I132 HydrophobicContact CG2-CD1 4.43Å; V126-I132 HydrophobicContact CG2-CG1 3.69Å; N128-I132 WeakPolarHBondContact O-CG1 3.49Å; N128-I132 PolarHBondContact O-N 2.9Å; D129-I132 WeakPolarHBondContact O-CB 3.45Å; D129-I132 PolarHBondContact O-N 2.76Å; I132-K134 PolarHBondContact O-N 3.37Å; I132-G135 PolarHBondContact O-N 2.91Å; I132-M136 HydrophobicContact CG2-CE 3.75Å; I132-M136 HydrophobicContact CG2-SD 4.46Å; I132-M136 WeakPolarHBondContact O-CG 3.44Å; I132-M136 PolarHBondContact O-N 2.83Å
133	A	94.8	Very high	94	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-48.2	-178.4	0	0	0	0	0	111.6	T30 T33 L34 D129 G135 L137	T30-A133 HydrophobicContact CG2-CB 4.41Å; T33-A133 HydrophobicContact CG2-CB 3.74Å; L34-A133 HydrophobicContact CD2-CB 4.19Å; D129-A133 PolarHBondContact O-N 3.27Å; A133-G135 PolarHBondContact O-N 3.44Å; A133-L137 WeakPolarHBondContact O-CB 3.16Å; A133-L137 WeakPolarHBondContact O-CD1 3.46Å; A133-L137 WeakPolarHBondContact O-CG 3.45Å; A133-L137 PolarHBondContact O-N 3.49Å
134	K	95	Very high	93.8	Very high	151 Å²	151	47.8 Å²	47.8	66%	0.657	26%	0.259	S	S	*	.	H	α-helix	trans	-61.2	-44.5	-179.8	-176.3	179.9	179	-177.7	0	112	A130 I132 T138	A130-K134 WeakPolarHBondContact O-CB 3.43Å; A130-K134 PolarHBondContact O-N 3.08Å; I132-K134 PolarHBondContact O-N 3.37Å; K134-T138 VanDerWaalsContact O-CB 3.27Å; K134-T138 WeakPolarHBondContact O-CB 3.39Å; K134-T138 PolarHBondContact O-N 3.4Å; K134-T138 PolarHBondContact O-OG1 3.34Å
135	G	95.8	Very high	93.3	Very high	17 Å²	17	53.2 Å²	53.2	18%	0.175	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-52	179.9	0	0	0	0	0	111.8	Q131 I132 A133 L137 T138 I139	Q131-G135 WeakPolarHBondContact O-CA 3.47Å; Q131-G135 PolarHBondContact O-N 3.47Å; I132-G135 PolarHBondContact O-N 2.91Å; A133-G135 PolarHBondContact O-N 3.44Å; G135-L137 PolarHBondContact O-N 2.86Å; G135-T138 PolarHBondContact O-N 3.4Å; G135-I139 WeakPolarHBondContact O-CG1 3.38Å; G135-I139 PolarHBondContact O-N 2.94Å; G135-I139 VanDerWaalsContact O-N 3.1Å
136	M	96.9	Very high	92.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.9	-50.5	176.9	-71.3	-167.5	-63.8	0	0	112.1	T30 L34 F52 F54 F61 L95 I132 T138 I139 A140	T30-M136 HydrophobicContact CG2-CE 3.69Å; L34-M136 HydrophobicContact CD1-CE 4.14Å; F52-M136 HydrophobicContact CB-SD 3.71Å; F52-M136 HydrophobicContact CD1-CE 3.88Å; F52-M136 HydrophobicContact CD1-SD 3.97Å; F52-M136 HydrophobicContact CD2-CE 4.37Å; F52-M136 HydrophobicContact CD2-SD 3.73Å; F52-M136 HydrophobicContact CE1-CE 3.97Å; F52-M136 HydrophobicContact CE1-SD 4.49Å; F52-M136 HydrophobicContact CE2-CE 4.43Å; F52-M136 HydrophobicContact CE2-SD 4.27Å; F52-M136 HydrophobicContact CG-CE 4.08Å; F52-M136 HydrophobicContact CG-SD 3.55Å; F52-M136 VanDerWaalsContact CG-SD 3.55Å; F52-M136 HydrophobicContact CZ-CE 4.22Å; F54-M136 HydrophobicContact CE2-CB 4.03Å; F54-M136 HydrophobicContact CE2-SD 4.15Å; F54-M136 HydrophobicContact CZ-CB 3.95Å; F61-M136 HydrophobicContact CB-CG 4.28Å; F61-M136 HydrophobicContact CB-SD 4.02Å; F61-M136 HydrophobicContact CD1-CG 3.82Å; F61-M136 HydrophobicContact CD2-CB 4.23Å; F61-M136 HydrophobicContact CD2-CG 3.81Å; F61-M136 HydrophobicContact CD2-SD 3.99Å; F61-M136 HydrophobicContact CE1-CB 4.47Å; F61-M136 HydrophobicContact CE1-CG 4.11Å; F61-M136 HydrophobicContact CE2-CB 4.04Å; F61-M136 HydrophobicContact CE2-CG 4.07Å; F61-M136 HydrophobicContact CG-CG 3.7Å; F61-M136 HydrophobicContact CG-SD 3.97Å; F61-M136 HydrophobicContact CZ-CB 4.18Å; F61-M136 HydrophobicContact CZ-CG 4.23Å; L95-M136 HydrophobicContact CD1-CG 3.78Å; L95-M136 HydrophobicContact CD1-SD 3.64Å; L95-M136 HydrophobicContact CD2-CG 4.17Å; I132-M136 HydrophobicContact CG2-CE 3.75Å; I132-M136 HydrophobicContact CG2-SD 4.46Å; I132-M136 WeakPolarHBondContact O-CG 3.44Å; I132-M136 PolarHBondContact O-N 2.83Å; M136-T138 VanDerWaalsContact C-N 3.35Å; M136-T138 PolarHBondContact O-N 3Å; M136-I139 PolarHBondContact O-N 3.45Å; M136-A140 WeakPolarHBondContact O-CB 3.2Å; M136-A140 PolarHBondContact O-N 3.44Å
137	L	95.9	Very high	92.5	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.084	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-37.7	-177.5	-68.1	170.9	0	0	0	112.3	W15 I19 L34 H39 F54 A133 G135 K141	W15-L137 HydrophobicContact CH2-CD2 4.44Å; W15-L137 HydrophobicContact CZ3-CB 4.28Å; W15-L137 HydrophobicContact CZ3-CD2 3.66Å; I19-L137 HydrophobicContact CD1-CD2 4.46Å; L34-L137 HydrophobicContact CD2-CD1 3.86Å; L34-L137 HydrophobicContact CD2-CD2 3.97Å; L34-L137 HydrophobicContact CD2-CG 3.95Å; H39-L137 WeakPolarHBondContact NE2-CD2 3.27Å; F54-L137 HydrophobicContact CE1-CD2 3.93Å; F54-L137 HydrophobicContact CZ-CD2 4.35Å; A133-L137 WeakPolarHBondContact O-CB 3.16Å; A133-L137 WeakPolarHBondContact O-CD1 3.46Å; A133-L137 WeakPolarHBondContact O-CG 3.45Å; A133-L137 PolarHBondContact O-N 3.49Å; G135-L137 PolarHBondContact O-N 2.86Å; L137-K141 WeakPolarHBondContact O-CB 3.26Å; L137-K141 PolarHBondContact O-N 3.25Å
138	T	95.4	Very high	92.3	Very high	83 Å²	83	50.2 Å²	50.2	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-49.6	177.4	-59.9	0	0	0	0	110.6	K134 G135 M136 A142	K134-T138 VanDerWaalsContact O-CB 3.27Å; K134-T138 WeakPolarHBondContact O-CB 3.39Å; K134-T138 PolarHBondContact O-N 3.4Å; K134-T138 PolarHBondContact O-OG1 3.34Å; G135-T138 PolarHBondContact O-N 3.4Å; M136-T138 VanDerWaalsContact C-N 3.35Å; M136-T138 PolarHBondContact O-N 3Å; T138-A142 VanDerWaalsContact O-CB 3.28Å; T138-A142 WeakPolarHBondContact O-CB 3.42Å; T138-A142 PolarHBondContact O-N 2.96Å
139	I	96	Very high	92.3	Very high	34 Å²	34	50.1 Å²	50.1	17%	0.174	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-48.6	180	-67.3	167.9	0	0	0	110.5	T59 F61 F93 L124 G135 M136 K141 A142 T143	T59-I139 HydrophobicContact CG2-CG2 4.19Å; F61-I139 HydrophobicContact CE1-CB 4.4Å; F61-I139 HydrophobicContact CE1-CD1 4.07Å; F61-I139 HydrophobicContact CE1-CG2 4.36Å; F61-I139 HydrophobicContact CZ-CB 4Å; F61-I139 HydrophobicContact CZ-CG2 3.93Å; F93-I139 HydrophobicContact CD1-CD1 4.2Å; F93-I139 HydrophobicContact CD2-CG2 4.49Å; F93-I139 HydrophobicContact CE1-CD1 3.89Å; F93-I139 HydrophobicContact CE1-CG2 4.4Å; F93-I139 HydrophobicContact CE2-CG2 3.71Å; F93-I139 HydrophobicContact CZ-CD1 4.21Å; F93-I139 HydrophobicContact CZ-CG2 3.65Å; L124-I139 HydrophobicContact CD2-CD1 3.73Å; G135-I139 WeakPolarHBondContact O-CG1 3.38Å; G135-I139 PolarHBondContact O-N 2.94Å; G135-I139 VanDerWaalsContact O-N 3.1Å; M136-I139 PolarHBondContact O-N 3.45Å; I139-K141 VanDerWaalsContact C-N 3.31Å; I139-K141 PolarHBondContact O-N 3.23Å; I139-A142 PolarHBondContact O-N 2.84Å; I139-T143 HydrophobicContact CG2-CG2 4.41Å; I139-T143 WeakPolarHBondContact O-CB 3.25Å; I139-T143 WeakPolarHBondContact O-CG2 3.49Å; I139-T143 PolarHBondContact O-N 2.95Å; I139-T143 PolarHBondContact O-OG1 3.09Å
140	A	95.7	Very high	92.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-39.8	-179.5	0	0	0	0	0	111.7	W15 F54 S57 M136 T143 S144	W15-A140 HydrophobicContact CH2-CB 3.97Å; F54-A140 HydrophobicContact CB-CB 4.08Å; F54-A140 HydrophobicContact CD1-CB 3.48Å; F54-A140 VanDerWaalsContact CD1-CB 3.48Å; F54-A140 HydrophobicContact CD2-CB 4.2Å; F54-A140 HydrophobicContact CE1-CB 3.88Å; F54-A140 HydrophobicContact CG-CB 3.65Å; F54-A140 HydrophobicContact CZ-CB 4.4Å; S57-A140 WeakPolarHBondContact CB-O 3.39Å; M136-A140 WeakPolarHBondContact O-CB 3.2Å; M136-A140 PolarHBondContact O-N 3.44Å; A140-T143 WeakPolarHBondContact CA-OG1 3.46Å; A140-T143 PolarHBondContact O-OG1 3.18Å; A140-S144 WeakPolarHBondContact O-CB 3.24Å; A140-S144 PolarHBondContact O-N 2.87Å; A140-S144 VanDerWaalsContact O-N 3.1Å
141	K	94.3	Very high	92.3	Very high	75 Å²	75	55.1 Å²	55.1	33%	0.326	29%	0.288	S	S	.	.	H	α-helix	trans	-64.5	-51.4	174.4	-173.6	176	-177.9	178.7	0	110.9	W15 L137 I139 T143 S144 H147	W15-K141 HydrophobicContact CB-CD 4.09Å; W15-K141 HydrophobicContact CD2-CB 4Å; W15-K141 HydrophobicContact CD2-CD 3.99Å; W15-K141 HydrophobicContact CD2-CG 3.82Å; W15-K141 HydrophobicContact CE3-CB 3.95Å; W15-K141 HydrophobicContact CE3-CD 4.13Å; W15-K141 HydrophobicContact CE3-CG 4.17Å; W15-K141 HydrophobicContact CG-CD 3.96Å; W15-K141 HydrophobicContact CG-CG 4.02Å; W15-K141 HydrophobicContact CH2-CB 3.95Å; W15-K141 HydrophobicContact CZ2-CB 4.02Å; W15-K141 HydrophobicContact CZ2-CG 4.47Å; W15-K141 HydrophobicContact CZ3-CB 3.91Å; L137-K141 WeakPolarHBondContact O-CB 3.26Å; L137-K141 PolarHBondContact O-N 3.25Å; I139-K141 VanDerWaalsContact C-N 3.31Å; I139-K141 PolarHBondContact O-N 3.23Å; K141-T143 PolarHBondContact O-N 3.04Å; K141-S144 PolarHBondContact O-N 3.41Å; K141-S144 VanDerWaalsContact O-N 3.15Å; K141-S144 PolarHBondContact O-OG 3.37Å; K141-H147 VanDerWaalsContact CE-CE1 3.45Å; K141-H147 WeakPolarHBondContact CE-CE1 3.28Å; K141-H147 WeakPolarHBondContact CE-NE2 3.32Å; K141-H147 WeakPolarHBondContact O-CB 3.33Å
142	A	92.1	Very high	92.1	Very high	40 Å²	40	58.7 Å²	58.7	33%	0.331	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-28.7	-178	0	0	0	0	0	113.6	T138 I139 A148 I151	T138-A142 VanDerWaalsContact O-CB 3.28Å; T138-A142 WeakPolarHBondContact O-CB 3.42Å; T138-A142 PolarHBondContact O-N 2.96Å; I139-A142 PolarHBondContact O-N 2.84Å; A142-A148 WeakPolarHBondContact O-CA 3.39Å; A142-I151 HydrophobicContact CB-CD1 4.05Å
143	T	90.9	Very high	92	Very high	54 Å²	54	64.5 Å²	64.5	33%	0.331	33%	0.325	S	S	.	.	H	α-helix	trans	-92.8	-10.3	179.8	52.4	0	0	0	0	113.9	T59 I139 A140 K141	T59-T143 PolarHBondContact OG1-OG1 3.08Å; I139-T143 HydrophobicContact CG2-CG2 4.41Å; I139-T143 WeakPolarHBondContact O-CB 3.25Å; I139-T143 WeakPolarHBondContact O-CG2 3.49Å; I139-T143 PolarHBondContact O-N 2.95Å; I139-T143 PolarHBondContact O-OG1 3.09Å; A140-T143 WeakPolarHBondContact CA-OG1 3.46Å; A140-T143 PolarHBondContact O-OG1 3.18Å; K141-T143 PolarHBondContact O-N 3.04Å
144	S	90.9	Very high	92	Very high	5 Å²	5	72.9 Å²	72.9	4%	0.035	36%	0.356	C	S	.	.	S	Bend	trans	-73.7	143.5	176.2	69.7	0	0	0	0	112.1	A140 K141 H147 A148	A140-S144 WeakPolarHBondContact O-CB 3.24Å; A140-S144 PolarHBondContact O-N 2.87Å; A140-S144 VanDerWaalsContact O-N 3.1Å; K141-S144 PolarHBondContact O-N 3.41Å; K141-S144 VanDerWaalsContact O-N 3.15Å; K141-S144 PolarHBondContact O-OG 3.37Å; S144-H147 PolarHBondContact O-N 2.85Å; S144-H147 PolarHBondContact OG-CD2 2.9Å; S144-A148 WeakPolarHBondContact O-CB 3.02Å; S144-A148 PolarHBondContact O-N 2.84Å
145	K	84.9	Confident	91.9	Very high	157 Å²	157	71.8 Å²	71.8	68%	0.683	36%	0.355	S	S	*	.	H	α-helix	trans	-47.3	-55.9	-166.9	-165.7	172.4	-178.6	173.8	0	116.2	H147 A148 D149	K145-H147 PolarHBondContact O-N 3.35Å; K145-A148 PolarHBondContact O-N 3.07Å; K145-D149 WeakPolarHBondContact CG-OD2 3.44Å; K145-D149 WeakPolarHBondContact O-CB 3.45Å; K145-D149 PolarHBondContact O-N 3.43Å
146	P	84.8	Confident	91.9	Very high	93 Å²	93	74.7 Å²	74.7	60%	0.604	37%	0.373	S	S	*	.	H	α-helix	trans	-64.5	-30.6	-177.7	26.4	-34.7	0	0	0	112.8	K150	P146-K150 WeakPolarHBondContact O-CB 3.41Å; P146-K150 PolarHBondContact O-N 3.36Å
147	H	86.6	Confident	91.8	Very high	57 Å²	57	80 Å²	80	26%	0.264	40%	0.401	S	S	.	.	H	α-helix	trans	-82.1	-41.7	179.4	-70.4	-61.5	0	0	0	112.1	W15 K141 S144 K145 D149 K150 I151	W15-H147 AromaticContact CD1-CD2 3.87Å; W15-H147 AromaticContact CD1-NE2 3.37Å; W15-H147 AromaticContact NE1-CD2 3.93Å; W15-H147 AromaticContact NE1-NE2 3.92Å; K141-H147 VanDerWaalsContact CE-CE1 3.45Å; K141-H147 WeakPolarHBondContact CE-CE1 3.28Å; K141-H147 WeakPolarHBondContact CE-NE2 3.32Å; K141-H147 WeakPolarHBondContact O-CB 3.33Å; S144-H147 PolarHBondContact O-N 2.85Å; S144-H147 PolarHBondContact OG-CD2 2.9Å; K145-H147 PolarHBondContact O-N 3.35Å; H147-D149 VanDerWaalsContact C-N 3.33Å; H147-D149 PolarHBondContact O-N 3.11Å; H147-K150 PolarHBondContact O-N 3.13Å; H147-I151 VanDerWaalsContact O-CG1 3.26Å; H147-I151 WeakPolarHBondContact O-CG1 3.26Å; H147-I151 PolarHBondContact O-N 3.33Å
148	A	88.2	Confident	91.7	Very high	22 Å²	22	81.4 Å²	81.4	18%	0.182	42%	0.415	C	S	.	.	H	α-helix	trans	-62.9	-40.8	176.8	0	0	0	0	0	111.4	A142 S144 K145 I151 R152	A142-A148 WeakPolarHBondContact O-CA 3.39Å; S144-A148 WeakPolarHBondContact O-CB 3.02Å; S144-A148 PolarHBondContact O-N 2.84Å; K145-A148 PolarHBondContact O-N 3.07Å; A148-I151 PolarHBondContact O-N 2.96Å; A148-R152 WeakPolarHBondContact O-CB 3.32Å; A148-R152 PolarHBondContact O-N 3.05Å
149	D	89.5	Confident	91.6	Very high	63 Å²	63	85.9 Å²	85.9	34%	0.337	42%	0.422	S	S	.	.	H	α-helix	trans	-65.9	-44.5	177	-68.1	-21.8	0	0	0	110.9	K145 H147 I151 R152 E153	K145-D149 WeakPolarHBondContact CG-OD2 3.44Å; K145-D149 WeakPolarHBondContact O-CB 3.45Å; K145-D149 PolarHBondContact O-N 3.43Å; H147-D149 VanDerWaalsContact C-N 3.33Å; H147-D149 PolarHBondContact O-N 3.11Å; D149-I151 VanDerWaalsContact C-N 3.34Å; D149-I151 PolarHBondContact O-N 3.17Å; D149-R152 PolarHBondContact O-N 3.4Å; D149-R152 IonicContact OD1-CZ 3.87Å; D149-R152 IonicContact OD1-NH1 2.89Å; D149-R152 PolarHBondContact OD1-NH1 2.86Å; D149-R152 IonicContact OD1-NH2 2.74Å; D149-E153 WeakPolarHBondContact O-CB 3.38Å; D149-E153 PolarHBondContact O-N 3.27Å
150	K	90.3	Very high	91.5	Very high	124 Å²	124	86.2 Å²	86.2	54%	0.539	43%	0.43	S	S	.	.	H	α-helix	trans	-61.3	-39.3	174.1	-173	171.7	-174.4	168.8	0	112.6	P146 H147 R154	P146-K150 WeakPolarHBondContact O-CB 3.41Å; P146-K150 PolarHBondContact O-N 3.36Å; H147-K150 PolarHBondContact O-N 3.13Å; K150-R154 WeakPolarHBondContact O-CG 3.43Å; K150-R154 PolarHBondContact O-N 3.02Å; K150-R154 VanDerWaalsContact O-N 3.07Å
151	I	89.8	Confident	91.3	Very high	83 Å²	83	91.6 Å²	91.6	43%	0.426	46%	0.455	S	S	.	.	H	α-helix	trans	-65.1	-45.8	174.8	-70.2	164.8	0	0	0	109.9	A142 H147 A148 D149 E153 R154 M155	A142-I151 HydrophobicContact CB-CD1 4.05Å; H147-I151 VanDerWaalsContact O-CG1 3.26Å; H147-I151 WeakPolarHBondContact O-CG1 3.26Å; H147-I151 PolarHBondContact O-N 3.33Å; A148-I151 PolarHBondContact O-N 2.96Å; D149-I151 VanDerWaalsContact C-N 3.34Å; D149-I151 PolarHBondContact O-N 3.17Å; I151-E153 PolarHBondContact O-N 2.92Å; I151-R154 PolarHBondContact O-N 3.36Å; I151-M155 HydrophobicContact CG2-CG 4.31Å; I151-M155 WeakPolarHBondContact O-CB 3.49Å; I151-M155 VanDerWaalsContact O-CG 3.28Å; I151-M155 WeakPolarHBondContact O-CG 3.49Å; I151-M155 PolarHBondContact O-N 2.91Å
152	R	91.1	Very high	91.2	Very high	157 Å²	157	93.5 Å²	93.5	59%	0.592	47%	0.467	S	S	*	.	H	α-helix	trans	-60.9	-44.5	178.9	-170.8	-175	-59.2	119	6.5	111.7	A148 D149 M155 S156	A148-R152 WeakPolarHBondContact O-CB 3.32Å; A148-R152 PolarHBondContact O-N 3.05Å; D149-R152 PolarHBondContact O-N 3.4Å; D149-R152 IonicContact OD1-CZ 3.87Å; D149-R152 IonicContact OD1-NH1 2.89Å; D149-R152 PolarHBondContact OD1-NH1 2.86Å; D149-R152 IonicContact OD1-NH2 2.74Å; R152-M155 PolarHBondContact O-N 3.34Å; R152-S156 WeakPolarHBondContact O-CB 3.45Å; R152-S156 PolarHBondContact O-N 3.47Å
153	E	93.9	Very high	91.1	Very high	122 Å²	122	95.1 Å²	95.1	57%	0.57	47%	0.47	S	S	*	.	H	α-helix	trans	-58.7	-51.8	176.1	-178.4	-176.6	-163.6	0	0	111	D149 I151 M155 S156 L157	D149-E153 WeakPolarHBondContact O-CB 3.38Å; D149-E153 PolarHBondContact O-N 3.27Å; I151-E153 PolarHBondContact O-N 2.92Å; E153-M155 VanDerWaalsContact C-N 3.32Å; E153-M155 PolarHBondContact O-N 3.1Å; E153-S156 WeakPolarHBondContact O-CB 3.28Å; E153-S156 PolarHBondContact O-N 3.36Å; E153-S156 VanDerWaalsContact O-N 3.1Å; E153-L157 HydrophobicContact CG-CD1 4.4Å; E153-L157 WeakPolarHBondContact O-CG 3.4Å; E153-L157 PolarHBondContact O-N 2.86Å
154	R	93.4	Very high	91	Very high	177 Å²	177	98.1 Å²	98.1	67%	0.668	48%	0.48	S	S	*	.	H	α-helix	trans	-60.4	-40.3	178	-72.7	-177.2	70.3	-179.4	3.4	112.7	K150 I151 S156 L157 A158	K150-R154 WeakPolarHBondContact O-CG 3.43Å; K150-R154 PolarHBondContact O-N 3.02Å; K150-R154 VanDerWaalsContact O-N 3.07Å; I151-R154 PolarHBondContact O-N 3.36Å; R154-S156 VanDerWaalsContact C-N 3.35Å; R154-L157 PolarHBondContact O-N 2.9Å; R154-A158 WeakPolarHBondContact O-CB 3.33Å; R154-A158 PolarHBondContact O-N 2.92Å
155	M	94.3	Very high	90.9	Very high	129 Å²	129	101.4 Å²	101.4	64%	0.635	50%	0.5	S	S	*	.	H	α-helix	trans	-66.6	-37.3	175.7	-71.5	-60.4	-69.2	0	0	111.9	I151 R152 E153 A158 R159	I151-M155 HydrophobicContact CG2-CG 4.31Å; I151-M155 WeakPolarHBondContact O-CB 3.49Å; I151-M155 VanDerWaalsContact O-CG 3.28Å; I151-M155 WeakPolarHBondContact O-CG 3.49Å; I151-M155 PolarHBondContact O-N 2.91Å; R152-M155 PolarHBondContact O-N 3.34Å; E153-M155 VanDerWaalsContact C-N 3.32Å; E153-M155 PolarHBondContact O-N 3.1Å; M155-A158 PolarHBondContact O-N 3.48Å; M155-R159 WeakPolarHBondContact O-CB 3.45Å; M155-R159 PolarHBondContact O-N 2.93Å
156	S	94.6	Very high	91.2	Very high	78 Å²	78	95.6 Å²	95.6	55%	0.545	48%	0.479	S	S	.	.	H	α-helix	trans	-63.9	-45	175.1	-167.5	0	0	0	0	111.5	R152 E153 R154 R159 A160	R152-S156 WeakPolarHBondContact O-CB 3.45Å; R152-S156 PolarHBondContact O-N 3.47Å; E153-S156 WeakPolarHBondContact O-CB 3.28Å; E153-S156 PolarHBondContact O-N 3.36Å; E153-S156 VanDerWaalsContact O-N 3.1Å; R154-S156 VanDerWaalsContact C-N 3.35Å; S156-R159 PolarHBondContact O-N 2.91Å; S156-A160 WeakPolarHBondContact O-CB 3.38Å; S156-A160 PolarHBondContact O-N 3.36Å
157	L	94.4	Very high	91.3	Very high	111 Å²	111	95.4 Å²	95.4	58%	0.581	48%	0.478	S	S	*	.	H	α-helix	trans	-63.6	-44.9	176	-70.3	172.5	0	0	0	111.8	E153 R154 R159 A160 H161	E153-L157 HydrophobicContact CG-CD1 4.4Å; E153-L157 WeakPolarHBondContact O-CG 3.4Å; E153-L157 PolarHBondContact O-N 2.86Å; R154-L157 PolarHBondContact O-N 2.9Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.42Å; L157-A160 PolarHBondContact O-N 3.38Å; L157-H161 WeakPolarHBondContact O-CB 3.48Å; L157-H161 PolarHBondContact O-N 3.46Å
158	A	94.7	Very high	91.4	Very high	46 Å²	46	97.1 Å²	97.1	38%	0.38	49%	0.492	S	S	.	.	H	α-helix	trans	-60.8	-42	176.5	0	0	0	0	0	111.6	R154 M155 H161 I162	R154-A158 WeakPolarHBondContact O-CB 3.33Å; R154-A158 PolarHBondContact O-N 2.92Å; M155-A158 PolarHBondContact O-N 3.48Å; A158-H161 PolarHBondContact O-N 3.44Å; A158-I162 WeakPolarHBondContact O-CD1 3.48Å; A158-I162 VanDerWaalsContact O-CG1 3.23Å; A158-I162 WeakPolarHBondContact O-CG1 3.29Å; A158-I162 PolarHBondContact O-N 2.97Å
159	R	93.9	Very high	91.3	Very high	177 Å²	177	101.5 Å²	101.5	67%	0.668	50%	0.504	S	S	*	.	H	α-helix	trans	-63.7	-44.9	175.7	-176.2	-179.1	177.4	-168.2	-0.9	111.8	M155 S156 L157 H161 I162 I163	M155-R159 WeakPolarHBondContact O-CB 3.45Å; M155-R159 PolarHBondContact O-N 2.93Å; S156-R159 PolarHBondContact O-N 2.91Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.42Å; R159-H161 VanDerWaalsContact C-N 3.34Å; R159-I162 PolarHBondContact O-N 3.27Å; R159-I163 HydrophobicContact CG-CD1 3.94Å; R159-I163 VanDerWaalsContact O-CG1 3.29Å; R159-I163 WeakPolarHBondContact O-CG1 3.19Å; R159-I163 PolarHBondContact O-N 3.06Å
160	A	92.6	Very high	91	Very high	40 Å²	40	103.4 Å²	103.4	33%	0.331	51%	0.511	S	S	.	.	H	α-helix	trans	-59.6	-46.9	176.9	0	0	0	0	0	110.8	S156 L157 I162 I163 E164	S156-A160 WeakPolarHBondContact O-CB 3.38Å; S156-A160 PolarHBondContact O-N 3.36Å; L157-A160 PolarHBondContact O-N 3.38Å; A160-I162 PolarHBondContact O-N 3.43Å; A160-I163 PolarHBondContact O-N 3.25Å; A160-I163 VanDerWaalsContact O-N 3.16Å; A160-E164 WeakPolarHBondContact O-CB 3.37Å; A160-E164 WeakPolarHBondContact O-CG 3.16Å; A160-E164 PolarHBondContact O-N 3.3Å
161	H	92.1	Very high	90.8	Very high	113 Å²	113	103.6 Å²	103.6	52%	0.523	52%	0.515	S	S	.	.	H	α-helix	trans	-58.8	-47.8	177.2	-172.7	62.5	0	0	0	112.2	L157 A158 R159 I163 E164 T165	L157-H161 WeakPolarHBondContact O-CB 3.48Å; L157-H161 PolarHBondContact O-N 3.46Å; A158-H161 PolarHBondContact O-N 3.44Å; R159-H161 VanDerWaalsContact C-N 3.34Å; H161-I163 VanDerWaalsContact C-N 3.26Å; H161-I163 PolarHBondContact O-N 2.86Å; H161-E164 PolarHBondContact O-N 3.16Å; H161-T165 WeakPolarHBondContact O-CG2 3.41Å; H161-T165 PolarHBondContact O-N 3.23Å; H161-T165 PolarHBondContact O-OG1 2.97Å
162	I	92.3	Very high	90.6	Very high	115 Å²	115	103.4 Å²	103.4	59%	0.59	52%	0.515	S	S	*	.	H	α-helix	trans	-57.9	-39.8	177.3	-70.4	164.9	0	0	0	111.7	A158 R159 A160 S166	A158-I162 WeakPolarHBondContact O-CD1 3.48Å; A158-I162 VanDerWaalsContact O-CG1 3.23Å; A158-I162 WeakPolarHBondContact O-CG1 3.29Å; A158-I162 PolarHBondContact O-N 2.97Å; R159-I162 PolarHBondContact O-N 3.27Å; A160-I162 PolarHBondContact O-N 3.43Å; I162-S166 WeakPolarHBondContact O-CB 3.31Å; I162-S166 PolarHBondContact O-N 2.94Å
163	I	90.3	Very high	90.1	Very high	75 Å²	75	101.9 Å²	101.9	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-70.3	-47.6	178.6	-67.5	167.1	0	0	0	110.3	R159 A160 H161 T165 S166 W169	R159-I163 HydrophobicContact CG-CD1 3.94Å; R159-I163 VanDerWaalsContact O-CG1 3.29Å; R159-I163 WeakPolarHBondContact O-CG1 3.19Å; R159-I163 PolarHBondContact O-N 3.06Å; A160-I163 PolarHBondContact O-N 3.25Å; A160-I163 VanDerWaalsContact O-N 3.16Å; H161-I163 VanDerWaalsContact C-N 3.26Å; H161-I163 PolarHBondContact O-N 2.86Å; I163-T165 VanDerWaalsContact C-N 3.31Å; I163-T165 PolarHBondContact O-N 3.05Å; I163-S166 WeakPolarHBondContact O-CB 3.48Å; I163-S166 PolarHBondContact O-N 3.38Å; I163-W169 HydrophobicContact CG2-CD2 4.32Å; I163-W169 HydrophobicContact CG2-CE3 4.47Å; I163-W169 HydrophobicContact CG2-CG 4.47Å; I163-W169 WeakPolarHBondContact O-CB 3.23Å
164	E	88.6	Confident	89.4	Confident	116 Å²	116	102.9 Å²	102.9	54%	0.542	52%	0.518	S	S	.	.	H	α-helix	trans	-63	-35.3	-178.5	-75	175.5	178.4	0	0	113.2	A160 H161 S166 R173	A160-E164 WeakPolarHBondContact O-CB 3.37Å; A160-E164 WeakPolarHBondContact O-CG 3.16Å; A160-E164 PolarHBondContact O-N 3.3Å; H161-E164 PolarHBondContact O-N 3.16Å; E164-S166 VanDerWaalsContact C-N 3.32Å; E164-R173 PolarHBondContact O-NH2 3.4Å
165	T	88.9	Confident	89	Confident	75 Å²	75	100.9 Å²	100.9	46%	0.46	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	7.3	175.9	66.5	0	0	0	0	112.9	H161 I163	H161-T165 WeakPolarHBondContact O-CG2 3.41Å; H161-T165 PolarHBondContact O-N 3.23Å; H161-T165 PolarHBondContact O-OG1 2.97Å; I163-T165 VanDerWaalsContact C-N 3.31Å; I163-T165 PolarHBondContact O-N 3.05Å
166	S	91.1	Very high	87.5	Confident	35 Å²	35	104.4 Å²	104.4	25%	0.245	54%	0.54	C	S	.	.			trans	-75.2	129.5	-179.8	-174.6	0	0	0	0	110.2	I162 I163 E164 V168 W169 E170	I162-S166 WeakPolarHBondContact O-CB 3.31Å; I162-S166 PolarHBondContact O-N 2.94Å; I163-S166 WeakPolarHBondContact O-CB 3.48Å; I163-S166 PolarHBondContact O-N 3.38Å; E164-S166 VanDerWaalsContact C-N 3.32Å; S166-V168 PolarHBondContact O-N 3.1Å; S166-V168 VanDerWaalsContact O-N 3.17Å; S166-V168 PolarHBondContact OG-N 3.16Å; S166-W169 WeakPolarHBondContact O-CA 3.49Å; S166-W169 WeakPolarHBondContact O-CB 3.48Å; S166-W169 PolarHBondContact O-N 3.02Å; S166-E170 PolarHBondContact O-N 3.34Å; S166-E170 VanDerWaalsContact O-N 3.09Å
167	P	87.1	Confident	87.1	Confident	88 Å²	88	105.7 Å²	105.7	57%	0.571	54%	0.539	S	S	*	.	H	α-helix	trans	-57.5	-31.4	173.9	-24.9	33.8	0	0	0	112.9	W169 E170 M171	P167-W169 VanDerWaalsContact C-N 3.32Å; P167-W169 PolarHBondContact O-N 3.46Å; P167-E170 PolarHBondContact O-N 3.09Å; P167-M171 WeakPolarHBondContact O-CG 3.36Å; P167-M171 PolarHBondContact O-N 3.35Å
168	V	88.1	Confident	86.7	Confident	93 Å²	93	105.4 Å²	105.4	56%	0.564	54%	0.537	S	S	*	.	H	α-helix	trans	-65.2	-38.4	175.3	179.2	0	0	0	0	110.9	S166 M171 L172	S166-V168 PolarHBondContact O-N 3.1Å; S166-V168 VanDerWaalsContact O-N 3.17Å; S166-V168 PolarHBondContact OG-N 3.16Å; V168-M171 PolarHBondContact O-N 3.32Å; V168-L172 HydrophobicContact CG1-CD1 4.22Å; V168-L172 VanDerWaalsContact O-CG 3.31Å; V168-L172 WeakPolarHBondContact O-CG 3.46Å; V168-L172 PolarHBondContact O-N 3.46Å
169	W	86	Confident	86.3	Confident	115 Å²	115	108.7 Å²	108.7	44%	0.436	55%	0.546	S	S	.	.	H	α-helix	trans	-71	-33.3	177.2	-171.2	-111.1	0	0	0	112.3	I163 S166 P167 L172 R173	I163-W169 HydrophobicContact CG2-CD2 4.32Å; I163-W169 HydrophobicContact CG2-CE3 4.47Å; I163-W169 HydrophobicContact CG2-CG 4.47Å; I163-W169 WeakPolarHBondContact O-CB 3.23Å; S166-W169 WeakPolarHBondContact O-CA 3.49Å; S166-W169 WeakPolarHBondContact O-CB 3.48Å; S166-W169 PolarHBondContact O-N 3.02Å; P167-W169 VanDerWaalsContact C-N 3.32Å; P167-W169 PolarHBondContact O-N 3.46Å; W169-L172 HydrophobicContact CE3-CD1 4.39Å; W169-R173 WeakPolarHBondContact O-CG 3.43Å; W169-R173 PolarHBondContact O-N 3.48Å; W169-R173 VanDerWaalsContact O-N 3.16Å
170	E	83.3	Confident	85.8	Confident	103 Å²	103	104.7 Å²	104.7	48%	0.481	54%	0.539	S	S	.	.	H	α-helix	trans	-62.8	-51	169	-70.6	178	169	0	0	111.6	S166 P167 L172 R173 D174	S166-E170 PolarHBondContact O-N 3.34Å; S166-E170 VanDerWaalsContact O-N 3.09Å; P167-E170 PolarHBondContact O-N 3.09Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.92Å; E170-R173 WeakPolarHBondContact O-CB 3.46Å; E170-R173 PolarHBondContact O-N 3.3Å; E170-R173 VanDerWaalsContact O-N 3.1Å; E170-D174 PolarHBondContact O-N 3.3Å
171	M	85.6	Confident	85.4	Confident	128 Å²	128	108.8 Å²	108.8	63%	0.631	55%	0.552	S	S	*	*	H	α-helix	trans	-57.9	-39.1	177.2	-70.7	-178.9	70.9	0	0	113.1	P167 V168 D174 I175	P167-M171 WeakPolarHBondContact O-CG 3.36Å; P167-M171 PolarHBondContact O-N 3.35Å; V168-M171 PolarHBondContact O-N 3.32Å; M171-D174 PolarHBondContact O-N 3.28Å; M171-I175 WeakPolarHBondContact O-CD1 3.39Å; M171-I175 WeakPolarHBondContact O-CG1 3.35Å
172	L	85.4	Confident	84.9	Confident	79 Å²	79	108.5 Å²	108.5	41%	0.414	55%	0.554	S	S	.	*	H	α-helix	trans	-69	-33.4	178.1	-74.3	170.6	0	0	0	112.8	V168 W169 E170 D174 I175 L176	V168-L172 HydrophobicContact CG1-CD1 4.22Å; V168-L172 VanDerWaalsContact O-CG 3.31Å; V168-L172 WeakPolarHBondContact O-CG 3.46Å; V168-L172 PolarHBondContact O-N 3.46Å; W169-L172 HydrophobicContact CE3-CD1 4.39Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.92Å; L172-D174 VanDerWaalsContact C-N 3.27Å; L172-D174 PolarHBondContact O-N 3.5Å; L172-I175 PolarHBondContact O-N 3.17Å; L172-L176 PolarHBondContact O-N 2.97Å
173	R	81.5	Confident	84.4	Confident	124 Å²	124	108 Å²	108	47%	0.468	55%	0.551	S	S	.	*	H	α-helix	trans	-66	-29.5	175.2	-83.2	-175.3	-72.2	-155.5	-3.9	112.8	E164 W169 E170 I175	E164-R173 PolarHBondContact O-NH2 3.4Å; W169-R173 WeakPolarHBondContact O-CG 3.43Å; W169-R173 PolarHBondContact O-N 3.48Å; W169-R173 VanDerWaalsContact O-N 3.16Å; E170-R173 WeakPolarHBondContact O-CB 3.46Å; E170-R173 PolarHBondContact O-N 3.3Å; E170-R173 VanDerWaalsContact O-N 3.1Å; R173-I175 VanDerWaalsContact C-N 3.31Å
174	D	79.8	Confident	84	Confident	144 Å²	144	110.5 Å²	110.5	77%	0.77	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-14.4	178.9	-66.1	-20.6	0	0	0	113	E170 M171 L172	E170-D174 PolarHBondContact O-N 3.3Å; M171-D174 PolarHBondContact O-N 3.28Å; L172-D174 VanDerWaalsContact C-N 3.27Å; L172-D174 PolarHBondContact O-N 3.5Å
175	I	84.3	Confident	83.6	Confident	134 Å²	134	110.1 Å²	110.1	69%	0.687	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-24.1	-178.3	-64.1	168.1	0	0	0	112.2	M171 L172 R173	M171-I175 WeakPolarHBondContact O-CD1 3.39Å; M171-I175 WeakPolarHBondContact O-CG1 3.35Å; L172-I175 PolarHBondContact O-N 3.17Å; R173-I175 VanDerWaalsContact C-N 3.31Å
176	L	61.9	Low	83.1	Confident	203 Å²	203	113.3 Å²	113.3	100%	1.063	58%	0.575	S	S	*	*			trans	-97.4	0	-179.4	-73.8	169.7	0	0	0	112	L172	L172-L176 PolarHBondContact O-N 2.97Å

Retrieved 176 of 176 residues in 127.2 ms (Link to these results)

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