G4M051_SCHMA Loading...

Small ribosomal subunit protein eS1

AlphaFold DB , UniProt , Accession G4M051, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 259 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.6	Very low	45.9	Very low	249 Å²	249	151.3 Å²	151.3	100%	1.227	87%	0.867	S	S	*	*				0	107.3	0	-81.9	-161.9	-84.7	0	0	109.2
2	A	45.2	Very low	45.9	Very low	103 Å²	103	144.4 Å²	144.4	85%	0.851	85%	0.854	S	S	*	*			trans	-177.3	100.5	156.4	0	0	0	0	0	106	G4	A2-G4 PolarHBondContact O-N 3.34Å
3	V	44	Very low	45.9	Very low	149 Å²	149	138.2 Å²	138.2	90%	0.903	84%	0.839	S	S	*	*			trans	-71.1	115.5	-175.2	177.8	0	0	0	0	108.6	G5	V3-G5 PolarHBondContact O-N 3.39Å
4	G	43.7	Very low	46	Very low	70 Å²	70	142.7 Å²	142.7	72%	0.722	84%	0.842	S	S	*	*			trans	-61.4	123.1	177.6	0	0	0	0	0	111.4	A2 Q6	A2-G4 PolarHBondContact O-N 3.34Å; G4-Q6 PolarHBondContact O-N 3.37Å
5	G	42.6	Very low	46.2	Very low	75 Å²	75	146.4 Å²	146.4	77%	0.773	84%	0.843	S	S	*	*			trans	-56.8	126.6	-174.9	0	0	0	0	0	113.4	V3 K7	V3-G5 PolarHBondContact O-N 3.39Å; G5-K7 PolarHBondContact O-N 2.97Å
6	Q	46.6	Very low	46.5	Very low	191 Å²	191	141.8 Å²	141.8	89%	0.893	84%	0.837	S	S	*	*			trans	-54.9	111.9	164.9	-79	170.7	-19.6	0	0	109.1	G4 K8	G4-Q6 PolarHBondContact O-N 3.37Å; Q6-K8 PolarHBondContact O-N 3.07Å
7	K	46.2	Very low	46.9	Very low	196 Å²	196	137.2 Å²	137.2	85%	0.852	83%	0.826	S	S	*	*			trans	-50.9	110.7	162	-82	177.2	175	174.8	0	107.3	G5 V9	G5-K7 PolarHBondContact O-N 2.97Å; K7-V9 PolarHBondContact O-N 2.89Å
8	K	45.5	Very low	47.5	Very low	203 Å²	203	140.8 Å²	140.8	88%	0.883	83%	0.83	S	S	*	*			trans	-50	107.1	167	-73.7	-179.5	176.6	178.8	0	106.9	Q6 A10	Q6-K8 PolarHBondContact O-N 3.07Å; K8-A10 VanDerWaalsContact C-N 3.28Å; K8-A10 PolarHBondContact O-N 2.78Å
9	V	51.2	Low	48.4	Very low	134 Å²	134	143.5 Å²	143.5	81%	0.812	83%	0.83	S	S	*	*			trans	-54.5	104.2	162.8	175.1	0	0	0	0	104.5	K7 K11	K7-V9 PolarHBondContact O-N 2.89Å; V9-K11 PolarHBondContact O-N 2.84Å
10	A	47.9	Very low	49.2	Very low	89 Å²	89	146.4 Å²	146.4	74%	0.736	83%	0.832	S	S	*	*			trans	-55.4	102.1	167.4	0	0	0	0	0	104.8	K8 G12	K8-A10 VanDerWaalsContact C-N 3.28Å; K8-A10 PolarHBondContact O-N 2.78Å; A10-G12 PolarHBondContact O-N 2.69Å
11	K	49.6	Very low	50.6	Low	205 Å²	205	146.4 Å²	146.4	89%	0.891	84%	0.835	S	S	*	*			trans	-54.2	90.5	155.4	-93.6	178.7	173.9	173.2	0	103.9	V9 G13	V9-K11 PolarHBondContact O-N 2.84Å; K11-G13 PolarHBondContact O-N 2.69Å
12	G	46	Very low	52.4	Low	69 Å²	69	137.3 Å²	137.3	71%	0.711	80%	0.796	S	S	*	*			trans	-60.5	78.3	161.2	0	0	0	0	0	105.4	A10 K14	A10-G12 PolarHBondContact O-N 2.69Å; G12-K14 PolarHBondContact O-N 2.76Å
13	G	45.5	Very low	54.6	Low	64 Å²	64	136.5 Å²	136.5	66%	0.66	78%	0.777	S	S	*	*			trans	-58.5	92	162.7	0	0	0	0	0	104.3	K11 K15	K11-G13 PolarHBondContact O-N 2.69Å; G13-K15 PolarHBondContact O-N 2.94Å
14	K	47.4	Very low	56.8	Low	201 Å²	201	133.5 Å²	133.5	87%	0.874	76%	0.761	S	S	*	*			trans	-58.2	88.2	167.7	-148.8	174.2	-169.6	174.2	0	103.7	G12 G16	G12-K14 PolarHBondContact O-N 2.76Å; K14-G16 PolarHBondContact O-N 2.69Å
15	K	48.5	Very low	59.2	Low	198 Å²	198	136.8 Å²	136.8	86%	0.861	76%	0.756	S	S	*	*			trans	-38.4	113.2	172.3	-95	177	173.4	174.8	0	105.1	G13 G17	G13-K15 PolarHBondContact O-N 2.94Å; K15-G17 PolarHBondContact O-N 2.95Å
16	G	51.7	Low	61.4	Low	72 Å²	72	137.4 Å²	137.4	74%	0.742	75%	0.745	S	S	*	*			trans	-36.1	111.3	-166.5	0	0	0	0	0	109.2	K14 K18	K14-G16 PolarHBondContact O-N 2.69Å; G16-K18 PolarHBondContact O-N 3.14Å
17	G	53.5	Low	63.6	Low	64 Å²	64	132.2 Å²	132.2	66%	0.66	72%	0.719	S	S	*	*			trans	-50.1	113.8	-175.5	0	0	0	0	0	106.6	K15 K19	K15-G17 PolarHBondContact O-N 2.95Å; G17-K19 VanDerWaalsContact C-N 3.3Å; G17-K19 PolarHBondContact O-N 2.86Å
18	K	56.8	Low	65.9	Low	203 Å²	203	125.7 Å²	125.7	88%	0.883	69%	0.691	S	S	*	*			trans	-46.5	106.7	170.3	-89.9	-179.1	173.5	179.1	0	104.2	G16 K20	G16-K18 PolarHBondContact O-N 3.14Å; K18-K20 PolarHBondContact O-N 3.29Å
19	K	64.9	Low	68.2	Low	191 Å²	191	118.7 Å²	118.7	83%	0.83	66%	0.661	S	S	*	*			trans	-45.7	117.8	175.3	-85.2	-179.9	174.7	175.5	0	104.4	G17 T21	G17-K19 VanDerWaalsContact C-N 3.3Å; G17-K19 PolarHBondContact O-N 2.86Å; K19-T21 PolarHBondContact O-N 3.07Å
20	K	65	Low	70.2	Confident	202 Å²	202	119 Å²	119	88%	0.878	65%	0.648	S	S	*	*			trans	-46.3	116.8	177.1	-84.5	-174	174.6	-177.7	0	105.8	K18 S22	K18-K20 PolarHBondContact O-N 3.29Å; K20-S22 VanDerWaalsContact C-N 3.26Å; K20-S22 PolarHBondContact O-N 2.76Å
21	T	77.3	Confident	72.5	Confident	146 Å²	146	116 Å²	116	90%	0.896	62%	0.618	S	S	*	*			trans	-61.4	95.1	-178.8	-56.7	0	0	0	0	106.6	K19	K19-T21 PolarHBondContact O-N 3.07Å
22	S	81.9	Confident	74.7	Confident	58 Å²	58	107.7 Å²	107.7	41%	0.406	58%	0.583	S	S	.	*			trans	-78	133.7	179	88.8	0	0	0	0	107.7	K20 P24 K27	K20-S22 VanDerWaalsContact C-N 3.26Å; K20-S22 PolarHBondContact O-N 2.76Å; S22-P24 WeakPolarHBondContact O-CD 3.35Å; S22-K27 WeakPolarHBondContact OG-CE 3.43Å
23	D	90.7	Very high	77	Confident	86 Å²	86	104.6 Å²	104.6	46%	0.46	55%	0.55	S	S	.	*			trans	-53.2	123.2	177.1	175.9	0.3	0	0	0	110.1	F25 T26	D23-F25 PolarHBondContact O-N 3.48Å; D23-F25 VanDerWaalsContact O-N 3.13Å; D23-F25 WeakPolarHBondContact OD1-CD2 3.42Å; D23-F25 PolarHBondContact OD1-N 3.3Å; D23-T26 HydrophobicContact CB-CG2 4.06Å; D23-T26 PolarHBondContact O-N 3.06Å; D23-T26 VanDerWaalsContact O-N 3.13Å; D23-T26 PolarHBondContact O-OG1 3.18Å
24	P	90.5	Very high	79.3	Confident	87 Å²	87	104.5 Å²	104.5	57%	0.565	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-53.4	-27.8	176.1	-26.4	34.7	0	0	0	114.7	S22 T26 K27	S22-P24 WeakPolarHBondContact O-CD 3.35Å; P24-T26 VanDerWaalsContact C-N 3.33Å; P24-K27 PolarHBondContact O-N 3.19Å
25	F	93.1	Very high	81.5	Confident	139 Å²	139	94.9 Å²	94.9	61%	0.61	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-70.8	-26.5	179.9	-73.4	-80.8	0	0	0	113.4	D23 K27 K28	D23-F25 PolarHBondContact O-N 3.48Å; D23-F25 VanDerWaalsContact O-N 3.13Å; D23-F25 WeakPolarHBondContact OD1-CD2 3.42Å; D23-F25 PolarHBondContact OD1-N 3.3Å; F25-K27 PolarHBondContact O-N 2.76Å; F25-K27 VanDerWaalsContact O-N 3.16Å; F25-K28 HydrophobicContact CD1-CD 3.71Å; F25-K28 HydrophobicContact CE1-CD 4.17Å; F25-K28 HydrophobicContact CG-CD 4.43Å; F25-K28 WeakPolarHBondContact O-CB 3.19Å; F25-K28 PolarHBondContact O-N 2.92Å
26	T	90.6	Very high	83.7	Confident	88 Å²	88	85.5 Å²	85.5	54%	0.54	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-62.6	-23	175.1	61.8	0	0	0	0	113	D23 P24 K28	D23-T26 HydrophobicContact CB-CG2 4.06Å; D23-T26 PolarHBondContact O-N 3.06Å; D23-T26 VanDerWaalsContact O-N 3.13Å; D23-T26 PolarHBondContact O-OG1 3.18Å; P24-T26 VanDerWaalsContact C-N 3.33Å; T26-K28 VanDerWaalsContact C-N 3.34Å
27	K	91.7	Very high	85.6	Confident	82 Å²	82	83.6 Å²	83.6	36%	0.357	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-89.6	1.3	178.1	-59.5	179.7	-177.3	175.7	0	113	S22 P24 F25 T50 R51	S22-K27 WeakPolarHBondContact OG-CE 3.43Å; P24-K27 PolarHBondContact O-N 3.19Å; F25-K27 PolarHBondContact O-N 2.76Å; F25-K27 VanDerWaalsContact O-N 3.16Å; K27-T50 HydrophobicContact CB-CG2 4.28Å; K27-R51 WeakPolarHBondContact O-CB 3.42Å; K27-R51 WeakPolarHBondContact O-CG 3.33Å; K27-R51 PolarHBondContact O-N 3.01Å
28	K	94.7	Very high	87.3	Confident	58 Å²	58	81.5 Å²	81.5	25%	0.252	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	149.5	-176.2	-61.5	-179.9	-179.7	-73.1	0	111.1	F25 T26 L48 V49	F25-K28 HydrophobicContact CD1-CD 3.71Å; F25-K28 HydrophobicContact CE1-CD 4.17Å; F25-K28 HydrophobicContact CG-CD 4.43Å; F25-K28 WeakPolarHBondContact O-CB 3.19Å; F25-K28 PolarHBondContact O-N 2.92Å; T26-K28 VanDerWaalsContact C-N 3.34Å; K28-L48 HydrophobicContact CD-CD1 3.49Å; K28-L48 VanDerWaalsContact CD-CD1 3.49Å; K28-V49 CarbonylContact C-O 3.51Å; K28-V49 VanDerWaalsContact CA-O 3.23Å; K28-V49 WeakPolarHBondContact CA-O 3.38Å
29	E	93.4	Very high	88.9	Confident	56 Å²	56	72.1 Å²	72.1	26%	0.262	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.8	173.1	-76.6	178.6	176.5	0	0	110.1	Y31 L48 V49 R51	E29-Y31 HydrophobicContact CB-CE2 4.16Å; E29-L48 VanDerWaalsContact O-CA 3.31Å; E29-L48 WeakPolarHBondContact O-CA 3.34Å; E29-V49 PolarHBondContact N-O 2.82Å; E29-V49 PolarHBondContact O-N 2.82Å; E29-R51 HydrophobicContact CB-CG 4.4Å; E29-R51 HydrophobicContact CG-CG 3.53Å; E29-R51 VanDerWaalsContact CG-NE 3.32Å; E29-R51 VanDerWaalsContact OE1-CD 3.26Å; E29-R51 WeakPolarHBondContact OE1-CD 3.42Å; E29-R51 WeakPolarHBondContact OE1-CG 3.49Å; E29-R51 IonicContact OE1-CZ 3.73Å; E29-R51 IonicContact OE1-NE 2.71Å; E29-R51 PolarHBondContact OE1-NE 2.9Å; E29-R51 IonicContact OE1-NH1 3.11Å; E29-R51 IonicContact OE1-NH2 3.35Å
30	W	94.4	Very high	90	Very high	142 Å²	142	67.1 Å²	67.1	54%	0.538	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.9	-179.4	-68.3	93.4	0	0	0	110.7	R46 L48	W30-R46 HydrophobicContact CE3-CB 3.84Å; W30-R46 HydrophobicContact CZ3-CB 4.21Å; W30-L48 HydrophobicContact CD2-CB 4.24Å; W30-L48 HydrophobicContact CE3-CB 4.13Å; W30-L48 HydrophobicContact CE3-CD2 4.43Å; W30-L48 HydrophobicContact CH2-CB 4.46Å; W30-L48 HydrophobicContact CH2-CD2 3.47Å; W30-L48 VanDerWaalsContact CH2-CD2 3.47Å; W30-L48 HydrophobicContact CZ2-CD2 4.01Å; W30-L48 HydrophobicContact CZ3-CB 4.25Å; W30-L48 HydrophobicContact CZ3-CD2 3.71Å
31	Y	95.2	Very high	91.2	Very high	26 Å²	26	62.9 Å²	62.9	10%	0.102	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.4	175.9	-75.2	-108.2	0	0	0	109.1	E29 R46 T47 V49 L62 V92 G94 R95	E29-Y31 HydrophobicContact CB-CE2 4.16Å; Y31-R46 CarbonylContact O-C 3.46Å; Y31-R46 VanDerWaalsContact O-CA 3.24Å; Y31-R46 WeakPolarHBondContact O-CA 3.41Å; Y31-T47 PolarHBondContact N-O 2.81Å; Y31-T47 PolarHBondContact O-N 3.28Å; Y31-V49 HydrophobicContact CD2-CG1 3.74Å; Y31-V49 HydrophobicContact CE2-CG1 3.46Å; Y31-V49 VanDerWaalsContact CE2-CG1 3.46Å; Y31-L62 HydrophobicContact CD1-CD1 3.59Å; Y31-L62 HydrophobicContact CD2-CD1 3.76Å; Y31-L62 HydrophobicContact CE1-CD1 3.77Å; Y31-L62 HydrophobicContact CE2-CD1 3.96Å; Y31-L62 HydrophobicContact CG-CD1 3.59Å; Y31-V92 HydrophobicContact CD1-CG1 3.76Å; Y31-V92 HydrophobicContact CE1-CG1 3.57Å; Y31-G94 WeakPolarHBondContact CE1-O 3.16Å; Y31-R95 CarbonylContact C-O 3.49Å; Y31-R95 VanDerWaalsContact CA-O 3.32Å; Y31-R95 WeakPolarHBondContact CA-O 3.41Å
32	D	94.9	Very high	91.8	Very high	30 Å²	30	59.3 Å²	59.3	16%	0.16	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129	177.6	-60.9	-35	0	0	0	109.7	R46 R95 H96 C97	D32-R46 IonicContact OD1-CZ 2.76Å; D32-R46 IonicContact OD1-NE 3.41Å; D32-R46 PolarHBondContact OD1-NE 3.17Å; D32-R46 IonicContact OD1-NH2 3.48Å; D32-R46 PolarHBondContact OD1-NH2 3.2Å; D32-R46 VanDerWaalsContact OD1-NH2 3.11Å; D32-R46 IonicContact OD2-NH2 2.84Å; D32-R95 PolarHBondContact N-O 3.35Å; D32-H96 CarbonylContact O-C 3.59Å; D32-H96 WeakPolarHBondContact O-CA 3.42Å; D32-C97 PolarHBondContact O-N 2.85Å
33	I	94.9	Very high	92.2	Very high	4 Å²	4	61 Å²	61	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.9	177.1	-65.7	157.4	0	0	0	108.6	C44 A45 T47 V67 C97 T99	I33-C44 PolarHBondContact O-N 3.47Å; I33-A45 HydrophobicContact CB-CB 4.39Å; I33-A45 WeakPolarHBondContact CB-O 3.47Å; I33-A45 HydrophobicContact CD1-CB 3.9Å; I33-A45 PolarHBondContact N-O 3.03Å; I33-T47 HydrophobicContact CD1-CG2 3.99Å; I33-T47 HydrophobicContact CG1-CG2 4Å; I33-V67 HydrophobicContact CD1-CG2 3.74Å; I33-C97 HydrophobicContact CG1-CB 4.3Å; I33-T99 HydrophobicContact CG2-CG2 3.54Å
34	K	94.3	Very high	91.9	Very high	61 Å²	61	58.7 Å²	58.7	27%	0.265	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.1	175.5	-71.6	-171.4	177.7	174	0	111	R42 H96 C97 L98 T99 H233	K34-R42 CarbonylContact C-O 3.49Å; K34-R42 WeakPolarHBondContact CA-O 3.26Å; K34-H96 HydrophobicContact CD-CB 4.06Å; K34-H96 VanDerWaalsContact CE-CG 3.42Å; K34-H96 WeakPolarHBondContact CE-ND1 3.37Å; K34-H96 HydrophobicContact CG-CB 4.44Å; K34-H96 PolarHBondContact NZ-CD2 3.33Å; K34-H96 PolarHBondContact NZ-NE2 3.3Å; K34-C97 PolarHBondContact N-O 2.84Å; K34-L98 HydrophobicContact CB-CD2 4.37Å; K34-L98 HydrophobicContact CD-CD2 4.49Å; K34-T99 PolarHBondContact O-N 2.51Å; K34-T99 VanDerWaalsContact O-N 3.15Å; K34-T99 PolarHBondContact O-OG1 3.12Å; K34-H233 PolarHBondContact O-CE1 3.34Å
35	A	94	Very high	92	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-77.2	151.7	168.9	0	0	0	0	0	111.6	F39 R42 C44 L74 L87 H233	A35-F39 HydrophobicContact CB-CB 4.48Å; A35-F39 HydrophobicContact CB-CD2 4.04Å; A35-R42 PolarHBondContact N-O 3.43Å; A35-C44 WeakPolarHBondContact CB-SG 3.23Å; A35-L74 HydrophobicContact CB-CD2 3.92Å; A35-L87 HydrophobicContact CB-CD1 3.87Å; A35-H233 VanDerWaalsContact C-CE1 3.48Å; A35-H233 PolarHBondContact O-CE1 2.93Å
36	P	93.7	Very high	92	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-55.9	159.9	174.6	-22.9	30.7	0	0	0	113.4	M38 F39 T99	P36-M38 HydrophobicContact CB-CE 4.33Å; P36-M38 HydrophobicContact CB-CG 4.35Å; P36-M38 HydrophobicContact CB-SD 4.41Å; P36-M38 PolarHBondContact O-N 3.42Å; P36-F39 PolarHBondContact O-N 3.36Å; P36-F39 VanDerWaalsContact O-N 3.12Å; P36-T99 WeakPolarHBondContact CG-O 3.21Å
37	A	91.5	Very high	92.2	Very high	33 Å²	33	54 Å²	54	27%	0.273	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-12.5	177.9	0	0	0	0	0	115.1	F39 L232	A37-F39 PolarHBondContact O-N 3.33Å; A37-L232 WeakPolarHBondContact CB-O 3.42Å; A37-L232 PolarHBondContact N-O 3.39Å
38	M	89.6	Confident	92.3	Very high	20 Å²	20	52.8 Å²	52.8	10%	0.099	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.2	175.6	-54	167.6	-158.5	0	0	112.3	P36 K183 V186 L232	P36-M38 HydrophobicContact CB-CE 4.33Å; P36-M38 HydrophobicContact CB-CG 4.35Å; P36-M38 HydrophobicContact CB-SD 4.41Å; P36-M38 PolarHBondContact O-N 3.42Å; M38-K183 VanDerWaalsContact CE-CA 3.44Å; M38-K183 HydrophobicContact CE-CB 3.74Å; M38-K183 HydrophobicContact CE-CG 3.94Å; M38-K183 HydrophobicContact CG-CG 4.13Å; M38-V186 HydrophobicContact CB-CG1 4.26Å; M38-V186 HydrophobicContact CG-CG1 4.5Å; M38-V186 HydrophobicContact SD-CB 3.45Å; M38-V186 WeakPolarHBondContact SD-CB 3.44Å; M38-V186 HydrophobicContact SD-CG1 3.49Å; M38-V186 WeakPolarHBondContact SD-CG1 3.36Å; M38-V186 HydrophobicContact SD-CG2 3.94Å; M38-L232 HydrophobicContact CE-CD1 4.36Å; M38-L232 HydrophobicContact CE-CD2 3.38Å; M38-L232 HydrophobicContact CE-CG 4.37Å
39	F	90.4	Very high	92.4	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.026	25%	0.246	C	C	.	.	S	Bend	trans	-104.1	144	-179.8	-57.9	-72.3	0	0	0	110.7	A35 P36 A37 L71 L74 F85 L87 V186 I190	A35-F39 HydrophobicContact CB-CB 4.48Å; A35-F39 HydrophobicContact CB-CD2 4.04Å; P36-F39 PolarHBondContact O-N 3.36Å; P36-F39 VanDerWaalsContact O-N 3.12Å; A37-F39 PolarHBondContact O-N 3.33Å; F39-L71 HydrophobicContact CD1-CD1 4.43Å; F39-L71 HydrophobicContact CE1-CD1 4.32Å; F39-L74 HydrophobicContact CB-CB 4.17Å; F39-L74 HydrophobicContact CB-CD2 4.49Å; F39-L74 HydrophobicContact CD1-CB 3.7Å; F39-L74 HydrophobicContact CD1-CD1 3.98Å; F39-L74 HydrophobicContact CD1-CG 4.33Å; F39-L74 HydrophobicContact CE1-CB 4.35Å; F39-L74 HydrophobicContact CE1-CD1 3.85Å; F39-L74 HydrophobicContact CE2-CD1 4.46Å; F39-L74 HydrophobicContact CG-CB 4.04Å; F39-L74 HydrophobicContact CG-CD1 4.34Å; F39-L74 HydrophobicContact CG-CD2 4.32Å; F39-L74 HydrophobicContact CG-CG 4.48Å; F39-L74 HydrophobicContact CZ-CD1 4.11Å; F39-F85 HydrophobicContact CE1-CD1 4.17Å; F39-F85 HydrophobicContact CE1-CD2 4.29Å; F39-F85 HydrophobicContact CE1-CE1 4.15Å; F39-F85 HydrophobicContact CE1-CE2 4.29Å; F39-F85 HydrophobicContact CE1-CG 4.23Å; F39-F85 HydrophobicContact CE1-CZ 4.2Å; F39-F85 AromaticContact CZ-CD1 3.69Å; F39-F85 HydrophobicContact CZ-CD1 3.69Å; F39-F85 AromaticContact CZ-CE1 3.93Å; F39-F85 HydrophobicContact CZ-CE1 3.93Å; F39-F85 HydrophobicContact CZ-CG 4.01Å; F39-F85 HydrophobicContact CZ-CZ 4.44Å; F39-L87 HydrophobicContact CE2-CD2 4.11Å; F39-V186 HydrophobicContact CZ-CG1 3.98Å; F39-I190 HydrophobicContact CD1-CD1 4.08Å; F39-I190 HydrophobicContact CE1-CD1 3.95Å; F39-I190 HydrophobicContact CE1-CG1 4.13Å
40	S	88.7	Confident	92.4	Very high	86 Å²	86	50.7 Å²	50.7	60%	0.601	25%	0.253	S	S	*	.	S	Bend	trans	-67.5	-42.8	-179.3	-169.4	0	0	0	0	111.7	L74	S40-L74 PolarHBondContact N-O 3.04Å
41	R	89.9	Confident	92.3	Very high	112 Å²	112	49.7 Å²	49.7	42%	0.423	25%	0.249	S	C	.	.			trans	-92.7	106.6	176.2	-74	-175.7	172.9	168.8	7.7	109.9	C44 D73 L74 E76	R41-C44 PolarHBondContact O-SG 3.16Å; R41-C44 VanDerWaalsContact O-SG 3.36Å; R41-D73 VanDerWaalsContact CD-O 3.31Å; R41-D73 WeakPolarHBondContact CD-O 3.45Å; R41-L74 PolarHBondContact N-O 3.48Å; R41-E76 HydrophobicContact CG-CG 3.99Å; R41-E76 IonicContact CZ-OE1 3.28Å; R41-E76 VanDerWaalsContact CZ-OE1 3.28Å; R41-E76 VanDerWaalsContact NE-CG 3.33Å; R41-E76 IonicContact NE-OE1 3.53Å; R41-E76 PolarHBondContact NE-OE1 3.2Å; R41-E76 IonicContact NH2-OE1 2.84Å; R41-E76 PolarHBondContact NH2-OE1 2.76Å
42	R	89.7	Confident	92.2	Very high	71 Å²	71	52.2 Å²	52.2	27%	0.268	27%	0.268	S	S	.	.			trans	-80	-37.8	179.5	-66.9	-167	-179.4	-164.7	2.2	113.4	K34 A35 C44 H233	K34-R42 CarbonylContact C-O 3.49Å; K34-R42 WeakPolarHBondContact CA-O 3.26Å; A35-R42 PolarHBondContact N-O 3.43Å; R42-C44 PolarHBondContact O-SG 3.02Å; R42-C44 VanDerWaalsContact O-SG 3.35Å; R42-H233 PolarHBondContact NH1-O 3.29Å
43	T	89.4	Confident	92	Very high	95 Å²	95	56 Å²	56	58%	0.583	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	108.7	179.2	-51	0	0	0	0	108.9
44	C	85.5	Confident	91.8	Very high	36 Å²	36	59.6 Å²	59.6	24%	0.243	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-37.7	-167.5	-43.6	0	0	0	0	113.6	I33 A35 R41 R42 L69 L74	I33-C44 PolarHBondContact O-N 3.47Å; A35-C44 WeakPolarHBondContact CB-SG 3.23Å; R41-C44 PolarHBondContact O-SG 3.16Å; R41-C44 VanDerWaalsContact O-SG 3.36Å; R42-C44 PolarHBondContact O-SG 3.02Å; R42-C44 VanDerWaalsContact O-SG 3.35Å; C44-L69 HydrophobicContact CB-CD1 3.45Å; C44-L69 VanDerWaalsContact CB-CD1 3.45Å; C44-L74 HydrophobicContact CB-CD2 4.28Å; C44-L74 WeakPolarHBondContact SG-CD2 3.46Å
45	A	91.3	Very high	91.7	Very high	27 Å²	27	63.2 Å²	63.2	22%	0.223	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	166.2	-173.1	0	0	0	0	0	110.8	I33	I33-A45 HydrophobicContact CB-CB 4.39Å; I33-A45 WeakPolarHBondContact CB-O 3.47Å; I33-A45 HydrophobicContact CD1-CB 3.9Å; I33-A45 PolarHBondContact N-O 3.03Å
46	R	93.6	Very high	91.6	Very high	166 Å²	166	73.1 Å²	73.1	63%	0.626	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.8	169.4	-47	-174.7	97.6	169.4	13.3	109.1	W30 Y31 D32	W30-R46 HydrophobicContact CE3-CB 3.84Å; W30-R46 HydrophobicContact CZ3-CB 4.21Å; Y31-R46 CarbonylContact O-C 3.46Å; Y31-R46 VanDerWaalsContact O-CA 3.24Å; Y31-R46 WeakPolarHBondContact O-CA 3.41Å; D32-R46 IonicContact OD1-CZ 2.76Å; D32-R46 IonicContact OD1-NE 3.41Å; D32-R46 PolarHBondContact OD1-NE 3.17Å; D32-R46 IonicContact OD1-NH2 3.48Å; D32-R46 PolarHBondContact OD1-NH2 3.2Å; D32-R46 VanDerWaalsContact OD1-NH2 3.11Å; D32-R46 IonicContact OD2-NH2 2.84Å
47	T	95.2	Very high	91.5	Very high	24 Å²	24	76.5 Å²	76.5	15%	0.147	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.3	174.2	-166.9	0	0	0	0	110	Y31 I33 L62 R65	Y31-T47 PolarHBondContact N-O 2.81Å; Y31-T47 PolarHBondContact O-N 3.28Å; I33-T47 HydrophobicContact CD1-CG2 3.99Å; I33-T47 HydrophobicContact CG1-CG2 4Å; T47-L62 HydrophobicContact CG2-CD2 3.49Å; T47-L62 VanDerWaalsContact CG2-CD2 3.49Å; T47-R65 PolarHBondContact OG1-NH1 3.17Å
48	L	94.8	Very high	91.6	Very high	55 Å²	55	75 Å²	75	29%	0.288	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.4	178.2	55.3	116.6	0	0	0	110.6	K28 E29 W30 R65	K28-L48 HydrophobicContact CD-CD1 3.49Å; K28-L48 VanDerWaalsContact CD-CD1 3.49Å; E29-L48 VanDerWaalsContact O-CA 3.31Å; E29-L48 WeakPolarHBondContact O-CA 3.34Å; W30-L48 HydrophobicContact CD2-CB 4.24Å; W30-L48 HydrophobicContact CE3-CB 4.13Å; W30-L48 HydrophobicContact CE3-CD2 4.43Å; W30-L48 HydrophobicContact CH2-CB 4.46Å; W30-L48 HydrophobicContact CH2-CD2 3.47Å; W30-L48 VanDerWaalsContact CH2-CD2 3.47Å; W30-L48 HydrophobicContact CZ2-CD2 4.01Å; W30-L48 HydrophobicContact CZ3-CB 4.25Å; W30-L48 HydrophobicContact CZ3-CD2 3.71Å; L48-R65 PolarHBondContact O-NH1 3.37Å
49	V	95.1	Very high	91.7	Very high	4 Å²	4	76 Å²	76	2%	0.024	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	153	172.1	69.7	0	0	0	0	109.5	K28 E29 Y31 A58 A61 L62	K28-V49 CarbonylContact C-O 3.51Å; K28-V49 VanDerWaalsContact CA-O 3.23Å; K28-V49 WeakPolarHBondContact CA-O 3.38Å; E29-V49 PolarHBondContact N-O 2.82Å; E29-V49 PolarHBondContact O-N 2.82Å; Y31-V49 HydrophobicContact CD2-CG1 3.74Å; Y31-V49 HydrophobicContact CE2-CG1 3.46Å; Y31-V49 VanDerWaalsContact CE2-CG1 3.46Å; V49-A58 HydrophobicContact CG1-CB 3.92Å; V49-A58 HydrophobicContact CG2-CB 4.4Å; V49-A61 HydrophobicContact CG2-CB 3.9Å; V49-L62 HydrophobicContact CB-CD1 4.32Å; V49-L62 HydrophobicContact CB-CD2 3.83Å; V49-L62 HydrophobicContact CB-CG 3.89Å; V49-L62 HydrophobicContact CG1-CD1 3.78Å; V49-L62 HydrophobicContact CG1-CD2 4.16Å; V49-L62 HydrophobicContact CG1-CG 3.91Å; V49-L62 HydrophobicContact CG2-CD2 4.4Å; V49-L62 HydrophobicContact CG2-CG 4.11Å
50	T	94.1	Very high	91.8	Very high	66 Å²	66	81.7 Å²	81.7	41%	0.405	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	137	171.8	-50.7	0	0	0	0	108.9	K27	K27-T50 HydrophobicContact CB-CG2 4.28Å
51	R	92.5	Very high	92	Very high	121 Å²	121	80.2 Å²	80.2	46%	0.457	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-51.3	146	172.7	-72.3	-179.4	-171.1	-161.9	-6.9	110.5	K27 E29 Q53	K27-R51 WeakPolarHBondContact O-CB 3.42Å; K27-R51 WeakPolarHBondContact O-CG 3.33Å; K27-R51 PolarHBondContact O-N 3.01Å; E29-R51 HydrophobicContact CB-CG 4.4Å; E29-R51 HydrophobicContact CG-CG 3.53Å; E29-R51 VanDerWaalsContact CG-NE 3.32Å; E29-R51 VanDerWaalsContact OE1-CD 3.26Å; E29-R51 WeakPolarHBondContact OE1-CD 3.42Å; E29-R51 WeakPolarHBondContact OE1-CG 3.49Å; E29-R51 IonicContact OE1-CZ 3.73Å; E29-R51 IonicContact OE1-NE 2.71Å; E29-R51 PolarHBondContact OE1-NE 2.9Å; E29-R51 IonicContact OE1-NH1 3.11Å; E29-R51 IonicContact OE1-NH2 3.35Å; R51-Q53 PolarHBondContact O-N 2.86Å
52	T	93.2	Very high	92.2	Very high	80 Å²	80	74.9 Å²	74.9	49%	0.491	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-54.7	123.6	175	-61.5	0	0	0	0	109.7	R56 A58	T52-R56 WeakPolarHBondContact CA-O 3.46Å; T52-A58 WeakPolarHBondContact OG1-CB 3.37Å; T52-A58 PolarHBondContact OG1-N 3.13Å
53	Q	90	Very high	92.4	Very high	109 Å²	109	75.6 Å²	75.6	51%	0.509	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-139.5	119.3	178	-72	-167.4	-12	0	0	109.7	R51 T55 R56	R51-Q53 PolarHBondContact O-N 2.86Å; Q53-T55 PolarHBondContact O-N 3.13Å; Q53-R56 PolarHBondContact N-O 2.63Å; Q53-R56 PolarHBondContact O-N 3.16Å
54	G	91.5	Very high	92.6	Very high	79 Å²	79	73 Å²	73	81%	0.814	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-123.2	-177.4	0	0	0	0	0	111.3
55	T	92.6	Very high	93.1	Very high	137 Å²	137	75.4 Å²	75.4	84%	0.84	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-8.7	-178.7	54.1	0	0	0	0	114.2	Q53 I57	Q53-T55 PolarHBondContact O-N 3.13Å; T55-I57 PolarHBondContact O-N 3.34Å
56	R	90.6	Very high	93.3	Very high	209 Å²	209	77.2 Å²	77.2	79%	0.789	41%	0.41	S	S	*	.	B	Isolated β-bridge	trans	-91.3	106.3	179.8	-70.1	-174.8	179.1	178.7	-0.1	110.2	T52 Q53	T52-R56 WeakPolarHBondContact CA-O 3.46Å; Q53-R56 PolarHBondContact N-O 2.63Å; Q53-R56 PolarHBondContact O-N 3.16Å
57	I	93.5	Very high	93.3	Very high	70 Å²	70	70.7 Å²	70.7	36%	0.359	39%	0.389	S	S	.	.			trans	-86.8	129.8	179	-53.5	175.3	0	0	0	109.9	T55 S59 E60 A61	T55-I57 PolarHBondContact O-N 3.34Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 WeakPolarHBondContact CG2-OG 3.42Å; I57-S59 PolarHBondContact O-N 3.08Å; I57-E60 HydrophobicContact CB-CB 4.42Å; I57-E60 HydrophobicContact CB-CG 4.14Å; I57-E60 HydrophobicContact CG2-CG 4.48Å; I57-E60 PolarHBondContact O-N 3.4Å; I57-A61 PolarHBondContact O-N 2.88Å
58	A	91.9	Very high	93.4	Very high	3 Å²	3	73.6 Å²	73.6	3%	0.025	41%	0.406	C	S	.	.	H	α-helix	trans	-61.9	-39.1	-179.2	0	0	0	0	0	113	V49 T52 A61 L62	V49-A58 HydrophobicContact CG1-CB 3.92Å; V49-A58 HydrophobicContact CG2-CB 4.4Å; T52-A58 WeakPolarHBondContact OG1-CB 3.37Å; T52-A58 PolarHBondContact OG1-N 3.13Å; A58-A61 PolarHBondContact O-N 3.27Å; A58-L62 WeakPolarHBondContact O-CG 3.39Å; A58-L62 PolarHBondContact O-N 3.44Å; A58-L62 VanDerWaalsContact O-N 3.16Å
59	S	92.5	Very high	93.3	Very high	41 Å²	41	71.9 Å²	71.9	29%	0.287	40%	0.397	S	S	.	.	H	α-helix	trans	-64.2	-41.5	179.8	55.3	0	0	0	0	112.2	I57 A61 L62 K63	I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 WeakPolarHBondContact CG2-OG 3.42Å; I57-S59 PolarHBondContact O-N 3.08Å; S59-A61 VanDerWaalsContact C-N 3.34Å; S59-A61 PolarHBondContact O-N 2.98Å; S59-L62 WeakPolarHBondContact O-CB 3.41Å; S59-L62 PolarHBondContact O-N 2.73Å; S59-K63 WeakPolarHBondContact O-CG 3.15Å; S59-K63 PolarHBondContact O-N 2.85Å
60	E	92.7	Very high	93.2	Very high	124 Å²	124	72.9 Å²	72.9	58%	0.579	41%	0.405	S	S	*	.	H	α-helix	trans	-64.3	-39.1	176.1	-66.7	-176.8	165.7	0	0	112.1	I57 L62 K63	I57-E60 HydrophobicContact CB-CB 4.42Å; I57-E60 HydrophobicContact CB-CG 4.14Å; I57-E60 HydrophobicContact CG2-CG 4.48Å; I57-E60 PolarHBondContact O-N 3.4Å; E60-L62 PolarHBondContact O-N 3.26Å; E60-K63 PolarHBondContact O-N 3.42Å
61	A	93.1	Very high	93.2	Very high	55 Å²	55	69.7 Å²	69.7	46%	0.455	39%	0.385	S	S	.	.	H	α-helix	trans	-70.6	-17.4	177.2	0	0	0	0	0	113.9	V49 I57 A58 S59 R65	V49-A61 HydrophobicContact CG2-CB 3.9Å; I57-A61 PolarHBondContact O-N 2.88Å; A58-A61 PolarHBondContact O-N 3.27Å; S59-A61 VanDerWaalsContact C-N 3.34Å; S59-A61 PolarHBondContact O-N 2.98Å; A61-R65 PolarHBondContact O-NE 2.83Å
62	L	93.8	Very high	93.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-86.6	-38.6	173.2	-76.4	169.9	0	0	0	111.9	Y31 T47 V49 A58 S59 E60 R65 V89 V92	Y31-L62 HydrophobicContact CD1-CD1 3.59Å; Y31-L62 HydrophobicContact CD2-CD1 3.76Å; Y31-L62 HydrophobicContact CE1-CD1 3.77Å; Y31-L62 HydrophobicContact CE2-CD1 3.96Å; Y31-L62 HydrophobicContact CG-CD1 3.59Å; T47-L62 HydrophobicContact CG2-CD2 3.49Å; T47-L62 VanDerWaalsContact CG2-CD2 3.49Å; V49-L62 HydrophobicContact CB-CD1 4.32Å; V49-L62 HydrophobicContact CB-CD2 3.83Å; V49-L62 HydrophobicContact CB-CG 3.89Å; V49-L62 HydrophobicContact CG1-CD1 3.78Å; V49-L62 HydrophobicContact CG1-CD2 4.16Å; V49-L62 HydrophobicContact CG1-CG 3.91Å; V49-L62 HydrophobicContact CG2-CD2 4.4Å; V49-L62 HydrophobicContact CG2-CG 4.11Å; A58-L62 WeakPolarHBondContact O-CG 3.39Å; A58-L62 PolarHBondContact O-N 3.44Å; A58-L62 VanDerWaalsContact O-N 3.16Å; S59-L62 WeakPolarHBondContact O-CB 3.41Å; S59-L62 PolarHBondContact O-N 2.73Å; E60-L62 PolarHBondContact O-N 3.26Å; L62-R65 WeakPolarHBondContact O-CB 3.14Å; L62-R65 WeakPolarHBondContact O-CG 3.48Å; L62-R65 PolarHBondContact O-N 3Å; L62-V89 WeakPolarHBondContact O-CB 3.36Å; L62-V92 HydrophobicContact CB-CG2 3.87Å; L62-V92 HydrophobicContact CD1-CG1 4.24Å; L62-V92 HydrophobicContact CD1-CG2 4.16Å
63	K	93.8	Very high	93	Very high	86 Å²	86	65.5 Å²	65.5	37%	0.374	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	139.8	175.5	-69.5	-177.7	-172.7	-150.2	0	110.2	S59 E60 R65 E90 D91 V92	S59-K63 WeakPolarHBondContact O-CG 3.15Å; S59-K63 PolarHBondContact O-N 2.85Å; E60-K63 PolarHBondContact O-N 3.42Å; K63-R65 VanDerWaalsContact C-N 3.3Å; K63-R65 PolarHBondContact O-N 2.95Å; K63-E90 WeakPolarHBondContact CD-O 3.33Å; K63-E90 WeakPolarHBondContact CG-O 3.44Å; K63-D91 WeakPolarHBondContact CE-OD1 3.12Å; K63-D91 IonicContact NZ-OD1 2.67Å; K63-D91 PolarHBondContact NZ-OD1 2.81Å; K63-V92 HydrophobicContact CG-CG2 4.43Å
64	G	92.9	Very high	93	Very high	41 Å²	41	60.3 Å²	60.3	42%	0.423	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-10.4	-178.4	0	0	0	0	0	115.5	V66 V89	G64-V66 PolarHBondContact O-N 2.96Å; G64-V89 PolarHBondContact N-O 2.85Å
65	R	95.5	Very high	92.8	Very high	86 Å²	86	57.5 Å²	57.5	33%	0.325	32%	0.318	S	S	.	.			trans	-64.7	133.4	171	-68.1	-176.5	-175.4	-164	-2	110	T47 L48 A61 L62 K63 Q88 V89	T47-R65 PolarHBondContact OG1-NH1 3.17Å; L48-R65 PolarHBondContact O-NH1 3.37Å; A61-R65 PolarHBondContact O-NE 2.83Å; L62-R65 WeakPolarHBondContact O-CB 3.14Å; L62-R65 WeakPolarHBondContact O-CG 3.48Å; L62-R65 PolarHBondContact O-N 3Å; K63-R65 VanDerWaalsContact C-N 3.3Å; K63-R65 PolarHBondContact O-N 2.95Å; R65-Q88 WeakPolarHBondContact O-CA 3.36Å; R65-V89 HydrophobicContact CB-CG2 4.43Å; R65-V89 PolarHBondContact O-N 3Å
66	V	95.8	Very high	92.2	Very high	65 Å²	65	57 Å²	57	39%	0.394	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.3	176.7	-176.8	0	0	0	0	108.7	G64 K86 L87 Q88	G64-V66 PolarHBondContact O-N 2.96Å; V66-K86 HydrophobicContact CG1-CB 3.83Å; V66-L87 CarbonylContact C-O 3.56Å; V66-L87 WeakPolarHBondContact CA-O 3.31Å; V66-Q88 HydrophobicContact CG2-CB 4.13Å; V66-Q88 HydrophobicContact CG2-CG 4.12Å
67	V	95.1	Very high	91.5	Very high	29 Å²	29	56.2 Å²	56.2	18%	0.176	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.1	178.1	-169.8	0	0	0	0	108	I33 L69 K86 L87	I33-V67 HydrophobicContact CD1-CG2 3.74Å; V67-L69 HydrophobicContact CG1-CD1 4.37Å; V67-L69 HydrophobicContact CG1-CD2 3.91Å; V67-L69 HydrophobicContact CG1-CG 3.9Å; V67-K86 CarbonylContact O-C 3.55Å; V67-K86 WeakPolarHBondContact O-CA 3.18Å; V67-L87 PolarHBondContact N-O 3.3Å; V67-L87 PolarHBondContact O-N 2.89Å
68	T	95.8	Very high	90.4	Very high	85 Å²	85	55.3 Å²	55.3	52%	0.521	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.2	175.3	59.1	0	0	0	0	109.4	F85 K86	T68-F85 CarbonylContact C-O 3.59Å; T68-F85 WeakPolarHBondContact CA-O 3.49Å; T68-K86 HydrophobicContact CG2-CD 4.11Å; T68-K86 HydrophobicContact CG2-CG 3.91Å
69	L	93.8	Very high	89.6	Confident	19 Å²	19	63.3 Å²	63.3	10%	0.099	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.6	-177.9	-63.2	174.2	0	0	0	110.4	C44 V67 L74 K84 F85 L87	C44-L69 HydrophobicContact CB-CD1 3.45Å; C44-L69 VanDerWaalsContact CB-CD1 3.45Å; V67-L69 HydrophobicContact CG1-CD1 4.37Å; V67-L69 HydrophobicContact CG1-CD2 3.91Å; V67-L69 HydrophobicContact CG1-CG 3.9Å; L69-L74 HydrophobicContact CB-CD1 4.17Å; L69-L74 HydrophobicContact CB-CG 4.25Å; L69-L74 HydrophobicContact CD1-CD2 3.9Å; L69-K84 CarbonylContact O-C 3.59Å; L69-K84 VanDerWaalsContact O-CA 3.27Å; L69-K84 WeakPolarHBondContact O-CA 3.39Å; L69-F85 PolarHBondContact N-O 3.05Å; L69-F85 PolarHBondContact O-N 2.86Å; L69-L87 HydrophobicContact CD1-CD1 4.18Å
70	S	93.4	Very high	89.2	Confident	25 Å²	25	63.8 Å²	63.8	18%	0.175	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	149.3	171.3	-179.1	0	0	0	0	110.3	G72 D73 L74 Y81 R83	S70-G72 PolarHBondContact O-N 3.34Å; S70-G72 PolarHBondContact OG-N 2.77Å; S70-D73 PolarHBondContact O-N 3.44Å; S70-D73 VanDerWaalsContact O-N 3.11Å; S70-L74 PolarHBondContact O-N 3.42Å; S70-Y81 WeakPolarHBondContact OG-CA 3.46Å; S70-Y81 PolarHBondContact OG-O 2.86Å; S70-R83 CarbonylContact C-O 3.41Å
71	L	92.7	Very high	89.1	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61	-29.1	170.9	-178.4	57.4	0	0	0	111.9	F39 D73 L74 S75 N78 E80 R83 F85 I190	F39-L71 HydrophobicContact CD1-CD1 4.43Å; F39-L71 HydrophobicContact CE1-CD1 4.32Å; L71-D73 PolarHBondContact O-N 2.93Å; L71-L74 HydrophobicContact CD1-CB 4.48Å; L71-L74 PolarHBondContact O-N 2.71Å; L71-L74 VanDerWaalsContact O-N 3.14Å; L71-S75 PolarHBondContact O-N 3.4Å; L71-N78 HydrophobicContact CD2-CB 4.33Å; L71-N78 HydrophobicContact CG-CB 4.31Å; L71-E80 HydrophobicContact CD2-CB 4.25Å; L71-R83 HydrophobicContact CB-CB 4.07Å; L71-R83 HydrophobicContact CD2-CB 4.36Å; L71-R83 PolarHBondContact N-O 2.85Å; L71-F85 HydrophobicContact CB-CD2 4.24Å; L71-F85 HydrophobicContact CB-CE2 4.05Å; L71-F85 HydrophobicContact CD1-CD2 4.34Å; L71-F85 HydrophobicContact CD1-CE2 3.81Å; L71-F85 HydrophobicContact CD2-CE2 4.25Å; L71-F85 HydrophobicContact CG-CE2 4.25Å; L71-I190 HydrophobicContact CD1-CG1 4.4Å; L71-I190 HydrophobicContact CD1-CG2 4.26Å; L71-I190 HydrophobicContact CD2-CG2 4.37Å
72	G	90.9	Very high	89.1	Confident	24 Å²	24	63.9 Å²	63.9	25%	0.247	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-26.8	174.6	0	0	0	0	0	113.5	S70	S70-G72 PolarHBondContact O-N 3.34Å; S70-G72 PolarHBondContact OG-N 2.77Å
73	D	90.3	Very high	89.1	Confident	89 Å²	89	63.9 Å²	63.9	48%	0.476	32%	0.324	S	S	.	.	H	α-helix	trans	-82.2	-25.5	175.3	-57.5	-40.6	0	0	0	111.9	R41 S70 L71	R41-D73 VanDerWaalsContact CD-O 3.31Å; R41-D73 WeakPolarHBondContact CD-O 3.45Å; S70-D73 PolarHBondContact O-N 3.44Å; S70-D73 VanDerWaalsContact O-N 3.11Å; L71-D73 PolarHBondContact O-N 2.93Å
74	L	91.5	Very high	89.2	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-92.3	-23.4	-175.7	-67.3	172.2	0	0	0	113.3	A35 F39 S40 R41 C44 L69 S70 L71 F85 L87	A35-L74 HydrophobicContact CB-CD2 3.92Å; F39-L74 HydrophobicContact CB-CB 4.17Å; F39-L74 HydrophobicContact CB-CD2 4.49Å; F39-L74 HydrophobicContact CD1-CB 3.7Å; F39-L74 HydrophobicContact CD1-CD1 3.98Å; F39-L74 HydrophobicContact CD1-CG 4.33Å; F39-L74 HydrophobicContact CE1-CB 4.35Å; F39-L74 HydrophobicContact CE1-CD1 3.85Å; F39-L74 HydrophobicContact CE2-CD1 4.46Å; F39-L74 HydrophobicContact CG-CB 4.04Å; F39-L74 HydrophobicContact CG-CD1 4.34Å; F39-L74 HydrophobicContact CG-CD2 4.32Å; F39-L74 HydrophobicContact CG-CG 4.48Å; F39-L74 HydrophobicContact CZ-CD1 4.11Å; S40-L74 PolarHBondContact N-O 3.04Å; R41-L74 PolarHBondContact N-O 3.48Å; C44-L74 HydrophobicContact CB-CD2 4.28Å; C44-L74 WeakPolarHBondContact SG-CD2 3.46Å; L69-L74 HydrophobicContact CB-CD1 4.17Å; L69-L74 HydrophobicContact CB-CG 4.25Å; L69-L74 HydrophobicContact CD1-CD2 3.9Å; S70-L74 PolarHBondContact O-N 3.42Å; L71-L74 HydrophobicContact CD1-CB 4.48Å; L71-L74 PolarHBondContact O-N 2.71Å; L71-L74 VanDerWaalsContact O-N 3.14Å; L74-F85 HydrophobicContact CD1-CB 3.87Å; L74-F85 HydrophobicContact CD1-CD2 4.21Å; L74-F85 HydrophobicContact CD1-CG 4.21Å; L74-L87 HydrophobicContact CD2-CD1 4.3Å
75	S	87.3	Confident	89.3	Confident	19 Å²	19	61.2 Å²	61.2	13%	0.133	30%	0.301	C	S	.	.			trans	-135.5	127.3	-176.9	-176.1	0	0	0	0	110.6	L71 K77 N78	L71-S75 PolarHBondContact O-N 3.4Å; S75-K77 VanDerWaalsContact C-N 3.31Å; S75-K77 PolarHBondContact O-N 3.14Å; S75-N78 PolarHBondContact OG-ND2 2.93Å
76	E	78.8	Confident	89.4	Confident	126 Å²	126	59.7 Å²	59.7	59%	0.589	30%	0.296	S	S	*	.	S	Bend	trans	-73.6	-24.6	-177.8	-56.7	-163	140.8	0	0	113.4	R41	R41-E76 HydrophobicContact CG-CG 3.99Å; R41-E76 IonicContact CZ-OE1 3.28Å; R41-E76 VanDerWaalsContact CZ-OE1 3.28Å; R41-E76 VanDerWaalsContact NE-CG 3.33Å; R41-E76 IonicContact NE-OE1 3.53Å; R41-E76 PolarHBondContact NE-OE1 3.2Å; R41-E76 IonicContact NH2-OE1 2.84Å; R41-E76 PolarHBondContact NH2-OE1 2.76Å
77	K	76.7	Confident	89.4	Confident	193 Å²	193	56.6 Å²	56.6	84%	0.839	28%	0.278	S	S	*	.	S	Bend	trans	-100.2	-8.9	-170.4	-64.1	-176.4	179.7	-179.5	0	114	S75	S75-K77 VanDerWaalsContact C-N 3.31Å; S75-K77 PolarHBondContact O-N 3.14Å
78	N	70.7	Confident	89.4	Confident	52 Å²	52	57.1 Å²	57.1	28%	0.278	28%	0.278	S	S	.	.			trans	-99.6	118.5	-172.4	-77.2	-17.9	0	0	0	111.5	L71 S75 E80 I190	L71-N78 HydrophobicContact CD2-CB 4.33Å; L71-N78 HydrophobicContact CG-CB 4.31Å; S75-N78 PolarHBondContact OG-ND2 2.93Å; N78-E80 PolarHBondContact O-N 3.35Å; N78-I190 VanDerWaalsContact ND2-CG2 3.27Å; N78-I190 WeakPolarHBondContact ND2-CG2 3.24Å
79	E	74.4	Confident	89.3	Confident	170 Å²	170	53.1 Å²	53.1	79%	0.794	25%	0.254	S	S	*	.			trans	-74.4	1.8	172.1	-61.9	-174.8	169.6	0	0	113.1	Y81	E79-Y81 VanDerWaalsContact C-N 3.25Å; E79-Y81 WeakPolarHBondContact O-CD1 3.3Å; E79-Y81 WeakPolarHBondContact O-CE1 3.43Å; E79-Y81 PolarHBondContact O-N 3.14Å
80	E	83.3	Confident	89.3	Confident	51 Å²	51	54.2 Å²	54.2	24%	0.238	26%	0.258	C	S	.	.			trans	-85.3	56.9	-177.6	-59.8	-164.1	159.6	0	0	113	L71 N78 F82 R83	L71-E80 HydrophobicContact CD2-CB 4.25Å; N78-E80 PolarHBondContact O-N 3.35Å; E80-F82 HydrophobicContact CB-CD1 4.41Å; E80-F82 HydrophobicContact CB-CE1 3.83Å; E80-F82 HydrophobicContact CB-CZ 3.88Å; E80-F82 HydrophobicContact CG-CE1 3.88Å; E80-F82 HydrophobicContact CG-CZ 3.85Å; E80-F82 PolarHBondContact O-N 3.04Å; E80-R83 PolarHBondContact O-N 3.45Å; E80-R83 IonicContact OE2-CZ 3.52Å; E80-R83 VanDerWaalsContact OE2-CZ 3.27Å; E80-R83 IonicContact OE2-NE 2.75Å; E80-R83 PolarHBondContact OE2-NE 2.83Å; E80-R83 IonicContact OE2-NH2 2.66Å; E80-R83 PolarHBondContact OE2-NH2 2.8Å
81	Y	91	Very high	89.4	Confident	159 Å²	159	54.1 Å²	54.1	62%	0.624	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.8	177.2	46	-97.9	0	0	0	114	S70 E79 R83	S70-Y81 WeakPolarHBondContact OG-CA 3.46Å; S70-Y81 PolarHBondContact OG-O 2.86Å; E79-Y81 VanDerWaalsContact C-N 3.25Å; E79-Y81 WeakPolarHBondContact O-CD1 3.3Å; E79-Y81 WeakPolarHBondContact O-CE1 3.43Å; E79-Y81 PolarHBondContact O-N 3.14Å; Y81-R83 PolarHBondContact O-N 3.35Å
82	F	93.6	Very high	89.4	Confident	22 Å²	22	55.1 Å²	55.1	10%	0.096	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.4	178.7	60.5	-100.6	0	0	0	113.7	E80 L106 T107 K110 F212	E80-F82 HydrophobicContact CB-CD1 4.41Å; E80-F82 HydrophobicContact CB-CE1 3.83Å; E80-F82 HydrophobicContact CB-CZ 3.88Å; E80-F82 HydrophobicContact CG-CE1 3.88Å; E80-F82 HydrophobicContact CG-CZ 3.85Å; E80-F82 PolarHBondContact O-N 3.04Å; F82-L106 HydrophobicContact CD2-CD2 3.54Å; F82-L106 HydrophobicContact CE2-CD2 3.86Å; F82-L106 CarbonylContact O-C 3.58Å; F82-L106 WeakPolarHBondContact O-CA 3.19Å; F82-T107 WeakPolarHBondContact CA-OG1 3.34Å; F82-T107 HydrophobicContact CB-CG2 4.47Å; F82-T107 WeakPolarHBondContact CB-OG1 3.4Å; F82-T107 WeakPolarHBondContact O-CG2 3.3Å; F82-T107 PolarHBondContact O-N 2.66Å; F82-K110 HydrophobicContact CB-CB 3.56Å; F82-K110 HydrophobicContact CB-CG 3.8Å; F82-K110 HydrophobicContact CD1-CD 4.42Å; F82-K110 HydrophobicContact CD1-CG 4.31Å; F82-K110 HydrophobicContact CD2-CB 4.45Å; F82-K110 HydrophobicContact CD2-CG 3.84Å; F82-K110 HydrophobicContact CE2-CG 4.5Å; F82-K110 HydrophobicContact CG-CB 4.09Å; F82-K110 HydrophobicContact CG-CD 4.32Å; F82-K110 HydrophobicContact CG-CG 3.72Å; F82-F212 HydrophobicContact CE2-CE1 4.36Å; F82-F212 HydrophobicContact CZ-CE1 4.32Å
83	R	94.5	Very high	89.5	Confident	1 Å²	1	58.4 Å²	58.4	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.7	173.7	-64.6	-177.5	-169.4	-109.4	-21.5	110.3	S70 L71 E80 Y81 F85 L106 L189 D192	S70-R83 CarbonylContact C-O 3.41Å; L71-R83 HydrophobicContact CB-CB 4.07Å; L71-R83 HydrophobicContact CD2-CB 4.36Å; L71-R83 PolarHBondContact N-O 2.85Å; E80-R83 PolarHBondContact O-N 3.45Å; E80-R83 IonicContact OE2-CZ 3.52Å; E80-R83 VanDerWaalsContact OE2-CZ 3.27Å; E80-R83 IonicContact OE2-NE 2.75Å; E80-R83 PolarHBondContact OE2-NE 2.83Å; E80-R83 IonicContact OE2-NH2 2.66Å; E80-R83 PolarHBondContact OE2-NH2 2.8Å; Y81-R83 PolarHBondContact O-N 3.35Å; R83-F85 HydrophobicContact CB-CE2 4.38Å; R83-L106 HydrophobicContact CG-CD2 4.28Å; R83-L189 PolarHBondContact NH1-O 3.44Å; R83-D192 VanDerWaalsContact CZ-CB 3.4Å; R83-D192 VanDerWaalsContact CZ-CG 3.41Å; R83-D192 IonicContact CZ-OD1 2.64Å; R83-D192 IonicContact CZ-OD2 2.91Å; R83-D192 IonicContact NH1-OD1 3.5Å; R83-D192 PolarHBondContact NH1-OD1 3.3Å; R83-D192 IonicContact NH1-OD2 3.34Å; R83-D192 PolarHBondContact NH1-OD2 3.04Å; R83-D192 IonicContact NH2-OD1 3.27Å; R83-D192 IonicContact NH2-OD2 3.75Å; R83-D192 PolarHBondContact NH2-OD2 2.87Å
84	K	95.5	Very high	89.5	Confident	71 Å²	71	57.3 Å²	57.3	31%	0.309	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.8	175	-65.4	176.5	-73.6	-172.2	0	110.2	L69 L104 E105 T107	L69-K84 CarbonylContact O-C 3.59Å; L69-K84 VanDerWaalsContact O-CA 3.27Å; L69-K84 WeakPolarHBondContact O-CA 3.39Å; K84-L104 CarbonylContact O-C 3.59Å; K84-L104 WeakPolarHBondContact O-CA 3.33Å; K84-E105 WeakPolarHBondContact CA-O 3.32Å; K84-E105 WeakPolarHBondContact CB-O 3.19Å; K84-E105 PolarHBondContact N-O 3.08Å; K84-E105 PolarHBondContact O-N 3.25Å; K84-T107 HydrophobicContact CD-CG2 3.8Å; K84-T107 HydrophobicContact CG-CG2 3.94Å
85	F	95.5	Very high	89.5	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137	173.3	-76.8	-95	0	0	0	110.1	F39 T68 L69 L71 L74 R83 F101 L104 V186 I190	F39-F85 HydrophobicContact CE1-CD1 4.17Å; F39-F85 HydrophobicContact CE1-CD2 4.29Å; F39-F85 HydrophobicContact CE1-CE1 4.15Å; F39-F85 HydrophobicContact CE1-CE2 4.29Å; F39-F85 HydrophobicContact CE1-CG 4.23Å; F39-F85 HydrophobicContact CE1-CZ 4.2Å; F39-F85 AromaticContact CZ-CD1 3.69Å; F39-F85 HydrophobicContact CZ-CD1 3.69Å; F39-F85 AromaticContact CZ-CE1 3.93Å; F39-F85 HydrophobicContact CZ-CE1 3.93Å; F39-F85 HydrophobicContact CZ-CG 4.01Å; F39-F85 HydrophobicContact CZ-CZ 4.44Å; T68-F85 CarbonylContact C-O 3.59Å; T68-F85 WeakPolarHBondContact CA-O 3.49Å; L69-F85 PolarHBondContact N-O 3.05Å; L69-F85 PolarHBondContact O-N 2.86Å; L71-F85 HydrophobicContact CB-CD2 4.24Å; L71-F85 HydrophobicContact CB-CE2 4.05Å; L71-F85 HydrophobicContact CD1-CD2 4.34Å; L71-F85 HydrophobicContact CD1-CE2 3.81Å; L71-F85 HydrophobicContact CD2-CE2 4.25Å; L71-F85 HydrophobicContact CG-CE2 4.25Å; L74-F85 HydrophobicContact CD1-CB 3.87Å; L74-F85 HydrophobicContact CD1-CD2 4.21Å; L74-F85 HydrophobicContact CD1-CG 4.21Å; R83-F85 HydrophobicContact CB-CE2 4.38Å; F85-F101 AromaticContact CD1-CD2 3.88Å; F85-F101 HydrophobicContact CD1-CD2 3.88Å; F85-F101 AromaticContact CD1-CE2 3.64Å; F85-F101 HydrophobicContact CD1-CE2 3.64Å; F85-F101 HydrophobicContact CE1-CD2 4.29Å; F85-F101 AromaticContact CE1-CE2 3.87Å; F85-F101 HydrophobicContact CE1-CE2 3.87Å; F85-L104 HydrophobicContact CD1-CD1 4.4Å; F85-L104 HydrophobicContact CE1-CD1 3.75Å; F85-L104 HydrophobicContact CE2-CD1 4.05Å; F85-L104 HydrophobicContact CZ-CD1 3.55Å; F85-V186 HydrophobicContact CE1-CG1 4.19Å; F85-I190 HydrophobicContact CZ-CG1 4.15Å
86	K	96.2	Very high	89.8	Confident	53 Å²	53	67.7 Å²	67.7	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.1	171.1	-52.9	-161.2	177.8	174.5	0	107.8	V66 V67 T68 H102 G103 E105	V66-K86 HydrophobicContact CG1-CB 3.83Å; V67-K86 CarbonylContact O-C 3.55Å; V67-K86 WeakPolarHBondContact O-CA 3.18Å; T68-K86 HydrophobicContact CG2-CD 4.11Å; T68-K86 HydrophobicContact CG2-CG 3.91Å; K86-H102 HydrophobicContact CB-CB 4.21Å; K86-H102 WeakPolarHBondContact O-CA 3.46Å; K86-H102 WeakPolarHBondContact O-CB 3.16Å; K86-H102 PolarHBondContact O-N 3.39Å; K86-G103 PolarHBondContact N-O 2.72Å; K86-G103 PolarHBondContact O-N 3.47Å; K86-E105 VanDerWaalsContact CE-OE2 3.29Å; K86-E105 WeakPolarHBondContact CE-OE2 3.44Å; K86-E105 IonicContact NZ-OE2 3.95Å; K86-E105 PolarHBondContact NZ-OE2 2.81Å
87	L	95.7	Very high	90.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.8	178.9	-62.3	-177.1	0	0	0	108.7	A35 F39 V66 V67 L69 L74 T99 N100	A35-L87 HydrophobicContact CB-CD1 3.87Å; F39-L87 HydrophobicContact CE2-CD2 4.11Å; V66-L87 CarbonylContact C-O 3.56Å; V66-L87 WeakPolarHBondContact CA-O 3.31Å; V67-L87 PolarHBondContact N-O 3.3Å; V67-L87 PolarHBondContact O-N 2.89Å; L69-L87 HydrophobicContact CD1-CD1 4.18Å; L74-L87 HydrophobicContact CD2-CD1 4.3Å; L87-T99 HydrophobicContact CB-CG2 4.26Å; L87-N100 CarbonylContact C-O 3.53Å; L87-N100 WeakPolarHBondContact CA-O 3.49Å
88	Q	95.1	Very high	91.4	Very high	40 Å²	40	52.8 Å²	52.8	19%	0.187	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.8	178.2	-177.9	178.4	-1.1	0	0	109.8	R65 V66 E90 T99 N100 H102	R65-Q88 WeakPolarHBondContact O-CA 3.36Å; V66-Q88 HydrophobicContact CG2-CB 4.13Å; V66-Q88 HydrophobicContact CG2-CG 4.12Å; Q88-E90 PolarHBondContact O-N 2.89Å; Q88-T99 CarbonylContact O-C 3.55Å; Q88-T99 WeakPolarHBondContact O-CA 3.32Å; Q88-T99 WeakPolarHBondContact O-CB 3.24Å; Q88-N100 PolarHBondContact N-O 2.78Å; Q88-N100 PolarHBondContact O-N 2.84Å; Q88-H102 HydrophobicContact CB-CB 3.94Å; Q88-H102 PolarHBondContact OE1-ND1 2.95Å; Q88-H102 VanDerWaalsContact OE1-ND1 3.14Å
89	V	95.1	Very high	92.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	118.5	171.2	-179.3	0	0	0	0	108.9	L62 G64 R65 V92 C97 T99	L62-V89 WeakPolarHBondContact O-CB 3.36Å; G64-V89 PolarHBondContact N-O 2.85Å; R65-V89 HydrophobicContact CB-CG2 4.43Å; R65-V89 PolarHBondContact O-N 3Å; V89-V92 HydrophobicContact CG1-CG2 4.19Å; V89-C97 HydrophobicContact CG1-CB 3.79Å; V89-C97 HydrophobicContact CG2-CB 4.03Å; V89-T99 HydrophobicContact CG2-CG2 3.87Å
90	E	93.8	Very high	93.5	Very high	43 Å²	43	42.2 Å²	42.2	20%	0.201	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-36.2	177.6	-74.6	-175.4	173.1	0	0	111.7	K63 Q88 L98 N100 K221 L229	K63-E90 WeakPolarHBondContact CD-O 3.33Å; K63-E90 WeakPolarHBondContact CG-O 3.44Å; Q88-E90 PolarHBondContact O-N 2.89Å; E90-L98 PolarHBondContact N-O 3.15Å; E90-N100 VanDerWaalsContact CD-CB 3.4Å; E90-N100 VanDerWaalsContact CD-ND2 3.34Å; E90-N100 HydrophobicContact CG-CB 4.08Å; E90-N100 PolarHBondContact OE1-ND2 2.94Å; E90-N100 VanDerWaalsContact OE1-ND2 3.14Å; E90-N100 VanDerWaalsContact OE2-CB 3.3Å; E90-N100 WeakPolarHBondContact OE2-CB 3.38Å; E90-N100 PolarHBondContact OE2-ND2 2.82Å; E90-K221 IonicContact OE1-NZ 2.73Å; E90-K221 PolarHBondContact OE1-NZ 2.91Å; E90-L229 HydrophobicContact CB-CD1 4.45Å; E90-L229 HydrophobicContact CB-CD2 4Å
91	D	94.4	Very high	94.1	Very high	22 Å²	22	39.9 Å²	39.9	12%	0.118	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	159.3	178.2	-162	41.1	0	0	0	113.5	K63 L98 L226 L229	K63-D91 WeakPolarHBondContact CE-OD1 3.12Å; K63-D91 IonicContact NZ-OD1 2.67Å; K63-D91 PolarHBondContact NZ-OD1 2.81Å; D91-L98 PolarHBondContact N-O 3.12Å; D91-L98 PolarHBondContact O-N 2.91Å; D91-L226 HydrophobicContact CB-CD1 4.1Å; D91-L226 WeakPolarHBondContact OD2-CD1 3.34Å; D91-L229 HydrophobicContact CB-CD2 3.52Å
92	V	93.6	Very high	94.3	Very high	21 Å²	21	35 Å²	35	13%	0.127	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	114.2	-179.5	-176.1	0	0	0	0	108.8	Y31 L62 K63 V89 H96	Y31-V92 HydrophobicContact CD1-CG1 3.76Å; Y31-V92 HydrophobicContact CE1-CG1 3.57Å; L62-V92 HydrophobicContact CB-CG2 3.87Å; L62-V92 HydrophobicContact CD1-CG1 4.24Å; L62-V92 HydrophobicContact CD1-CG2 4.16Å; K63-V92 HydrophobicContact CG-CG2 4.43Å; V89-V92 HydrophobicContact CG1-CG2 4.19Å; V92-H96 CarbonylContact C-O 3.58Å; V92-H96 WeakPolarHBondContact CA-O 3.41Å
93	Q	91.9	Very high	94.4	Very high	93 Å²	93	34 Å²	34	44%	0.435	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	107.8	176.7	-69.8	-165.5	-30.2	0	0	110.3	R95 H96 L98 M230	Q93-R95 PolarHBondContact O-N 3.35Å; Q93-H96 PolarHBondContact N-O 2.74Å; Q93-H96 PolarHBondContact O-N 3.08Å; Q93-L98 HydrophobicContact CG-CD1 4.05Å; Q93-M230 HydrophobicContact CG-CE 4.39Å; Q93-M230 PolarHBondContact NE2-SD 2.84Å; Q93-M230 VanDerWaalsContact NE2-SD 3.35Å
94	G	90.4	Very high	94.5	Very high	67 Å²	67	34 Å²	34	69%	0.691	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	-113.1	-176.1	0	0	0	0	0	110.7	Y31	Y31-G94 WeakPolarHBondContact CE1-O 3.16Å
95	R	91.7	Very high	94.6	Very high	172 Å²	172	33.2 Å²	33.2	65%	0.649	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	4.8	174.6	-71.2	-174.3	176.2	169.3	0.3	114.3	Y31 D32 Q93	Y31-R95 CarbonylContact C-O 3.49Å; Y31-R95 VanDerWaalsContact CA-O 3.32Å; Y31-R95 WeakPolarHBondContact CA-O 3.41Å; D32-R95 PolarHBondContact N-O 3.35Å; Q93-R95 PolarHBondContact O-N 3.35Å
96	H	94.1	Very high	94.5	Very high	64 Å²	64	33.8 Å²	33.8	30%	0.296	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.1	-178	-60	-49.1	0	0	0	111.5	D32 K34 V92 Q93	D32-H96 CarbonylContact O-C 3.59Å; D32-H96 WeakPolarHBondContact O-CA 3.42Å; K34-H96 HydrophobicContact CD-CB 4.06Å; K34-H96 VanDerWaalsContact CE-CG 3.42Å; K34-H96 WeakPolarHBondContact CE-ND1 3.37Å; K34-H96 HydrophobicContact CG-CB 4.44Å; K34-H96 PolarHBondContact NZ-CD2 3.33Å; K34-H96 PolarHBondContact NZ-NE2 3.3Å; V92-H96 CarbonylContact C-O 3.58Å; V92-H96 WeakPolarHBondContact CA-O 3.41Å; Q93-H96 PolarHBondContact N-O 2.74Å; Q93-H96 PolarHBondContact O-N 3.08Å
97	C	94.5	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113.2	171.6	-63.2	0	0	0	0	109.2	D32 I33 K34 V89	D32-C97 PolarHBondContact O-N 2.85Å; I33-C97 HydrophobicContact CG1-CB 4.3Å; K34-C97 PolarHBondContact N-O 2.84Å; V89-C97 HydrophobicContact CG1-CB 3.79Å; V89-C97 HydrophobicContact CG2-CB 4.03Å
98	L	94.9	Very high	94.6	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.6	174.7	-59.3	-177.2	0	0	0	109.1	K34 E90 D91 Q93 L229 M230 H233	K34-L98 HydrophobicContact CB-CD2 4.37Å; K34-L98 HydrophobicContact CD-CD2 4.49Å; E90-L98 PolarHBondContact N-O 3.15Å; D91-L98 PolarHBondContact N-O 3.12Å; D91-L98 PolarHBondContact O-N 2.91Å; Q93-L98 HydrophobicContact CG-CD1 4.05Å; L98-L229 HydrophobicContact CB-CD2 4.07Å; L98-L229 HydrophobicContact CB-CG 4.42Å; L98-L229 HydrophobicContact CD1-CD2 4.32Å; L98-M230 HydrophobicContact CD1-CE 3.76Å; L98-M230 HydrophobicContact CD1-SD 3.92Å; L98-H233 HydrophobicContact CD2-CB 4.39Å
99	T	95.2	Very high	94.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	155.9	-179.8	62.5	0	0	0	0	112.9	I33 K34 P36 L87 Q88 V89 H233	I33-T99 HydrophobicContact CG2-CG2 3.54Å; K34-T99 PolarHBondContact O-N 2.51Å; K34-T99 VanDerWaalsContact O-N 3.15Å; K34-T99 PolarHBondContact O-OG1 3.12Å; P36-T99 WeakPolarHBondContact CG-O 3.21Å; L87-T99 HydrophobicContact CB-CG2 4.26Å; Q88-T99 CarbonylContact O-C 3.55Å; Q88-T99 WeakPolarHBondContact O-CA 3.32Å; Q88-T99 WeakPolarHBondContact O-CB 3.24Å; V89-T99 HydrophobicContact CG2-CG2 3.87Å; T99-H233 PolarHBondContact O-NE2 3.08Å
100	N	94.5	Very high	94.6	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	157.4	174.2	-168.7	4.4	0	0	0	109.8	L87 Q88 E90 H102 Y134 L229	L87-N100 CarbonylContact C-O 3.53Å; L87-N100 WeakPolarHBondContact CA-O 3.49Å; Q88-N100 PolarHBondContact N-O 2.78Å; Q88-N100 PolarHBondContact O-N 2.84Å; E90-N100 VanDerWaalsContact CD-CB 3.4Å; E90-N100 VanDerWaalsContact CD-ND2 3.34Å; E90-N100 HydrophobicContact CG-CB 4.08Å; E90-N100 PolarHBondContact OE1-ND2 2.94Å; E90-N100 VanDerWaalsContact OE1-ND2 3.14Å; E90-N100 VanDerWaalsContact OE2-CB 3.3Å; E90-N100 WeakPolarHBondContact OE2-CB 3.38Å; E90-N100 PolarHBondContact OE2-ND2 2.82Å; N100-H102 PolarHBondContact O-N 3.24Å; N100-Y134 PolarHBondContact ND2-OH 2.67Å; N100-L229 HydrophobicContact CB-CD1 4.21Å
101	F	95.1	Very high	94.6	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.5	177.4	178.1	-94.9	0	0	0	111.1	F85 G103 L104 L182 V186 L189 V216 V218	F85-F101 AromaticContact CD1-CD2 3.88Å; F85-F101 HydrophobicContact CD1-CD2 3.88Å; F85-F101 AromaticContact CD1-CE2 3.64Å; F85-F101 HydrophobicContact CD1-CE2 3.64Å; F85-F101 HydrophobicContact CE1-CD2 4.29Å; F85-F101 AromaticContact CE1-CE2 3.87Å; F85-F101 HydrophobicContact CE1-CE2 3.87Å; F101-G103 VanDerWaalsContact CE2-O 3.31Å; F101-G103 WeakPolarHBondContact CE2-O 3.24Å; F101-G103 VanDerWaalsContact CZ-C 3.47Å; F101-L104 HydrophobicContact CE2-CB 4.2Å; F101-L104 HydrophobicContact CZ-CB 4.16Å; F101-L182 HydrophobicContact CB-CD2 4.35Å; F101-L182 HydrophobicContact CD1-CD1 3.87Å; F101-L182 HydrophobicContact CE1-CD1 4.46Å; F101-V186 HydrophobicContact CB-CG2 3.95Å; F101-V186 HydrophobicContact CD1-CG2 4.1Å; F101-V186 HydrophobicContact CD2-CG2 3.69Å; F101-V186 HydrophobicContact CE2-CG2 4.15Å; F101-V186 HydrophobicContact CG-CG2 3.64Å; F101-L189 HydrophobicContact CZ-CD1 4.09Å; F101-V216 HydrophobicContact CE1-CG1 4.14Å; F101-V216 HydrophobicContact CZ-CB 4.26Å; F101-V216 HydrophobicContact CZ-CG1 4.13Å; F101-V218 HydrophobicContact CD1-CG2 4.18Å; F101-V218 HydrophobicContact CE1-CG2 4.28Å
102	H	95.1	Very high	94.7	Very high	57 Å²	57	49.5 Å²	49.5	26%	0.264	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-23.7	178.5	-173	69.2	0	0	0	112.7	K86 Q88 N100 V218	K86-H102 HydrophobicContact CB-CB 4.21Å; K86-H102 WeakPolarHBondContact O-CA 3.46Å; K86-H102 WeakPolarHBondContact O-CB 3.16Å; K86-H102 PolarHBondContact O-N 3.39Å; Q88-H102 HydrophobicContact CB-CB 3.94Å; Q88-H102 PolarHBondContact OE1-ND1 2.95Å; Q88-H102 VanDerWaalsContact OE1-ND1 3.14Å; N100-H102 PolarHBondContact O-N 3.24Å; H102-V218 WeakPolarHBondContact O-CG2 3.49Å; H102-V218 PolarHBondContact O-N 2.95Å
103	G	96.1	Very high	94.7	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.5	174.9	175.5	0	0	0	0	0	113.4	K86 F101 V216	K86-G103 PolarHBondContact N-O 2.72Å; K86-G103 PolarHBondContact O-N 3.47Å; F101-G103 VanDerWaalsContact CE2-O 3.31Å; F101-G103 WeakPolarHBondContact CE2-O 3.24Å; F101-G103 VanDerWaalsContact CZ-C 3.47Å; G103-V216 WeakPolarHBondContact CA-O 3.48Å
104	L	96.4	Very high	94.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.1	177.8	177.3	147.7	0	0	0	108.8	K84 F85 F101 L189 I213 K215 V216	K84-L104 CarbonylContact O-C 3.59Å; K84-L104 WeakPolarHBondContact O-CA 3.33Å; F85-L104 HydrophobicContact CD1-CD1 4.4Å; F85-L104 HydrophobicContact CE1-CD1 3.75Å; F85-L104 HydrophobicContact CE2-CD1 4.05Å; F85-L104 HydrophobicContact CZ-CD1 3.55Å; F101-L104 HydrophobicContact CE2-CB 4.2Å; F101-L104 HydrophobicContact CZ-CB 4.16Å; L104-L189 HydrophobicContact CD1-CB 4.15Å; L104-L189 HydrophobicContact CD1-CD1 4.45Å; L104-L189 HydrophobicContact CD1-CD2 4.4Å; L104-I213 HydrophobicContact CD2-CG2 4.21Å; L104-K215 CarbonylContact O-C 3.45Å; L104-K215 VanDerWaalsContact O-CA 3.24Å; L104-K215 WeakPolarHBondContact O-CA 3.12Å; L104-K215 WeakPolarHBondContact O-CG 2.92Å; L104-V216 HydrophobicContact CB-CB 4.02Å; L104-V216 HydrophobicContact CB-CG2 4.1Å; L104-V216 HydrophobicContact CD2-CG2 4.43Å; L104-V216 PolarHBondContact N-O 3.04Å; L104-V216 PolarHBondContact O-N 3.46Å
105	E	96.4	Very high	94.9	Very high	54 Å²	54	48.1 Å²	48.1	25%	0.252	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	135.8	178.8	-176.6	154.6	-143	0	0	110.4	K84 K86 K215	K84-E105 WeakPolarHBondContact CA-O 3.32Å; K84-E105 WeakPolarHBondContact CB-O 3.19Å; K84-E105 PolarHBondContact N-O 3.08Å; K84-E105 PolarHBondContact O-N 3.25Å; K86-E105 VanDerWaalsContact CE-OE2 3.29Å; K86-E105 WeakPolarHBondContact CE-OE2 3.44Å; K86-E105 IonicContact NZ-OE2 3.95Å; K86-E105 PolarHBondContact NZ-OE2 2.81Å; E105-K215 IonicContact OE1-NZ 2.74Å; E105-K215 PolarHBondContact OE1-NZ 2.88Å; E105-K215 IonicContact OE2-NZ 2.76Å
106	L	95.3	Very high	94.9	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	153.3	170.9	-67.7	173.8	0	0	0	111.5	F82 R83 F212 R214	F82-L106 HydrophobicContact CD2-CD2 3.54Å; F82-L106 HydrophobicContact CE2-CD2 3.86Å; F82-L106 CarbonylContact O-C 3.58Å; F82-L106 WeakPolarHBondContact O-CA 3.19Å; R83-L106 HydrophobicContact CG-CD2 4.28Å; L106-F212 HydrophobicContact CD1-CB 3.94Å; L106-F212 HydrophobicContact CD1-CG 4.48Å; L106-R214 HydrophobicContact CD1-CB 4.37Å; L106-R214 PolarHBondContact N-O 3.14Å; L106-R214 VanDerWaalsContact N-O 3.1Å
107	T	96.8	Very high	94.8	Very high	15 Å²	15	48.7 Å²	48.7	9%	0.092	25%	0.248	C	C	.	.			trans	-67.1	152.1	167.6	64	0	0	0	0	111	F82 K84 D109 K110 L111	F82-T107 WeakPolarHBondContact CA-OG1 3.34Å; F82-T107 HydrophobicContact CB-CG2 4.47Å; F82-T107 WeakPolarHBondContact CB-OG1 3.4Å; F82-T107 WeakPolarHBondContact O-CG2 3.3Å; F82-T107 PolarHBondContact O-N 2.66Å; K84-T107 HydrophobicContact CD-CG2 3.8Å; K84-T107 HydrophobicContact CG-CG2 3.94Å; T107-D109 WeakPolarHBondContact CB-OD1 3.36Å; T107-D109 VanDerWaalsContact OG1-CG 3.3Å; T107-D109 PolarHBondContact OG1-OD1 3.35Å; T107-D109 VanDerWaalsContact OG1-OD1 3.11Å; T107-D109 PolarHBondContact OG1-OD2 3.19Å; T107-K110 PolarHBondContact O-N 2.79Å; T107-K110 WeakPolarHBondContact OG1-CB 3.41Å; T107-L111 PolarHBondContact O-N 2.81Å
108	R	95.4	Very high	94.6	Very high	199 Å²	199	55.6 Å²	55.6	75%	0.751	28%	0.275	S	S	*	.	H	α-helix	trans	-70.1	-41.6	-173.3	-179.3	179.6	176.1	-179.6	-0.9	110.6	L111 C112	R108-L111 PolarHBondContact O-N 2.68Å; R108-C112 WeakPolarHBondContact O-CB 3.43Å; R108-C112 PolarHBondContact O-N 3.4Å; R108-C112 PolarHBondContact O-SG 3.23Å
109	D	95.8	Very high	94.6	Very high	100 Å²	100	58.2 Å²	58.2	54%	0.535	28%	0.284	S	S	.	.	H	α-helix	trans	-52.5	-52.8	172	48.1	-69.1	0	0	0	111.7	T107 L111 C112 S113	T107-D109 WeakPolarHBondContact CB-OD1 3.36Å; T107-D109 VanDerWaalsContact OG1-CG 3.3Å; T107-D109 PolarHBondContact OG1-OD1 3.35Å; T107-D109 VanDerWaalsContact OG1-OD1 3.11Å; T107-D109 PolarHBondContact OG1-OD2 3.19Å; D109-L111 PolarHBondContact O-N 2.8Å; D109-C112 PolarHBondContact O-N 3.18Å; D109-S113 WeakPolarHBondContact O-CB 3.47Å; D109-S113 PolarHBondContact O-N 3.35Å; D109-S113 PolarHBondContact O-OG 2.89Å
110	K	94.8	Very high	94.5	Very high	45 Å²	45	59 Å²	59	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-41.4	176.9	-176.5	60.5	178.2	167.7	0	112.5	F82 T107 C112 S113 V114 E210	F82-K110 HydrophobicContact CB-CB 3.56Å; F82-K110 HydrophobicContact CB-CG 3.8Å; F82-K110 HydrophobicContact CD1-CD 4.42Å; F82-K110 HydrophobicContact CD1-CG 4.31Å; F82-K110 HydrophobicContact CD2-CB 4.45Å; F82-K110 HydrophobicContact CD2-CG 3.84Å; F82-K110 HydrophobicContact CE2-CG 4.5Å; F82-K110 HydrophobicContact CG-CB 4.09Å; F82-K110 HydrophobicContact CG-CD 4.32Å; F82-K110 HydrophobicContact CG-CG 3.72Å; T107-K110 PolarHBondContact O-N 2.79Å; T107-K110 WeakPolarHBondContact OG1-CB 3.41Å; K110-C112 VanDerWaalsContact C-N 3.34Å; K110-C112 PolarHBondContact O-N 3.03Å; K110-S113 PolarHBondContact O-N 3.31Å; K110-S113 PolarHBondContact O-OG 3.43Å; K110-V114 HydrophobicContact CD-CG2 4.02Å; K110-V114 HydrophobicContact CG-CG2 4.5Å; K110-V114 VanDerWaalsContact O-CG2 3.27Å; K110-V114 WeakPolarHBondContact O-CG2 3.29Å; K110-V114 PolarHBondContact O-N 3.27Å; K110-E210 IonicContact NZ-OE2 2.81Å
111	L	94.8	Very high	94.6	Very high	50 Å²	50	62 Å²	62	26%	0.262	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-43.7	176.7	-176.6	63.9	0	0	0	111.5	T107 R108 D109 S113 V115 I141 R214	T107-L111 PolarHBondContact O-N 2.81Å; R108-L111 PolarHBondContact O-N 2.68Å; D109-L111 PolarHBondContact O-N 2.8Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 3.15Å; L111-V115 WeakPolarHBondContact O-CG2 3.38Å; L111-V115 PolarHBondContact O-N 3.4Å; L111-I141 HydrophobicContact CD1-CD1 4.06Å; L111-R214 HydrophobicContact CD1-CG 4.24Å
112	C	94.9	Very high	94.7	Very high	79 Å²	79	62 Å²	62	53%	0.534	31%	0.308	S	S	.	.	H	α-helix	trans	-68.9	-29.1	178.6	-72.1	0	0	0	0	113	R108 D109 K110	R108-C112 WeakPolarHBondContact O-CB 3.43Å; R108-C112 PolarHBondContact O-N 3.4Å; R108-C112 PolarHBondContact O-SG 3.23Å; D109-C112 PolarHBondContact O-N 3.18Å; K110-C112 VanDerWaalsContact C-N 3.34Å; K110-C112 PolarHBondContact O-N 3.03Å
113	S	94.1	Very high	94.7	Very high	70 Å²	70	63.5 Å²	63.5	49%	0.49	32%	0.315	S	S	.	.	H	α-helix	trans	-76.2	-30.9	179.5	69.5	0	0	0	0	113.4	D109 K110 L111 V116	D109-S113 WeakPolarHBondContact O-CB 3.47Å; D109-S113 PolarHBondContact O-N 3.35Å; D109-S113 PolarHBondContact O-OG 2.89Å; K110-S113 PolarHBondContact O-N 3.31Å; K110-S113 PolarHBondContact O-OG 3.43Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 3.15Å; S113-V116 WeakPolarHBondContact O-CG2 3.22Å
114	V	93	Very high	94.8	Very high	10 Å²	10	63.8 Å²	63.8	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-81	-27.3	-179.3	-171.1	0	0	0	0	111.7	K110 V116 F143 E210 F212	K110-V114 HydrophobicContact CD-CG2 4.02Å; K110-V114 HydrophobicContact CG-CG2 4.5Å; K110-V114 VanDerWaalsContact O-CG2 3.27Å; K110-V114 WeakPolarHBondContact O-CG2 3.29Å; K110-V114 PolarHBondContact O-N 3.27Å; V114-V116 PolarHBondContact O-N 2.85Å; V114-V116 VanDerWaalsContact O-N 3.07Å; V114-F143 HydrophobicContact CB-CE2 4.02Å; V114-F143 HydrophobicContact CB-CZ 4.16Å; V114-F143 HydrophobicContact CG1-CD2 3.46Å; V114-F143 VanDerWaalsContact CG1-CD2 3.46Å; V114-F143 HydrophobicContact CG1-CE1 4.43Å; V114-F143 HydrophobicContact CG1-CE2 3.17Å; V114-F143 HydrophobicContact CG1-CG 4.24Å; V114-F143 HydrophobicContact CG1-CZ 3.7Å; V114-E210 HydrophobicContact CG1-CB 4.28Å; V114-F212 HydrophobicContact CG1-CE2 4.22Å; V114-F212 HydrophobicContact CG2-CE2 3.9Å
115	V	93	Very high	94.8	Very high	73 Å²	73	69.2 Å²	69.2	44%	0.442	34%	0.343	S	S	.	.			trans	-78.1	94.8	177.2	-179.5	0	0	0	0	110	L111 T121 F143	L111-V115 WeakPolarHBondContact O-CG2 3.38Å; L111-V115 PolarHBondContact O-N 3.4Å; V115-T121 HydrophobicContact CG1-CG2 4.43Å; V115-F143 HydrophobicContact CB-CE1 4.37Å; V115-F143 HydrophobicContact CG2-CE1 3.84Å; V115-F143 HydrophobicContact CG2-CZ 3.8Å
116	V	92	Very high	94.9	Very high	80 Å²	80	67 Å²	67	49%	0.485	33%	0.333	S	S	.	.			trans	-116.3	154.4	-179.4	-173	0	0	0	0	110.9	S113 V114	S113-V116 WeakPolarHBondContact O-CG2 3.22Å; V114-V116 PolarHBondContact O-N 2.85Å; V114-V116 VanDerWaalsContact O-N 3.07Å
117	K	92	Very high	95	Very high	167 Å²	167	69.9 Å²	69.9	73%	0.726	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	165.1	173.1	-68.6	-176.4	177.9	179.4	0	112	R119	K117-R119 PolarHBondContact O-N 2.75Å
118	W	91.9	Very high	95	Very high	145 Å²	145	69.6 Å²	69.6	55%	0.549	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	14.3	174.4	-46.7	114.1	0	0	0	115.9	H154 S155	W118-H154 HydrophobicContact CB-CB 4.16Å; W118-H154 HydrophobicContact CE3-CB 3.95Å; W118-H154 WeakPolarHBondContact O-CA 3.43Å; W118-S155 PolarHBondContact O-N 2.86Å
119	R	93.1	Very high	95	Very high	61 Å²	61	66.8 Å²	66.8	23%	0.23	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-131.7	149.6	174.5	-62	174.9	165	-172.9	-2.8	108.9	K117 T144 S146	K117-R119 PolarHBondContact O-N 2.75Å; R119-T144 WeakPolarHBondContact CA-OG1 3.45Å; R119-T144 WeakPolarHBondContact CD-O 3.37Å; R119-S146 VanDerWaalsContact NE-CB 3.3Å; R119-S146 PolarHBondContact NH2-OG 2.78Å
120	S	94.8	Very high	95	Very high	16 Å²	16	62.2 Å²	62.2	11%	0.112	32%	0.316	C	S	.	.			trans	-81.6	132.5	172.4	-63.5	0	0	0	0	109.7	F143 T144 S155 Y156 A157	S120-F143 WeakPolarHBondContact O-CA 3.39Å; S120-T144 PolarHBondContact N-OG1 2.81Å; S120-T144 PolarHBondContact O-N 2.85Å; S120-S155 PolarHBondContact N-O 2.84Å; S120-Y156 WeakPolarHBondContact OG-CA 3.15Å; S120-A157 PolarHBondContact OG-N 3.36Å; S120-A157 VanDerWaalsContact OG-N 3.08Å
121	T	95.8	Very high	95.1	Very high	65 Å²	65	63.7 Å²	63.7	40%	0.399	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.4	169.2	57.6	0	0	0	0	109.4	V115 F143	V115-T121 HydrophobicContact CG1-CG2 4.43Å; T121-F143 HydrophobicContact CG2-CD1 3.82Å; T121-F143 HydrophobicContact CG2-CE1 3.59Å
122	I	96.7	Very high	94.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	105.7	-179.6	-52.5	177.8	0	0	0	108	T142 I162 I165 R166 L169 L208	I122-T142 PolarHBondContact N-O 3.23Å; I122-T142 PolarHBondContact O-N 2.79Å; I122-I162 HydrophobicContact CD1-CG1 4.24Å; I122-I162 HydrophobicContact CG1-CG1 4.34Å; I122-I162 HydrophobicContact CG1-CG2 4.28Å; I122-I162 HydrophobicContact CG2-CG2 4.23Å; I122-I165 HydrophobicContact CD1-CB 4.35Å; I122-I165 HydrophobicContact CD1-CD1 3.7Å; I122-I165 HydrophobicContact CD1-CG2 4.01Å; I122-I165 HydrophobicContact CG2-CG2 3.99Å; I122-R166 HydrophobicContact CG2-CG 3.73Å; I122-L169 HydrophobicContact CG2-CD1 4.49Å; I122-L208 HydrophobicContact CD1-CD2 4.28Å
123	E	96.5	Very high	94.8	Very high	89 Å²	89	59.7 Å²	59.7	42%	0.416	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.4	176	-62.1	-173.1	176.9	0	0	110.9	I140 I141 R166	E123-I140 WeakPolarHBondContact CA-O 3.24Å; E123-I141 HydrophobicContact CG-CD1 4.16Å; E123-I141 HydrophobicContact CG-CG1 3.99Å; E123-R166 WeakPolarHBondContact O-CD 3.44Å; E123-R166 PolarHBondContact O-NE 3.41Å
124	A	97.1	Very high	94.8	Very high	9 Å²	9	57.2 Å²	57.2	7%	0.074	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	157.2	168.7	0	0	0	0	0	110.2	I140 R166 I170	A124-I140 HydrophobicContact CB-CG2 3.76Å; A124-I140 PolarHBondContact N-O 2.84Å; A124-I140 PolarHBondContact O-N 3.11Å; A124-R166 HydrophobicContact CB-CB 4.4Å; A124-R166 HydrophobicContact CB-CG 4.31Å; A124-I170 HydrophobicContact CB-CD1 4.23Å; A124-I170 HydrophobicContact CB-CG1 4.02Å
125	H	97.1	Very high	95	Very high	114 Å²	114	59.4 Å²	59.4	53%	0.528	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.6	171.6	65.6	-84.5	0	0	0	109.7	F138 F139	H125-F138 CarbonylContact C-O 3.58Å; H125-F138 WeakPolarHBondContact CA-O 3.4Å; H125-F138 WeakPolarHBondContact CB-O 3.29Å; H125-F139 HydrophobicContact CB-CD1 3.67Å; H125-F139 HydrophobicContact CB-CE1 3.79Å; H125-F139 HydrophobicContact CB-CG 4.32Å
126	V	97.3	Very high	95.2	Very high	8 Å²	8	56 Å²	56	5%	0.048	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	141.9	178.6	63.6	0	0	0	0	110.8	V128 R137 F138 I170 I173 Q174	V126-V128 HydrophobicContact CB-CG2 4.4Å; V126-V128 HydrophobicContact CG1-CG2 3.86Å; V126-V128 HydrophobicContact CG2-CG2 3.77Å; V126-R137 CarbonylContact O-C 3.48Å; V126-R137 WeakPolarHBondContact O-CA 3.34Å; V126-F138 HydrophobicContact CG1-CB 4.04Å; V126-F138 PolarHBondContact N-O 2.71Å; V126-F138 PolarHBondContact O-N 2.93Å; V126-I170 HydrophobicContact CB-CG1 4.4Å; V126-I170 HydrophobicContact CB-CG2 4.08Å; V126-I170 HydrophobicContact CG2-CG2 3.79Å; V126-I173 HydrophobicContact CG1-CB 3.97Å; V126-I173 HydrophobicContact CG1-CD1 4.33Å; V126-I173 HydrophobicContact CG1-CG2 3.51Å; V126-Q174 HydrophobicContact CG2-CG 3.63Å; V126-Q174 VanDerWaalsContact CG2-NE2 3.31Å
127	D	97.8	Very high	95.5	Very high	72 Å²	72	55.7 Å²	55.7	39%	0.385	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.2	170.5	-69	-11.9	0	0	0	108.4	L135 L136 R137	D127-L135 HydrophobicContact CB-CD2 4.12Å; D127-L136 WeakPolarHBondContact CA-O 3.41Å; D127-R137 VanDerWaalsContact OD1-CB 3.24Å; D127-R137 WeakPolarHBondContact OD1-CB 3.45Å; D127-R137 WeakPolarHBondContact OD1-CD 3.31Å; D127-R137 WeakPolarHBondContact OD1-CG 3.16Å; D127-R137 IonicContact OD1-CZ 3.52Å; D127-R137 IonicContact OD1-NE 3.4Å; D127-R137 PolarHBondContact OD1-NE 3.01Å; D127-R137 IonicContact OD1-NH2 2.82Å; D127-R137 PolarHBondContact OD1-NH2 2.86Å; D127-R137 IonicContact OD2-CZ 3.19Å; D127-R137 IonicContact OD2-NE 2.71Å; D127-R137 IonicContact OD2-NH2 3.93Å; D127-R137 PolarHBondContact OD2-NH2 2.79Å
128	V	96.7	Very high	95.7	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.055	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137	-179.4	-166.8	0	0	0	0	109.1	V126 L136 I173 Q174 V177	V126-V128 HydrophobicContact CB-CG2 4.4Å; V126-V128 HydrophobicContact CG1-CG2 3.86Å; V126-V128 HydrophobicContact CG2-CG2 3.77Å; V128-L136 PolarHBondContact N-O 3.31Å; V128-L136 PolarHBondContact O-N 2.87Å; V128-I173 HydrophobicContact CG2-CG2 4.36Å; V128-Q174 HydrophobicContact CG2-CG 3.9Å; V128-V177 HydrophobicContact CB-CB 4.26Å; V128-V177 HydrophobicContact CB-CG1 3.9Å; V128-V177 HydrophobicContact CG1-CB 3.83Å; V128-V177 HydrophobicContact CG1-CG1 3.71Å
129	K	96.5	Very high	96	Very high	140 Å²	140	42.3 Å²	42.3	61%	0.609	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95	129.6	172.8	-167.9	-175.6	174.2	-170.6	0	108.6	Y134	K129-Y134 CarbonylContact C-O 3.56Å; K129-Y134 WeakPolarHBondContact CA-O 3.27Å
130	T	95.9	Very high	96.2	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.031	20%	0.203	C	C	.	.			trans	-80.4	163.9	171	55.8	0	0	0	0	110.5	D132 G133 Y134 L136 V177 C180 V185	T130-D132 VanDerWaalsContact C-N 3.27Å; T130-D132 WeakPolarHBondContact CB-OD1 3.37Å; T130-D132 PolarHBondContact O-N 3.11Å; T130-D132 PolarHBondContact OG1-OD1 2.48Å; T130-G133 PolarHBondContact O-N 3.14Å; T130-G133 VanDerWaalsContact O-N 3.08Å; T130-Y134 PolarHBondContact N-O 3.21Å; T130-Y134 WeakPolarHBondContact OG1-CB 3.33Å; T130-Y134 PolarHBondContact OG1-N 2.97Å; T130-Y134 VanDerWaalsContact OG1-N 3.12Å; T130-Y134 PolarHBondContact OG1-O 3.37Å; T130-L136 HydrophobicContact CG2-CD1 3.78Å; T130-L136 HydrophobicContact CG2-CG 4.32Å; T130-V177 HydrophobicContact CG2-CG1 3.95Å; T130-C180 WeakPolarHBondContact CB-O 3.4Å; T130-V185 HydrophobicContact CG2-CG2 4.08Å
131	T	95.3	Very high	96.3	Very high	76 Å²	76	38.9 Å²	38.9	47%	0.466	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.4	175.9	43.9	0	0	0	0	113.1	G133 C180 D181	T131-G133 PolarHBondContact O-N 3.07Å; T131-C180 PolarHBondContact OG1-O 3.05Å; T131-C180 VanDerWaalsContact OG1-O 3.11Å; T131-D181 WeakPolarHBondContact CB-OD1 3.4Å; T131-D181 VanDerWaalsContact OG1-CA 3.29Å; T131-D181 WeakPolarHBondContact OG1-CA 3.27Å; T131-D181 PolarHBondContact OG1-N 2.66Å; T131-D181 PolarHBondContact OG1-OD1 3Å
132	D	91.4	Very high	96.3	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.123	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	5.3	178.9	60.6	-11.7	0	0	0	114.3	T130 Y134 L182 R228	T130-D132 VanDerWaalsContact C-N 3.27Å; T130-D132 WeakPolarHBondContact CB-OD1 3.37Å; T130-D132 PolarHBondContact O-N 3.11Å; T130-D132 PolarHBondContact OG1-OD1 2.48Å; D132-Y134 HydrophobicContact CB-CD2 4.44Å; D132-Y134 VanDerWaalsContact CG-CD2 3.48Å; D132-Y134 WeakPolarHBondContact OD1-CD2 2.96Å; D132-Y134 WeakPolarHBondContact OD2-CD2 3.41Å; D132-Y134 WeakPolarHBondContact OD2-CE2 3.13Å; D132-L182 WeakPolarHBondContact OD2-CB 3.44Å; D132-L182 PolarHBondContact OD2-N 3.2Å; D132-L182 VanDerWaalsContact OD2-N 3.08Å; D132-R228 VanDerWaalsContact CB-NH2 3.34Å
133	G	92.6	Very high	96.3	Very high	22 Å²	22	35.8 Å²	35.8	23%	0.227	18%	0.18	C	C	.	.	S	Bend	trans	87.8	9	169.4	0	0	0	0	0	115.5	T130 T131	T130-G133 PolarHBondContact O-N 3.14Å; T130-G133 VanDerWaalsContact O-N 3.08Å; T131-G133 PolarHBondContact O-N 3.07Å
134	Y	95.2	Very high	96.2	Very high	17 Å²	17	31.6 Å²	31.6	7%	0.067	16%	0.16	C	C	.	.			trans	-72.2	138.4	167.1	-66.9	-97.7	0	0	0	109.8	N100 K129 T130 D132 L182 V218 K220 K221 P222	N100-Y134 PolarHBondContact ND2-OH 2.67Å; K129-Y134 CarbonylContact C-O 3.56Å; K129-Y134 WeakPolarHBondContact CA-O 3.27Å; T130-Y134 PolarHBondContact N-O 3.21Å; T130-Y134 WeakPolarHBondContact OG1-CB 3.33Å; T130-Y134 PolarHBondContact OG1-N 2.97Å; T130-Y134 VanDerWaalsContact OG1-N 3.12Å; T130-Y134 PolarHBondContact OG1-O 3.37Å; D132-Y134 HydrophobicContact CB-CD2 4.44Å; D132-Y134 VanDerWaalsContact CG-CD2 3.48Å; D132-Y134 WeakPolarHBondContact OD1-CD2 2.96Å; D132-Y134 WeakPolarHBondContact OD2-CD2 3.41Å; D132-Y134 WeakPolarHBondContact OD2-CE2 3.13Å; Y134-L182 HydrophobicContact CD1-CD2 4.15Å; Y134-L182 HydrophobicContact CD2-CB 4.11Å; Y134-L182 HydrophobicContact CD2-CD2 4.02Å; Y134-L182 HydrophobicContact CE1-CD2 3.83Å; Y134-L182 HydrophobicContact CE2-CB 4.2Å; Y134-L182 HydrophobicContact CE2-CD2 3.71Å; Y134-L182 HydrophobicContact CG-CD2 4.23Å; Y134-V218 HydrophobicContact CD1-CG1 4.03Å; Y134-K220 WeakPolarHBondContact CA-O 3.43Å; Y134-K221 HydrophobicContact CD1-CB 4.39Å; Y134-K221 HydrophobicContact CD1-CG 4.06Å; Y134-K221 HydrophobicContact CE1-CB 4.18Å; Y134-K221 HydrophobicContact CE1-CD 4.38Å; Y134-K221 HydrophobicContact CE1-CG 3.88Å; Y134-P222 HydrophobicContact CD2-CG 4.06Å; Y134-P222 HydrophobicContact CE1-CG 4.32Å; Y134-P222 HydrophobicContact CE2-CG 3.7Å
135	L	96.8	Very high	96	Very high	57 Å²	57	32.3 Å²	32.3	30%	0.298	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.5	170.7	-156.2	165.9	0	0	0	107.4	D127 L219 K220	D127-L135 HydrophobicContact CB-CD2 4.12Å; L135-L219 HydrophobicContact CB-CB 4.45Å; L135-L219 HydrophobicContact CD2-CB 3.92Å; L135-L219 HydrophobicContact CD2-CD1 3.44Å; L135-L219 VanDerWaalsContact CD2-CD1 3.44Å; L135-L219 HydrophobicContact CD2-CG 4.17Å; L135-L219 WeakPolarHBondContact O-CB 3.35Å; L135-L219 PolarHBondContact O-N 3.48Å; L135-K220 HydrophobicContact CB-CB 3.82Å; L135-K220 PolarHBondContact N-O 3Å; L135-K220 PolarHBondContact O-N 3.41Å
136	L	97	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.8	-175.6	-57.9	-178.4	0	0	0	110.2	D127 V128 T130 F138 L182 V185 V216 K217 V218	D127-L136 WeakPolarHBondContact CA-O 3.41Å; V128-L136 PolarHBondContact N-O 3.31Å; V128-L136 PolarHBondContact O-N 2.87Å; T130-L136 HydrophobicContact CG2-CD1 3.78Å; T130-L136 HydrophobicContact CG2-CG 4.32Å; L136-F138 HydrophobicContact CB-CD2 4.16Å; L136-F138 HydrophobicContact CB-CE2 3.56Å; L136-F138 HydrophobicContact CB-CZ 4.4Å; L136-F138 HydrophobicContact CD1-CE2 3.94Å; L136-F138 HydrophobicContact CD1-CZ 4.04Å; L136-F138 HydrophobicContact CG-CE2 4.41Å; L136-L182 HydrophobicContact CD1-CD1 4.11Å; L136-L182 HydrophobicContact CD2-CD1 4.4Å; L136-V185 HydrophobicContact CD1-CG1 4.07Å; L136-V216 HydrophobicContact CB-CG1 4.45Å; L136-K217 CarbonylContact C-O 3.53Å; L136-K217 WeakPolarHBondContact CA-O 3.44Å; L136-V218 HydrophobicContact CD2-CB 4.16Å; L136-V218 HydrophobicContact CD2-CG1 4.39Å; L136-V218 HydrophobicContact CD2-CG2 3.53Å
137	R	97.7	Very high	94.6	Very high	75 Å²	75	33.2 Å²	33.2	28%	0.283	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.7	168.9	-177.8	171.4	-68.2	166.2	3.6	110	V126 D127 F139 V216 K217 L219	V126-R137 CarbonylContact O-C 3.48Å; V126-R137 WeakPolarHBondContact O-CA 3.34Å; D127-R137 VanDerWaalsContact OD1-CB 3.24Å; D127-R137 WeakPolarHBondContact OD1-CB 3.45Å; D127-R137 WeakPolarHBondContact OD1-CD 3.31Å; D127-R137 WeakPolarHBondContact OD1-CG 3.16Å; D127-R137 IonicContact OD1-CZ 3.52Å; D127-R137 IonicContact OD1-NE 3.4Å; D127-R137 PolarHBondContact OD1-NE 3.01Å; D127-R137 IonicContact OD1-NH2 2.82Å; D127-R137 PolarHBondContact OD1-NH2 2.86Å; D127-R137 IonicContact OD2-CZ 3.19Å; D127-R137 IonicContact OD2-NE 2.71Å; D127-R137 IonicContact OD2-NH2 3.93Å; D127-R137 PolarHBondContact OD2-NH2 2.79Å; R137-F139 HydrophobicContact CB-CE2 4.44Å; R137-F139 VanDerWaalsContact CD-CZ 3.43Å; R137-F139 HydrophobicContact CG-CD2 4.2Å; R137-F139 HydrophobicContact CG-CE2 3.57Å; R137-F139 HydrophobicContact CG-CZ 3.9Å; R137-V216 CarbonylContact O-C 3.51Å; R137-V216 WeakPolarHBondContact O-CA 3.49Å; R137-K217 HydrophobicContact CB-CB 4.32Å; R137-K217 PolarHBondContact N-O 3.08Å; R137-K217 PolarHBondContact O-N 3.44Å; R137-L219 HydrophobicContact CB-CD1 3.82Å; R137-L219 HydrophobicContact CB-CD2 4.4Å; R137-L219 HydrophobicContact CB-CG 4.03Å
138	F	97.4	Very high	93.7	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	140	173.8	-70.5	-102.2	0	0	0	109.8	H125 V126 L136 I173 V177 V185 L189 I194 I213 V216	H125-F138 CarbonylContact C-O 3.58Å; H125-F138 WeakPolarHBondContact CA-O 3.4Å; H125-F138 WeakPolarHBondContact CB-O 3.29Å; V126-F138 HydrophobicContact CG1-CB 4.04Å; V126-F138 PolarHBondContact N-O 2.71Å; V126-F138 PolarHBondContact O-N 2.93Å; L136-F138 HydrophobicContact CB-CD2 4.16Å; L136-F138 HydrophobicContact CB-CE2 3.56Å; L136-F138 HydrophobicContact CB-CZ 4.4Å; L136-F138 HydrophobicContact CD1-CE2 3.94Å; L136-F138 HydrophobicContact CD1-CZ 4.04Å; L136-F138 HydrophobicContact CG-CE2 4.41Å; F138-I173 HydrophobicContact CB-CG2 4.01Å; F138-I173 HydrophobicContact CD1-CG2 4.26Å; F138-I173 HydrophobicContact CD2-CG2 4.09Å; F138-I173 HydrophobicContact CG-CG2 3.86Å; F138-V177 HydrophobicContact CE1-CG2 4.22Å; F138-V177 HydrophobicContact CE2-CB 4.39Å; F138-V177 HydrophobicContact CE2-CG1 3.79Å; F138-V177 HydrophobicContact CE2-CG2 3.86Å; F138-V177 HydrophobicContact CZ-CG1 4.08Å; F138-V177 HydrophobicContact CZ-CG2 3.64Å; F138-V185 HydrophobicContact CZ-CG1 3.84Å; F138-L189 HydrophobicContact CE1-CD1 4.46Å; F138-L189 HydrophobicContact CE1-CD2 4.12Å; F138-I194 HydrophobicContact CE1-CD1 4.38Å; F138-I213 HydrophobicContact CD1-CD1 4.12Å; F138-I213 HydrophobicContact CD1-CG2 4.18Å; F138-I213 HydrophobicContact CE1-CD1 4.35Å; F138-V216 HydrophobicContact CD1-CG1 4.47Å; F138-V216 HydrophobicContact CD1-CG2 3.65Å; F138-V216 HydrophobicContact CE1-CG1 4.21Å; F138-V216 HydrophobicContact CE1-CG2 3.69Å; F138-V216 HydrophobicContact CE2-CG1 4.38Å; F138-V216 HydrophobicContact CG-CG2 4.39Å; F138-V216 HydrophobicContact CZ-CG1 4.15Å; F138-V216 HydrophobicContact CZ-CG2 4.44Å
139	F	97.9	Very high	93	Very high	29 Å²	29	46.8 Å²	46.8	13%	0.127	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.7	167.4	-66.5	-93.4	0	0	0	107.2	H125 R137 I213 R214 K215 K217	H125-F139 HydrophobicContact CB-CD1 3.67Å; H125-F139 HydrophobicContact CB-CE1 3.79Å; H125-F139 HydrophobicContact CB-CG 4.32Å; R137-F139 HydrophobicContact CB-CE2 4.44Å; R137-F139 VanDerWaalsContact CD-CZ 3.43Å; R137-F139 HydrophobicContact CG-CD2 4.2Å; R137-F139 HydrophobicContact CG-CE2 3.57Å; R137-F139 HydrophobicContact CG-CZ 3.9Å; F139-I213 CarbonylContact O-C 3.49Å; F139-R214 HydrophobicContact CB-CB 4.29Å; F139-R214 PolarHBondContact O-N 3.37Å; F139-K215 HydrophobicContact CB-CB 4.06Å; F139-K215 HydrophobicContact CD2-CB 3.81Å; F139-K215 HydrophobicContact CD2-CG 4.28Å; F139-K215 HydrophobicContact CG-CB 4.23Å; F139-K215 PolarHBondContact N-O 2.77Å; F139-K215 PolarHBondContact O-N 2.79Å; F139-K217 HydrophobicContact CE2-CD 4.01Å; F139-K217 HydrophobicContact CE2-CG 4.26Å
140	I	96.7	Very high	92.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.3	175.8	-169.7	162.3	0	0	0	109.1	E123 A124 T142 L169 I173 A198 T211	E123-I140 WeakPolarHBondContact CA-O 3.24Å; A124-I140 HydrophobicContact CB-CG2 3.76Å; A124-I140 PolarHBondContact N-O 2.84Å; A124-I140 PolarHBondContact O-N 3.11Å; I140-T142 HydrophobicContact CG1-CG2 4.22Å; I140-L169 HydrophobicContact CD1-CD2 4.05Å; I140-L169 HydrophobicContact CG2-CB 4.25Å; I140-L169 HydrophobicContact CG2-CD1 4.29Å; I140-I173 HydrophobicContact CB-CD1 3.94Å; I140-I173 HydrophobicContact CD1-CD1 3.89Å; I140-I173 HydrophobicContact CG2-CD1 3.88Å; I140-A198 HydrophobicContact CD1-CB 4.03Å; I140-T211 HydrophobicContact CD1-CG2 3.78Å; I140-T211 HydrophobicContact CG1-CG2 3.94Å
141	I	96.6	Very high	91.5	Very high	3 Å²	3	52 Å²	52	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132	174.6	-169.2	165.9	0	0	0	108.7	L111 E123 F143 T211 F212 R214	L111-I141 HydrophobicContact CD1-CD1 4.06Å; E123-I141 HydrophobicContact CG-CD1 4.16Å; E123-I141 HydrophobicContact CG-CG1 3.99Å; I141-F143 HydrophobicContact CD1-CE1 4.3Å; I141-F143 HydrophobicContact CD1-CE2 4.11Å; I141-F143 HydrophobicContact CD1-CZ 3.53Å; I141-F143 HydrophobicContact CG1-CE1 4.43Å; I141-F143 HydrophobicContact CG1-CE2 3.78Å; I141-F143 HydrophobicContact CG1-CZ 3.66Å; I141-F143 HydrophobicContact CG2-CE2 4.31Å; I141-T211 WeakPolarHBondContact O-CA 3.49Å; I141-F212 HydrophobicContact CG2-CB 4.26Å; I141-F212 PolarHBondContact N-O 3.34Å; I141-F212 PolarHBondContact O-N 3.18Å; I141-R214 HydrophobicContact CB-CB 4.42Å; I141-R214 HydrophobicContact CG2-CB 4.01Å
142	T	96.4	Very high	90.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.6	179.9	103.7	0	0	0	0	109.2	I122 I140 L169 T211	I122-T142 PolarHBondContact N-O 3.23Å; I122-T142 PolarHBondContact O-N 2.79Å; I140-T142 HydrophobicContact CG1-CG2 4.22Å; T142-L169 HydrophobicContact CG2-CD1 3.31Å; T142-L169 HydrophobicContact CG2-CD2 4.02Å; T142-L169 HydrophobicContact CG2-CG 4.31Å; T142-T211 HydrophobicContact CG2-CG2 3.61Å
143	F	95.9	Very high	90.6	Very high	1 Å²	1	63.5 Å²	63.5	0%	0.004	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149	-179	-57.2	-91.9	0	0	0	109.8	V114 V115 S120 T121 I141 G209 E210	V114-F143 HydrophobicContact CB-CE2 4.02Å; V114-F143 HydrophobicContact CB-CZ 4.16Å; V114-F143 HydrophobicContact CG1-CD2 3.46Å; V114-F143 VanDerWaalsContact CG1-CD2 3.46Å; V114-F143 HydrophobicContact CG1-CE1 4.43Å; V114-F143 HydrophobicContact CG1-CE2 3.17Å; V114-F143 HydrophobicContact CG1-CG 4.24Å; V114-F143 HydrophobicContact CG1-CZ 3.7Å; V115-F143 HydrophobicContact CB-CE1 4.37Å; V115-F143 HydrophobicContact CG2-CE1 3.84Å; V115-F143 HydrophobicContact CG2-CZ 3.8Å; S120-F143 WeakPolarHBondContact O-CA 3.39Å; T121-F143 HydrophobicContact CG2-CD1 3.82Å; T121-F143 HydrophobicContact CG2-CE1 3.59Å; I141-F143 HydrophobicContact CD1-CE1 4.3Å; I141-F143 HydrophobicContact CD1-CE2 4.11Å; I141-F143 HydrophobicContact CD1-CZ 3.53Å; I141-F143 HydrophobicContact CG1-CE1 4.43Å; I141-F143 HydrophobicContact CG1-CE2 3.78Å; I141-F143 HydrophobicContact CG1-CZ 3.66Å; I141-F143 HydrophobicContact CG2-CE2 4.31Å; F143-G209 PolarHBondContact O-N 3.03Å; F143-E210 WeakPolarHBondContact CD2-O 3.48Å; F143-E210 PolarHBondContact N-O 2.94Å
144	T	94.9	Very high	90.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-67.7	144.8	163.7	52.6	0	0	0	0	109.7	R119 S120 S155 A157	R119-T144 WeakPolarHBondContact CA-OG1 3.45Å; R119-T144 WeakPolarHBondContact CD-O 3.37Å; S120-T144 PolarHBondContact N-OG1 2.81Å; S120-T144 PolarHBondContact O-N 2.85Å; T144-S155 WeakPolarHBondContact CB-O 3.42Å; T144-S155 PolarHBondContact OG1-O 2.8Å; T144-A157 HydrophobicContact CG2-CB 3.93Å
145	P	92.3	Very high	90.3	Very high	24 Å²	24	66.7 Å²	66.7	16%	0.156	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-68.8	147.3	-178.5	29.2	-34.7	0	0	0	109.6	S155 P207	P145-S155 WeakPolarHBondContact O-CB 3.35Å; P145-S155 PolarHBondContact O-OG 2.89Å; P145-P207 WeakPolarHBondContact CD-O 3.42Å; P145-P207 HydrophobicContact CG-CB 3.79Å
146	S	84.5	Confident	90.1	Very high	65 Å²	65	69.6 Å²	69.6	46%	0.455	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-83.7	136.4	154.7	77.6	0	0	0	0	107.8	R119 P148	R119-S146 VanDerWaalsContact NE-CB 3.3Å; R119-S146 PolarHBondContact NH2-OG 2.78Å; S146-P148 WeakPolarHBondContact O-CD 3.39Å
147	V	81.5	Confident	90	Very high	77 Å²	77	70.1 Å²	70.1	47%	0.467	34%	0.342	S	S	.	.			trans	-105.3	101.6	-178.1	-175.4	0	0	0	0	105	R149 S150	V147-R149 PolarHBondContact O-N 3.12Å; V147-R149 VanDerWaalsContact O-N 3.12Å; V147-S150 PolarHBondContact O-N 3.12Å; V147-S150 VanDerWaalsContact O-N 3.07Å
148	P	78.9	Confident	89.9	Confident	127 Å²	127	72.6 Å²	72.6	83%	0.825	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18	-172.6	22.3	-31.9	0	0	0	113.6	S146	S146-P148 WeakPolarHBondContact O-CD 3.39Å
149	R	80.9	Confident	89.9	Confident	239 Å²	239	76.3 Å²	76.3	90%	0.902	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	10.6	177.4	-65.3	-177.7	-179.7	156.5	-0.6	113.7	V147	V147-R149 PolarHBondContact O-N 3.12Å; V147-R149 VanDerWaalsContact O-N 3.12Å
150	S	81.2	Confident	89.8	Confident	57 Å²	57	78.9 Å²	78.9	40%	0.399	40%	0.401	S	S	.	.			trans	-82.1	137.1	175	-171.2	0	0	0	0	109.7	V147 R152	V147-S150 PolarHBondContact O-N 3.12Å; V147-S150 VanDerWaalsContact O-N 3.07Å; S150-R152 PolarHBondContact O-N 3.1Å; S150-R152 PolarHBondContact OG-N 3.33Å
151	E	81.1	Confident	89.8	Confident	197 Å²	197	84 Å²	84	92%	0.921	42%	0.42	S	S	*	.	S	Bend	trans	-58.2	-25.9	168	-64	173.6	179.7	0	0	111.9
152	R	82.2	Confident	89.8	Confident	181 Å²	181	85.1 Å²	85.1	68%	0.683	43%	0.426	S	S	*	.			trans	-87.3	121.5	178.7	-62.2	-178.6	-176.5	173.2	1.1	110	S150 H154	S150-R152 PolarHBondContact O-N 3.1Å; S150-R152 PolarHBondContact OG-N 3.33Å; R152-H154 PolarHBondContact O-N 2.8Å
153	L	84.8	Confident	89.8	Confident	160 Å²	160	93.9 Å²	93.9	84%	0.838	46%	0.459	S	S	*	.	S	Bend	trans	-61.5	-26.9	173.1	-72	160.1	0	0	0	112.9
154	H	90.3	Very high	89.9	Confident	86 Å²	86	102.4 Å²	102.4	40%	0.398	49%	0.491	S	S	.	.			trans	-114	141.5	-174.8	63	59.9	0	0	0	113.7	W118 R152 Y156	W118-H154 HydrophobicContact CB-CB 4.16Å; W118-H154 HydrophobicContact CE3-CB 3.95Å; W118-H154 WeakPolarHBondContact O-CA 3.43Å; R152-H154 PolarHBondContact O-N 2.8Å; H154-Y156 HydrophobicContact CB-CD2 3.81Å; H154-Y156 HydrophobicContact CB-CE2 3.52Å; H154-Y156 HydrophobicContact CB-CG 4.48Å; H154-Y156 AromaticContact CG-CD2 3.71Å; H154-Y156 AromaticContact CG-CE2 3.67Å; H154-Y156 AromaticContact ND1-CD2 3.69Å
155	S	90.9	Very high	90	Very high	20 Å²	20	102.4 Å²	102.4	14%	0.14	49%	0.491	C	S	.	.	B	Isolated β-bridge	trans	-118.2	79.3	176.5	-176.2	0	0	0	0	108.4	W118 S120 T144 P145	W118-S155 PolarHBondContact O-N 2.86Å; S120-S155 PolarHBondContact N-O 2.84Å; T144-S155 WeakPolarHBondContact CB-O 3.42Å; T144-S155 PolarHBondContact OG1-O 2.8Å; P145-S155 WeakPolarHBondContact O-CB 3.35Å; P145-S155 PolarHBondContact O-OG 2.89Å
156	Y	93.7	Very high	90.2	Very high	118 Å²	118	106.1 Å²	106.1	46%	0.463	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-99.2	129.9	178.8	-63.2	-47.6	0	0	0	111.1	S120 H154	S120-Y156 WeakPolarHBondContact OG-CA 3.15Å; H154-Y156 HydrophobicContact CB-CD2 3.81Å; H154-Y156 HydrophobicContact CB-CE2 3.52Å; H154-Y156 HydrophobicContact CB-CG 4.48Å; H154-Y156 AromaticContact CG-CD2 3.71Å; H154-Y156 AromaticContact CG-CE2 3.67Å; H154-Y156 AromaticContact ND1-CD2 3.69Å
157	A	94.3	Very high	90.8	Very high	10 Å²	10	105.3 Å²	105.3	8%	0.083	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-84.7	138.5	171.2	0	0	0	0	0	110	S120 T144 I162	S120-A157 PolarHBondContact OG-N 3.36Å; S120-A157 VanDerWaalsContact OG-N 3.08Å; T144-A157 HydrophobicContact CG2-CB 3.93Å; A157-I162 HydrophobicContact CB-CD1 4.24Å; A157-I162 HydrophobicContact CB-CG1 3.71Å; A157-I162 WeakPolarHBondContact O-CD1 3.5Å
158	Q	96.1	Very high	91.5	Very high	128 Å²	128	106.2 Å²	106.2	60%	0.598	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-62	149.4	171.1	-70.2	179	-38.9	0	0	110.9	T160 R161 I162	Q158-T160 PolarHBondContact O-N 2.76Å; Q158-T160 VanDerWaalsContact O-N 3.17Å; Q158-R161 WeakPolarHBondContact O-CB 3.38Å; Q158-R161 PolarHBondContact O-N 2.93Å; Q158-I162 WeakPolarHBondContact O-CG1 3.49Å; Q158-I162 PolarHBondContact O-N 3.32Å
159	S	96.2	Very high	92.3	Very high	79 Å²	79	100.1 Å²	100.1	55%	0.552	46%	0.455	S	S	*	.	H	α-helix	trans	-55.7	-36.4	-177.6	60	0	0	0	0	113.3	I162 R163	S159-I162 PolarHBondContact O-N 3.35Å; S159-R163 WeakPolarHBondContact O-CG 3.3Å; S159-R163 PolarHBondContact O-N 2.97Å
160	T	97.1	Very high	93.1	Very high	82 Å²	82	91 Å²	91	50%	0.503	42%	0.423	S	S	.	.	H	α-helix	trans	-62.8	-44.6	175.3	52.8	0	0	0	0	112	Q158 R163 R164	Q158-T160 PolarHBondContact O-N 2.76Å; Q158-T160 VanDerWaalsContact O-N 3.17Å; T160-R163 PolarHBondContact O-N 3.08Å; T160-R164 PolarHBondContact O-N 3.41Å; T160-R164 VanDerWaalsContact O-N 3.15Å
161	R	95.7	Very high	93.8	Very high	109 Å²	109	91.3 Å²	91.3	41%	0.411	42%	0.421	S	S	.	.	H	α-helix	trans	-66	-42.5	175.5	-64.1	-171.6	-174.4	-157.5	4.4	111.2	Q158 R163 R164 I165 I205	Q158-R161 WeakPolarHBondContact O-CB 3.38Å; Q158-R161 PolarHBondContact O-N 2.93Å; R161-R163 VanDerWaalsContact C-N 3.32Å; R161-R163 PolarHBondContact O-N 3.08Å; R161-R164 PolarHBondContact O-N 3.15Å; R161-I165 WeakPolarHBondContact O-CD1 3.26Å; R161-I165 VanDerWaalsContact O-CG1 3.26Å; R161-I165 WeakPolarHBondContact O-CG1 3.27Å; R161-I165 PolarHBondContact O-N 3.27Å; R161-I205 HydrophobicContact CB-CG2 4.27Å; R161-I205 HydrophobicContact CG-CG2 4.48Å
162	I	96.4	Very high	94.5	Very high	28 Å²	28	82.4 Å²	82.4	14%	0.144	38%	0.379	C	S	.	.	H	α-helix	trans	-57.1	-45.2	176.4	-65.8	173.1	0	0	0	110.9	I122 A157 Q158 S159 I165 R166	I122-I162 HydrophobicContact CD1-CG1 4.24Å; I122-I162 HydrophobicContact CG1-CG1 4.34Å; I122-I162 HydrophobicContact CG1-CG2 4.28Å; I122-I162 HydrophobicContact CG2-CG2 4.23Å; A157-I162 HydrophobicContact CB-CD1 4.24Å; A157-I162 HydrophobicContact CB-CG1 3.71Å; A157-I162 WeakPolarHBondContact O-CD1 3.5Å; Q158-I162 WeakPolarHBondContact O-CG1 3.49Å; Q158-I162 PolarHBondContact O-N 3.32Å; S159-I162 PolarHBondContact O-N 3.35Å; I162-I165 PolarHBondContact O-N 3.5Å; I162-R166 WeakPolarHBondContact O-CG 3.42Å; I162-R166 PolarHBondContact O-N 3.28Å
163	R	97	Very high	95.2	Very high	184 Å²	184	73.9 Å²	73.9	69%	0.694	35%	0.347	S	S	*	.	H	α-helix	trans	-62.2	-44.3	176.9	-71.2	178.6	-171.3	178.1	2.6	112.2	S159 T160 R161 R166 A167	S159-R163 WeakPolarHBondContact O-CG 3.3Å; S159-R163 PolarHBondContact O-N 2.97Å; T160-R163 PolarHBondContact O-N 3.08Å; R161-R163 VanDerWaalsContact C-N 3.32Å; R161-R163 PolarHBondContact O-N 3.08Å; R163-R166 PolarHBondContact O-N 3.42Å; R163-A167 PolarHBondContact O-N 3.41Å; R163-A167 VanDerWaalsContact O-N 3.08Å
164	R	97.1	Very high	95.7	Very high	179 Å²	179	70.1 Å²	70.1	68%	0.675	33%	0.325	S	S	*	.	H	α-helix	trans	-63.5	-40.8	176.9	-72.6	-175.8	179.8	176.5	0.4	112.4	T160 R161 A167 R168 I205	T160-R164 PolarHBondContact O-N 3.41Å; T160-R164 VanDerWaalsContact O-N 3.15Å; R161-R164 PolarHBondContact O-N 3.15Å; R164-A167 PolarHBondContact O-N 3.08Å; R164-R168 PolarHBondContact O-N 3.11Å; R164-I205 HydrophobicContact CB-CD1 4.1Å; R164-I205 HydrophobicContact CB-CG2 4.17Å
165	I	97	Very high	96	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-46.2	175.8	-67.9	158.4	0	0	0	110	I122 R161 I162 A167 R168 L169 A202 I205 H206 L208	I122-I165 HydrophobicContact CD1-CB 4.35Å; I122-I165 HydrophobicContact CD1-CD1 3.7Å; I122-I165 HydrophobicContact CD1-CG2 4.01Å; I122-I165 HydrophobicContact CG2-CG2 3.99Å; R161-I165 WeakPolarHBondContact O-CD1 3.26Å; R161-I165 VanDerWaalsContact O-CG1 3.26Å; R161-I165 WeakPolarHBondContact O-CG1 3.27Å; R161-I165 PolarHBondContact O-N 3.27Å; I162-I165 PolarHBondContact O-N 3.5Å; I165-A167 PolarHBondContact O-N 2.98Å; I165-R168 PolarHBondContact O-N 3.36Å; I165-L169 HydrophobicContact CG2-CD1 3.82Å; I165-L169 HydrophobicContact CG2-CG 4.15Å; I165-L169 VanDerWaalsContact O-CG 3.24Å; I165-L169 WeakPolarHBondContact O-CG 3.26Å; I165-L169 PolarHBondContact O-N 3.4Å; I165-A202 HydrophobicContact CG2-CB 4.32Å; I165-I205 HydrophobicContact CD1-CG2 4.41Å; I165-I205 HydrophobicContact CG1-CB 4.09Å; I165-I205 HydrophobicContact CG1-CD1 4.32Å; I165-I205 HydrophobicContact CG1-CG2 3.93Å; I165-H206 HydrophobicContact CD1-CB 3.73Å; I165-L208 HydrophobicContact CD1-CD2 4.32Å; I165-L208 HydrophobicContact CG2-CD1 4.21Å; I165-L208 HydrophobicContact CG2-CD2 4.41Å
166	R	97	Very high	96.1	Very high	102 Å²	102	72.2 Å²	72.2	39%	0.385	33%	0.333	S	S	.	.	H	α-helix	trans	-57.4	-46.4	177	-74.1	179.6	175.6	154.3	5	112.5	I122 E123 A124 I162 R163 L169 I170	I122-R166 HydrophobicContact CG2-CG 3.73Å; E123-R166 WeakPolarHBondContact O-CD 3.44Å; E123-R166 PolarHBondContact O-NE 3.41Å; A124-R166 HydrophobicContact CB-CB 4.4Å; A124-R166 HydrophobicContact CB-CG 4.31Å; I162-R166 WeakPolarHBondContact O-CG 3.42Å; I162-R166 PolarHBondContact O-N 3.28Å; R163-R166 PolarHBondContact O-N 3.42Å; R166-L169 PolarHBondContact O-N 2.95Å; R166-I170 VanDerWaalsContact O-CG1 3.27Å; R166-I170 WeakPolarHBondContact O-CG1 3.4Å; R166-I170 PolarHBondContact O-N 3.33Å; R166-I170 VanDerWaalsContact O-N 3.11Å
167	A	96.7	Very high	96.2	Very high	49 Å²	49	66.6 Å²	66.6	41%	0.405	31%	0.311	S	S	.	.	H	α-helix	trans	-58.7	-48.5	176.2	0	0	0	0	0	110.9	R163 R164 I165 L169 I170 D171	R163-A167 PolarHBondContact O-N 3.41Å; R163-A167 VanDerWaalsContact O-N 3.08Å; R164-A167 PolarHBondContact O-N 3.08Å; I165-A167 PolarHBondContact O-N 2.98Å; A167-L169 PolarHBondContact O-N 3.16Å; A167-I170 PolarHBondContact O-N 3.23Å; A167-I170 VanDerWaalsContact O-N 3.16Å; A167-D171 VanDerWaalsContact O-CG 3.23Å; A167-D171 PolarHBondContact O-N 3.35Å
168	R	96.2	Very high	96.3	Very high	95 Å²	95	68.9 Å²	68.9	36%	0.358	33%	0.327	S	S	.	.	H	α-helix	trans	-63.4	-38.1	-178.9	-171.1	56.3	174.1	163.8	3.9	113.7	R164 I165 I172 A202 I205	R164-R168 PolarHBondContact O-N 3.11Å; I165-R168 PolarHBondContact O-N 3.36Å; R168-I172 HydrophobicContact CG-CD1 4.28Å; R168-I172 WeakPolarHBondContact O-CG1 3.39Å; R168-I172 PolarHBondContact O-N 3.07Å; R168-A202 HydrophobicContact CG-CB 4.32Å; R168-I205 HydrophobicContact CB-CD1 4.11Å; R168-I205 HydrophobicContact CG-CD1 4.5Å
169	L	96.3	Very high	96.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.9	-41.2	175.7	-66.7	169.2	0	0	0	111.5	I122 I140 T142 I165 R166 A167 I173 A198 A202	I122-L169 HydrophobicContact CG2-CD1 4.49Å; I140-L169 HydrophobicContact CD1-CD2 4.05Å; I140-L169 HydrophobicContact CG2-CB 4.25Å; I140-L169 HydrophobicContact CG2-CD1 4.29Å; T142-L169 HydrophobicContact CG2-CD1 3.31Å; T142-L169 HydrophobicContact CG2-CD2 4.02Å; T142-L169 HydrophobicContact CG2-CG 4.31Å; I165-L169 HydrophobicContact CG2-CD1 3.82Å; I165-L169 HydrophobicContact CG2-CG 4.15Å; I165-L169 VanDerWaalsContact O-CG 3.24Å; I165-L169 WeakPolarHBondContact O-CG 3.26Å; I165-L169 PolarHBondContact O-N 3.4Å; R166-L169 PolarHBondContact O-N 2.95Å; A167-L169 PolarHBondContact O-N 3.16Å; L169-I173 WeakPolarHBondContact O-CD1 3.27Å; L169-I173 VanDerWaalsContact O-CG1 3.3Å; L169-I173 WeakPolarHBondContact O-CG1 3.41Å; L169-I173 PolarHBondContact O-N 3.44Å; L169-A198 HydrophobicContact CD2-CB 3.76Å; L169-A202 HydrophobicContact CD2-CB 4.13Å
170	I	97	Very high	96.1	Very high	46 Å²	46	64 Å²	64	24%	0.236	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-46.9	177.9	-71.1	169.3	0	0	0	110.2	A124 V126 R166 A167 I172 I173 Q174	A124-I170 HydrophobicContact CB-CD1 4.23Å; A124-I170 HydrophobicContact CB-CG1 4.02Å; V126-I170 HydrophobicContact CB-CG1 4.4Å; V126-I170 HydrophobicContact CB-CG2 4.08Å; V126-I170 HydrophobicContact CG2-CG2 3.79Å; R166-I170 VanDerWaalsContact O-CG1 3.27Å; R166-I170 WeakPolarHBondContact O-CG1 3.4Å; R166-I170 PolarHBondContact O-N 3.33Å; R166-I170 VanDerWaalsContact O-N 3.11Å; A167-I170 PolarHBondContact O-N 3.23Å; A167-I170 VanDerWaalsContact O-N 3.16Å; I170-I172 VanDerWaalsContact C-N 3.32Å; I170-I172 PolarHBondContact O-N 3.19Å; I170-I173 PolarHBondContact O-N 3.21Å; I170-Q174 HydrophobicContact CG2-CG 4.43Å; I170-Q174 WeakPolarHBondContact O-CG 3.42Å; I170-Q174 PolarHBondContact O-N 3.43Å
171	D	96.6	Very high	96	Very high	65 Å²	65	62.7 Å²	62.7	35%	0.348	29%	0.292	S	S	.	.	H	α-helix	trans	-57.5	-44.5	-178.6	-65	-16.1	0	0	0	111.9	A167 Q174 Q175	A167-D171 VanDerWaalsContact O-CG 3.23Å; A167-D171 PolarHBondContact O-N 3.35Å; D171-Q174 PolarHBondContact O-N 3.28Å; D171-Q175 WeakPolarHBondContact O-CB 3.44Å; D171-Q175 VanDerWaalsContact O-CG 3.26Å; D171-Q175 WeakPolarHBondContact O-CG 3.41Å; D171-Q175 PolarHBondContact O-N 3.04Å
172	I	95.8	Very high	95.8	Very high	10 Å²	10	57.6 Å²	57.6	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-69.1	-43.2	-177.4	-67.9	171.3	0	0	0	111.2	R168 I170 Q174 Q175 E176 A198 A201	R168-I172 HydrophobicContact CG-CD1 4.28Å; R168-I172 WeakPolarHBondContact O-CG1 3.39Å; R168-I172 PolarHBondContact O-N 3.07Å; I170-I172 VanDerWaalsContact C-N 3.32Å; I170-I172 PolarHBondContact O-N 3.19Å; I172-Q174 VanDerWaalsContact C-N 3.28Å; I172-Q174 PolarHBondContact O-N 2.94Å; I172-Q175 PolarHBondContact O-N 3.38Å; I172-E176 PolarHBondContact O-N 3.39Å; I172-A198 HydrophobicContact CB-CB 4.44Å; I172-A198 HydrophobicContact CG2-CB 4.12Å; I172-A201 HydrophobicContact CD1-CB 3.19Å
173	I	96.4	Very high	95.7	Very high	1 Å²	1	61 Å²	61	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-40.6	175.7	-64.5	167.5	0	0	0	110.1	V126 V128 F138 I140 L169 I170 V177 I194	V126-I173 HydrophobicContact CG1-CB 3.97Å; V126-I173 HydrophobicContact CG1-CD1 4.33Å; V126-I173 HydrophobicContact CG1-CG2 3.51Å; V128-I173 HydrophobicContact CG2-CG2 4.36Å; F138-I173 HydrophobicContact CB-CG2 4.01Å; F138-I173 HydrophobicContact CD1-CG2 4.26Å; F138-I173 HydrophobicContact CD2-CG2 4.09Å; F138-I173 HydrophobicContact CG-CG2 3.86Å; I140-I173 HydrophobicContact CB-CD1 3.94Å; I140-I173 HydrophobicContact CD1-CD1 3.89Å; I140-I173 HydrophobicContact CG2-CD1 3.88Å; L169-I173 WeakPolarHBondContact O-CD1 3.27Å; L169-I173 VanDerWaalsContact O-CG1 3.3Å; L169-I173 WeakPolarHBondContact O-CG1 3.41Å; L169-I173 PolarHBondContact O-N 3.44Å; I170-I173 PolarHBondContact O-N 3.21Å; I173-V177 HydrophobicContact CG2-CG2 4.13Å; I173-V177 VanDerWaalsContact O-CB 3.27Å; I173-V177 WeakPolarHBondContact O-CB 3.38Å; I173-V177 VanDerWaalsContact O-CG2 3.26Å; I173-V177 WeakPolarHBondContact O-CG2 3.47Å; I173-V177 PolarHBondContact O-N 3.38Å; I173-I194 HydrophobicContact CG1-CG2 3.96Å
174	Q	96.4	Very high	95.5	Very high	81 Å²	81	57 Å²	57	38%	0.379	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-46.8	176.2	-75.1	179.2	-16.6	0	0	111.9	V126 V128 I170 D171 I172 E176 S178	V126-Q174 HydrophobicContact CG2-CG 3.63Å; V126-Q174 VanDerWaalsContact CG2-NE2 3.31Å; V128-Q174 HydrophobicContact CG2-CG 3.9Å; I170-Q174 HydrophobicContact CG2-CG 4.43Å; I170-Q174 WeakPolarHBondContact O-CG 3.42Å; I170-Q174 PolarHBondContact O-N 3.43Å; D171-Q174 PolarHBondContact O-N 3.28Å; I172-Q174 VanDerWaalsContact C-N 3.28Å; I172-Q174 PolarHBondContact O-N 2.94Å; Q174-E176 PolarHBondContact O-N 3.34Å; Q174-S178 WeakPolarHBondContact O-CB 3.38Å; Q174-S178 PolarHBondContact O-N 2.96Å; Q174-S178 PolarHBondContact O-OG 3.04Å
175	Q	95.5	Very high	95.4	Very high	118 Å²	118	48.4 Å²	48.4	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-61.3	-45.2	-179.7	-74.4	174.3	-9.6	0	0	112.1	D171 I172 T179	D171-Q175 WeakPolarHBondContact O-CB 3.44Å; D171-Q175 VanDerWaalsContact O-CG 3.26Å; D171-Q175 WeakPolarHBondContact O-CG 3.41Å; D171-Q175 PolarHBondContact O-N 3.04Å; I172-Q175 PolarHBondContact O-N 3.38Å; Q175-T179 PolarHBondContact O-OG1 3.43Å; Q175-T179 VanDerWaalsContact O-OG1 3.08Å
176	E	94.3	Very high	95.3	Very high	32 Å²	32	48.4 Å²	48.4	15%	0.15	24%	0.244	C	C	.	.	H	α-helix	trans	-75.9	-31	-176.7	-75.9	-172.6	-156	0	0	114.7	I172 Q174 T179 C180 K188 I194	I172-E176 PolarHBondContact O-N 3.39Å; Q174-E176 PolarHBondContact O-N 3.34Å; E176-T179 PolarHBondContact O-OG1 3.33Å; E176-C180 PolarHBondContact O-SG 3.47Å; E176-C180 VanDerWaalsContact O-SG 3.41Å; E176-K188 PolarHBondContact O-NZ 2.98Å; E176-I194 VanDerWaalsContact OE2-CA 3.3Å; E176-I194 WeakPolarHBondContact OE2-CA 3.48Å; E176-I194 WeakPolarHBondContact OE2-CB 3.33Å; E176-I194 VanDerWaalsContact OE2-CG1 3.3Å; E176-I194 WeakPolarHBondContact OE2-CG1 3.48Å
177	V	95.8	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-91.6	-33.1	-175.5	175.2	0	0	0	0	111.8	V128 T130 F138 I173 T179 C180 V185 I194	V128-V177 HydrophobicContact CB-CB 4.26Å; V128-V177 HydrophobicContact CB-CG1 3.9Å; V128-V177 HydrophobicContact CG1-CB 3.83Å; V128-V177 HydrophobicContact CG1-CG1 3.71Å; T130-V177 HydrophobicContact CG2-CG1 3.95Å; F138-V177 HydrophobicContact CE1-CG2 4.22Å; F138-V177 HydrophobicContact CE2-CB 4.39Å; F138-V177 HydrophobicContact CE2-CG1 3.79Å; F138-V177 HydrophobicContact CE2-CG2 3.86Å; F138-V177 HydrophobicContact CZ-CG1 4.08Å; F138-V177 HydrophobicContact CZ-CG2 3.64Å; I173-V177 HydrophobicContact CG2-CG2 4.13Å; I173-V177 VanDerWaalsContact O-CB 3.27Å; I173-V177 WeakPolarHBondContact O-CB 3.38Å; I173-V177 VanDerWaalsContact O-CG2 3.26Å; I173-V177 WeakPolarHBondContact O-CG2 3.47Å; I173-V177 PolarHBondContact O-N 3.38Å; V177-T179 PolarHBondContact O-N 3.25Å; V177-C180 PolarHBondContact O-N 3.07Å; V177-V185 HydrophobicContact CG1-CG2 4.07Å; V177-I194 HydrophobicContact CG2-CD1 4.17Å
178	S	94.6	Very high	95	Very high	59 Å²	59	47.2 Å²	47.2	41%	0.413	24%	0.235	S	C	.	.	H	α-helix	trans	-67.9	-23.4	-178.8	59.2	0	0	0	0	113.7	Q174	Q174-S178 WeakPolarHBondContact O-CB 3.38Å; Q174-S178 PolarHBondContact O-N 2.96Å; Q174-S178 PolarHBondContact O-OG 3.04Å
179	T	94.9	Very high	94.9	Very high	97 Å²	97	42.7 Å²	42.7	60%	0.595	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-11.9	179.3	49.8	0	0	0	0	113.4	Q175 E176 V177	Q175-T179 PolarHBondContact O-OG1 3.43Å; Q175-T179 VanDerWaalsContact O-OG1 3.08Å; E176-T179 PolarHBondContact O-OG1 3.33Å; V177-T179 PolarHBondContact O-N 3.25Å
180	C	94.6	Very high	94.7	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.041	22%	0.224	C	C	.	.	S	Bend	trans	-112.4	147.7	-170.2	-76.7	0	0	0	0	113.1	T130 T131 E176 V177 E184 V185 K188	T130-C180 WeakPolarHBondContact CB-O 3.4Å; T131-C180 PolarHBondContact OG1-O 3.05Å; T131-C180 VanDerWaalsContact OG1-O 3.11Å; E176-C180 PolarHBondContact O-SG 3.47Å; E176-C180 VanDerWaalsContact O-SG 3.41Å; V177-C180 PolarHBondContact O-N 3.07Å; C180-E184 HydrophobicContact CB-CB 3.92Å; C180-E184 PolarHBondContact SG-OE2 3.45Å; C180-V185 HydrophobicContact CB-CG2 3.8Å; C180-K188 PolarHBondContact SG-NZ 2.97Å
181	D	93.8	Very high	94.4	Very high	56 Å²	56	44.6 Å²	44.6	30%	0.299	23%	0.233	S	C	.	.			trans	-72.9	163	166.4	-79.3	17.6	0	0	0	111.3	T131 K183 E184 V185 R228	T131-D181 WeakPolarHBondContact CB-OD1 3.4Å; T131-D181 VanDerWaalsContact OG1-CA 3.29Å; T131-D181 WeakPolarHBondContact OG1-CA 3.27Å; T131-D181 PolarHBondContact OG1-N 2.66Å; T131-D181 PolarHBondContact OG1-OD1 3Å; D181-K183 PolarHBondContact O-N 3.06Å; D181-K183 VanDerWaalsContact O-N 3.14Å; D181-E184 PolarHBondContact O-N 3.36Å; D181-E184 VanDerWaalsContact O-N 3.07Å; D181-V185 WeakPolarHBondContact O-CG2 3.32Å; D181-V185 PolarHBondContact O-N 2.82Å; D181-R228 IonicContact OD1-NH2 3.45Å; D181-R228 IonicContact OD2-NH2 3.54Å; D181-R228 PolarHBondContact OD2-NH2 3.07Å
182	L	93	Very high	94.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-54.9	-36.4	177.6	-172.9	65.1	0	0	0	113.1	F101 D132 Y134 L136 V185 V186	F101-L182 HydrophobicContact CB-CD2 4.35Å; F101-L182 HydrophobicContact CD1-CD1 3.87Å; F101-L182 HydrophobicContact CE1-CD1 4.46Å; D132-L182 WeakPolarHBondContact OD2-CB 3.44Å; D132-L182 PolarHBondContact OD2-N 3.2Å; D132-L182 VanDerWaalsContact OD2-N 3.08Å; Y134-L182 HydrophobicContact CD1-CD2 4.15Å; Y134-L182 HydrophobicContact CD2-CB 4.11Å; Y134-L182 HydrophobicContact CD2-CD2 4.02Å; Y134-L182 HydrophobicContact CE1-CD2 3.83Å; Y134-L182 HydrophobicContact CE2-CB 4.2Å; Y134-L182 HydrophobicContact CE2-CD2 3.71Å; Y134-L182 HydrophobicContact CG-CD2 4.23Å; L136-L182 HydrophobicContact CD1-CD1 4.11Å; L136-L182 HydrophobicContact CD2-CD1 4.4Å; L182-V185 PolarHBondContact O-N 2.98Å; L182-V186 WeakPolarHBondContact O-CG2 3.48Å; L182-V186 PolarHBondContact O-N 2.82Å
183	K	92.9	Very high	94	Very high	99 Å²	99	42.7 Å²	42.7	43%	0.43	23%	0.225	S	C	.	.	H	α-helix	trans	-60.8	-47.2	177.2	-179.8	177.2	178.4	-178.6	0	112.3	M38 D181 V186 N187 L232	M38-K183 VanDerWaalsContact CE-CA 3.44Å; M38-K183 HydrophobicContact CE-CB 3.74Å; M38-K183 HydrophobicContact CE-CG 3.94Å; M38-K183 HydrophobicContact CG-CG 4.13Å; D181-K183 PolarHBondContact O-N 3.06Å; D181-K183 VanDerWaalsContact O-N 3.14Å; K183-V186 PolarHBondContact O-N 3.28Å; K183-N187 VanDerWaalsContact O-CG 3.28Å; K183-N187 PolarHBondContact O-N 2.82Å; K183-N187 PolarHBondContact O-ND2 2.86Å; K183-L232 HydrophobicContact CB-CD2 4.06Å; K183-L232 HydrophobicContact CD-CD2 4.37Å; K183-L232 HydrophobicContact CG-CD2 4.45Å
184	E	94.1	Very high	94	Very high	100 Å²	100	42.7 Å²	42.7	47%	0.467	23%	0.225	S	C	.	.	H	α-helix	trans	-70.1	-39.2	179.8	-64.7	-176.3	171.1	0	0	111.4	C180 D181 V186 N187 K188	C180-E184 HydrophobicContact CB-CB 3.92Å; C180-E184 PolarHBondContact SG-OE2 3.45Å; D181-E184 PolarHBondContact O-N 3.36Å; D181-E184 VanDerWaalsContact O-N 3.07Å; E184-V186 VanDerWaalsContact C-N 3.34Å; E184-V186 PolarHBondContact O-N 3.18Å; E184-N187 PolarHBondContact O-N 2.96Å; E184-K188 WeakPolarHBondContact O-CG 3.31Å; E184-K188 PolarHBondContact O-N 3.45Å
185	V	95.3	Very high	93.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-46.8	175	172.2	0	0	0	0	110.8	T130 L136 F138 V177 C180 D181 L182 K188 L189	T130-V185 HydrophobicContact CG2-CG2 4.08Å; L136-V185 HydrophobicContact CD1-CG1 4.07Å; F138-V185 HydrophobicContact CZ-CG1 3.84Å; V177-V185 HydrophobicContact CG1-CG2 4.07Å; C180-V185 HydrophobicContact CB-CG2 3.8Å; D181-V185 WeakPolarHBondContact O-CG2 3.32Å; D181-V185 PolarHBondContact O-N 2.82Å; L182-V185 PolarHBondContact O-N 2.98Å; V185-K188 PolarHBondContact O-N 3.14Å; V185-L189 HydrophobicContact CG1-CD1 4.01Å; V185-L189 HydrophobicContact CG1-CG 4.44Å; V185-L189 VanDerWaalsContact O-CG 3.27Å; V185-L189 WeakPolarHBondContact O-CG 3.24Å; V185-L189 PolarHBondContact O-N 2.99Å
186	V	93.8	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-40.3	177.9	173.8	0	0	0	0	111.4	M38 F39 F85 F101 L182 K183 E184 K188 L189 I190	M38-V186 HydrophobicContact CB-CG1 4.26Å; M38-V186 HydrophobicContact CG-CG1 4.5Å; M38-V186 HydrophobicContact SD-CB 3.45Å; M38-V186 WeakPolarHBondContact SD-CB 3.44Å; M38-V186 HydrophobicContact SD-CG1 3.49Å; M38-V186 WeakPolarHBondContact SD-CG1 3.36Å; M38-V186 HydrophobicContact SD-CG2 3.94Å; F39-V186 HydrophobicContact CZ-CG1 3.98Å; F85-V186 HydrophobicContact CE1-CG1 4.19Å; F101-V186 HydrophobicContact CB-CG2 3.95Å; F101-V186 HydrophobicContact CD1-CG2 4.1Å; F101-V186 HydrophobicContact CD2-CG2 3.69Å; F101-V186 HydrophobicContact CE2-CG2 4.15Å; F101-V186 HydrophobicContact CG-CG2 3.64Å; L182-V186 WeakPolarHBondContact O-CG2 3.48Å; L182-V186 PolarHBondContact O-N 2.82Å; K183-V186 PolarHBondContact O-N 3.28Å; E184-V186 VanDerWaalsContact C-N 3.34Å; E184-V186 PolarHBondContact O-N 3.18Å; V186-K188 VanDerWaalsContact C-N 3.26Å; V186-K188 PolarHBondContact O-N 3.35Å; V186-L189 WeakPolarHBondContact O-CB 3.05Å; V186-L189 PolarHBondContact O-N 3.49Å; V186-I190 HydrophobicContact CG1-CD1 4.41Å; V186-I190 WeakPolarHBondContact O-CG1 3.41Å; V186-I190 PolarHBondContact O-N 2.93Å
187	N	93.5	Very high	93.9	Very high	71 Å²	71	39.3 Å²	39.3	38%	0.38	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-34.1	175.5	-72.7	-16.1	0	0	0	112.6	K183 E184 P191	K183-N187 VanDerWaalsContact O-CG 3.28Å; K183-N187 PolarHBondContact O-N 2.82Å; K183-N187 PolarHBondContact O-ND2 2.86Å; E184-N187 PolarHBondContact O-N 2.96Å; N187-P191 WeakPolarHBondContact O-CD 3.3Å
188	K	94.1	Very high	93.8	Very high	54 Å²	54	39.3 Å²	39.3	24%	0.235	21%	0.211	C	C	.	.	H	α-helix	trans	-73.2	-31.5	172.1	-69.6	179.8	-176.8	-178.8	0	112.8	E176 C180 E184 V185 V186 P191 D192 S193 I194	E176-K188 PolarHBondContact O-NZ 2.98Å; C180-K188 PolarHBondContact SG-NZ 2.97Å; E184-K188 WeakPolarHBondContact O-CG 3.31Å; E184-K188 PolarHBondContact O-N 3.45Å; V185-K188 PolarHBondContact O-N 3.14Å; V186-K188 VanDerWaalsContact C-N 3.26Å; V186-K188 PolarHBondContact O-N 3.35Å; K188-P191 WeakPolarHBondContact O-CD 3.42Å; K188-D192 CarbonylContact O-C 3.56Å; K188-D192 WeakPolarHBondContact O-CA 3.26Å; K188-D192 PolarHBondContact O-N 2.89Å; K188-D192 VanDerWaalsContact O-N 3.08Å; K188-S193 WeakPolarHBondContact CB-OG 3.3Å; K188-S193 PolarHBondContact O-N 3.11Å; K188-S193 PolarHBondContact O-OG 2.85Å; K188-I194 HydrophobicContact CB-CD1 4.08Å; K188-I194 HydrophobicContact CB-CG1 3.85Å; K188-I194 HydrophobicContact CD-CG1 4.33Å
189	L	93.9	Very high	93.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-73.4	-25.9	178.3	-75.6	173.3	0	0	0	114	R83 F101 L104 F138 V185 V186 D192 I194 I213 V216	R83-L189 PolarHBondContact NH1-O 3.44Å; F101-L189 HydrophobicContact CZ-CD1 4.09Å; L104-L189 HydrophobicContact CD1-CB 4.15Å; L104-L189 HydrophobicContact CD1-CD1 4.45Å; L104-L189 HydrophobicContact CD1-CD2 4.4Å; F138-L189 HydrophobicContact CE1-CD1 4.46Å; F138-L189 HydrophobicContact CE1-CD2 4.12Å; V185-L189 HydrophobicContact CG1-CD1 4.01Å; V185-L189 HydrophobicContact CG1-CG 4.44Å; V185-L189 VanDerWaalsContact O-CG 3.27Å; V185-L189 WeakPolarHBondContact O-CG 3.24Å; V185-L189 PolarHBondContact O-N 2.99Å; V186-L189 WeakPolarHBondContact O-CB 3.05Å; V186-L189 PolarHBondContact O-N 3.49Å; L189-D192 PolarHBondContact O-N 3.48Å; L189-I194 HydrophobicContact CD2-CD1 4.36Å; L189-I213 HydrophobicContact CD2-CB 4.43Å; L189-I213 HydrophobicContact CD2-CD1 3.44Å; L189-I213 VanDerWaalsContact CD2-CD1 3.44Å; L189-I213 HydrophobicContact CD2-CG2 4.21Å; L189-V216 HydrophobicContact CD1-CG2 4.1Å; L189-V216 HydrophobicContact CD2-CG2 4.15Å
190	I	91.7	Very high	93.9	Very high	22 Å²	22	43.4 Å²	43.4	11%	0.113	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-52.5	178.7	-71.2	166.8	0	0	0	111.5	F39 L71 N78 F85 V186	F39-I190 HydrophobicContact CD1-CD1 4.08Å; F39-I190 HydrophobicContact CE1-CD1 3.95Å; F39-I190 HydrophobicContact CE1-CG1 4.13Å; L71-I190 HydrophobicContact CD1-CG1 4.4Å; L71-I190 HydrophobicContact CD1-CG2 4.26Å; L71-I190 HydrophobicContact CD2-CG2 4.37Å; N78-I190 VanDerWaalsContact ND2-CG2 3.27Å; N78-I190 WeakPolarHBondContact ND2-CG2 3.24Å; F85-I190 HydrophobicContact CZ-CG1 4.15Å; V186-I190 HydrophobicContact CG1-CD1 4.41Å; V186-I190 WeakPolarHBondContact O-CG1 3.41Å; V186-I190 PolarHBondContact O-N 2.93Å
191	P	90.7	Very high	93.9	Very high	65 Å²	65	44.8 Å²	44.8	42%	0.422	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	0.7	172.6	36.8	-36.3	0	0	0	114	N187 K188 S193	N187-P191 WeakPolarHBondContact O-CD 3.3Å; K188-P191 WeakPolarHBondContact O-CD 3.42Å; P191-S193 PolarHBondContact O-N 3.49Å
192	D	91.5	Very high	94	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	34.9	-177.4	-141.3	26.6	0	0	0	116	R83 K188 L189 I194 A195 Q196	R83-D192 VanDerWaalsContact CZ-CB 3.4Å; R83-D192 VanDerWaalsContact CZ-CG 3.41Å; R83-D192 IonicContact CZ-OD1 2.64Å; R83-D192 IonicContact CZ-OD2 2.91Å; R83-D192 IonicContact NH1-OD1 3.5Å; R83-D192 PolarHBondContact NH1-OD1 3.3Å; R83-D192 IonicContact NH1-OD2 3.34Å; R83-D192 PolarHBondContact NH1-OD2 3.04Å; R83-D192 IonicContact NH2-OD1 3.27Å; R83-D192 IonicContact NH2-OD2 3.75Å; R83-D192 PolarHBondContact NH2-OD2 2.87Å; K188-D192 CarbonylContact O-C 3.56Å; K188-D192 WeakPolarHBondContact O-CA 3.26Å; K188-D192 PolarHBondContact O-N 2.89Å; K188-D192 VanDerWaalsContact O-N 3.08Å; L189-D192 PolarHBondContact O-N 3.48Å; D192-I194 PolarHBondContact O-N 3.37Å; D192-I194 VanDerWaalsContact O-N 3.14Å; D192-A195 HydrophobicContact CB-CB 4.32Å; D192-A195 PolarHBondContact O-N 3.2Å; D192-A195 VanDerWaalsContact OD2-CB 3.22Å; D192-A195 WeakPolarHBondContact OD2-CB 3.16Å; D192-Q196 PolarHBondContact O-N 3.27Å
193	S	93.7	Very high	94	Very high	31 Å²	31	44.4 Å²	44.4	22%	0.217	22%	0.224	C	C	.	.	H	α-helix	trans	-54.6	-38.9	-177.2	62.8	0	0	0	0	112	K188 P191 A195 Q196 D197	K188-S193 WeakPolarHBondContact CB-OG 3.3Å; K188-S193 PolarHBondContact O-N 3.11Å; K188-S193 PolarHBondContact O-OG 2.85Å; P191-S193 PolarHBondContact O-N 3.49Å; S193-A195 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 3.06Å; S193-Q196 PolarHBondContact O-N 3.32Å; S193-Q196 VanDerWaalsContact O-N 3.13Å; S193-D197 PolarHBondContact O-N 2.75Å
194	I	95.4	Very high	93.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.4	-45.5	177.9	-45.3	-176	0	0	0	111.4	F138 I173 E176 V177 K188 L189 D192 A198 I213	F138-I194 HydrophobicContact CE1-CD1 4.38Å; I173-I194 HydrophobicContact CG1-CG2 3.96Å; E176-I194 VanDerWaalsContact OE2-CA 3.3Å; E176-I194 WeakPolarHBondContact OE2-CA 3.48Å; E176-I194 WeakPolarHBondContact OE2-CB 3.33Å; E176-I194 VanDerWaalsContact OE2-CG1 3.3Å; E176-I194 WeakPolarHBondContact OE2-CG1 3.48Å; V177-I194 HydrophobicContact CG2-CD1 4.17Å; K188-I194 HydrophobicContact CB-CD1 4.08Å; K188-I194 HydrophobicContact CB-CG1 3.85Å; K188-I194 HydrophobicContact CD-CG1 4.33Å; L189-I194 HydrophobicContact CD2-CD1 4.36Å; D192-I194 PolarHBondContact O-N 3.37Å; D192-I194 VanDerWaalsContact O-N 3.14Å; I194-A198 WeakPolarHBondContact O-CB 3.5Å; I194-A198 PolarHBondContact O-N 3.29Å; I194-I213 HydrophobicContact CB-CD1 3.84Å; I194-I213 HydrophobicContact CD1-CD1 4.19Å; I194-I213 HydrophobicContact CG1-CD1 4.43Å; I194-I213 HydrophobicContact CG2-CD1 4.12Å
195	A	94.6	Very high	93.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.8	-37.3	-179.2	0	0	0	0	0	111.4	D192 S193 R199 T211 I213	D192-A195 HydrophobicContact CB-CB 4.32Å; D192-A195 PolarHBondContact O-N 3.2Å; D192-A195 VanDerWaalsContact OD2-CB 3.22Å; D192-A195 WeakPolarHBondContact OD2-CB 3.16Å; S193-A195 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 3.06Å; A195-R199 WeakPolarHBondContact O-CB 3.33Å; A195-R199 PolarHBondContact O-N 2.84Å; A195-T211 HydrophobicContact CB-CG2 4.26Å; A195-I213 HydrophobicContact CB-CG1 4.29Å
196	Q	94.6	Very high	93.8	Very high	100 Å²	100	49.3 Å²	49.3	47%	0.467	24%	0.239	S	C	.	.	H	α-helix	trans	-67.4	-42	178.4	-63.8	-176	7.2	0	0	111.7	D192 S193 R199 K200	D192-Q196 PolarHBondContact O-N 3.27Å; S193-Q196 PolarHBondContact O-N 3.32Å; S193-Q196 VanDerWaalsContact O-N 3.13Å; Q196-R199 WeakPolarHBondContact O-CB 3.39Å; Q196-R199 PolarHBondContact O-N 2.85Å; Q196-K200 WeakPolarHBondContact O-CG 3.36Å; Q196-K200 PolarHBondContact O-N 2.89Å
197	D	95	Very high	93.8	Very high	61 Å²	61	52.9 Å²	52.9	33%	0.326	26%	0.262	S	S	.	.	H	α-helix	trans	-73.8	-38.2	-179.9	-67.4	-22.5	0	0	0	111.2	S193 R199 K200 A201	S193-D197 PolarHBondContact O-N 2.75Å; D197-R199 VanDerWaalsContact C-N 3.31Å; D197-R199 PolarHBondContact O-N 3.38Å; D197-K200 PolarHBondContact O-N 3.11Å; D197-K200 IonicContact OD1-NZ 2.88Å; D197-K200 PolarHBondContact OD1-NZ 2.84Å; D197-A201 WeakPolarHBondContact O-CB 3.22Å; D197-A201 PolarHBondContact O-N 3Å
198	A	95.2	Very high	93.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-41.9	169.6	0	0	0	0	0	112.1	I140 L169 I172 I194 A202	I140-A198 HydrophobicContact CD1-CB 4.03Å; L169-A198 HydrophobicContact CD2-CB 3.76Å; I172-A198 HydrophobicContact CB-CB 4.44Å; I172-A198 HydrophobicContact CG2-CB 4.12Å; I194-A198 WeakPolarHBondContact O-CB 3.5Å; I194-A198 PolarHBondContact O-N 3.29Å; A198-A202 VanDerWaalsContact O-CB 3.24Å; A198-A202 WeakPolarHBondContact O-CB 2.98Å; A198-A202 PolarHBondContact O-N 3.31Å
199	R	95.1	Very high	93.7	Very high	106 Å²	106	47.6 Å²	47.6	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-52.3	175	179.8	-169.4	172.9	179.6	3.1	111.8	A195 Q196 D197 A201 A202 S203 L208 G209 T211	A195-R199 WeakPolarHBondContact O-CB 3.33Å; A195-R199 PolarHBondContact O-N 2.84Å; Q196-R199 WeakPolarHBondContact O-CB 3.39Å; Q196-R199 PolarHBondContact O-N 2.85Å; D197-R199 VanDerWaalsContact C-N 3.31Å; D197-R199 PolarHBondContact O-N 3.38Å; R199-A201 VanDerWaalsContact C-N 3.34Å; R199-A201 PolarHBondContact O-N 3.19Å; R199-A202 PolarHBondContact O-N 3.43Å; R199-S203 WeakPolarHBondContact O-CB 3.49Å; R199-S203 PolarHBondContact O-N 3.17Å; R199-L208 HydrophobicContact CG-CB 4.06Å; R199-L208 PolarHBondContact NE-O 3.43Å; R199-L208 VanDerWaalsContact NE-O 3.14Å; R199-L208 PolarHBondContact NH2-O 2.99Å; R199-L208 VanDerWaalsContact NH2-O 3.1Å; R199-G209 VanDerWaalsContact CD-O 3.24Å; R199-G209 WeakPolarHBondContact CD-O 3.49Å; R199-G209 PolarHBondContact NE-O 2.97Å; R199-T211 HydrophobicContact CB-CG2 4.4Å
200	K	95.4	Very high	93.6	Very high	136 Å²	136	51.5 Å²	51.5	59%	0.591	26%	0.257	S	S	*	.	H	α-helix	trans	-57.6	-47.9	-177.2	-71.8	168.8	-162.7	155.2	0	110.9	Q196 D197 S203	Q196-K200 WeakPolarHBondContact O-CG 3.36Å; Q196-K200 PolarHBondContact O-N 2.89Å; D197-K200 PolarHBondContact O-N 3.11Å; D197-K200 IonicContact OD1-NZ 2.88Å; D197-K200 PolarHBondContact OD1-NZ 2.84Å; K200-S203 WeakPolarHBondContact O-CB 3.4Å; K200-S203 PolarHBondContact O-N 3.19Å
201	A	94.9	Very high	93.8	Very high	35 Å²	35	51 Å²	51	29%	0.289	26%	0.255	S	S	.	.	H	α-helix	trans	-71.4	-33.6	-177.6	0	0	0	0	0	113.5	I172 D197 R199 S203	I172-A201 HydrophobicContact CD1-CB 3.19Å; D197-A201 WeakPolarHBondContact O-CB 3.22Å; D197-A201 PolarHBondContact O-N 3Å; R199-A201 VanDerWaalsContact C-N 3.34Å; R199-A201 PolarHBondContact O-N 3.19Å; A201-S203 VanDerWaalsContact C-N 3.35Å
202	A	95	Very high	94	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-78.9	-18.8	175.6	0	0	0	0	0	113.1	I165 R168 L169 A198 R199 W204 I205 L208	I165-A202 HydrophobicContact CG2-CB 4.32Å; R168-A202 HydrophobicContact CG-CB 4.32Å; L169-A202 HydrophobicContact CD2-CB 4.13Å; A198-A202 VanDerWaalsContact O-CB 3.24Å; A198-A202 WeakPolarHBondContact O-CB 2.98Å; A198-A202 PolarHBondContact O-N 3.31Å; R199-A202 PolarHBondContact O-N 3.43Å; A202-W204 PolarHBondContact O-N 2.91Å; A202-W204 VanDerWaalsContact O-N 3.13Å; A202-I205 PolarHBondContact O-N 3.15Å; A202-L208 HydrophobicContact CB-CD1 3.54Å
203	S	93.4	Very high	94.2	Very high	48 Å²	48	48.8 Å²	48.8	34%	0.336	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.3	179.8	-166.4	0	0	0	0	113.8	R199 K200 A201 I205 H206	R199-S203 WeakPolarHBondContact O-CB 3.49Å; R199-S203 PolarHBondContact O-N 3.17Å; K200-S203 WeakPolarHBondContact O-CB 3.4Å; K200-S203 PolarHBondContact O-N 3.19Å; A201-S203 VanDerWaalsContact C-N 3.35Å; S203-I205 VanDerWaalsContact C-N 3.31Å; S203-I205 PolarHBondContact O-N 2.96Å; S203-H206 CarbonylContact C-O 3.52Å; S203-H206 WeakPolarHBondContact CA-O 3.27Å; S203-H206 CarbonylContact O-C 3.33Å
204	W	91.9	Very high	94.3	Very high	236 Å²	236	50.4 Å²	50.4	89%	0.894	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-34.2	173.4	175.4	-103.7	0	0	0	112.9	A202	A202-W204 PolarHBondContact O-N 2.91Å; A202-W204 VanDerWaalsContact O-N 3.13Å
205	I	94.3	Very high	94.4	Very high	43 Å²	43	52.5 Å²	52.5	22%	0.221	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-43.9	-177.7	-60.4	162.8	0	0	0	110.6	R161 R164 I165 R168 A202 S203	R161-I205 HydrophobicContact CB-CG2 4.27Å; R161-I205 HydrophobicContact CG-CG2 4.48Å; R164-I205 HydrophobicContact CB-CD1 4.1Å; R164-I205 HydrophobicContact CB-CG2 4.17Å; I165-I205 HydrophobicContact CD1-CG2 4.41Å; I165-I205 HydrophobicContact CG1-CB 4.09Å; I165-I205 HydrophobicContact CG1-CD1 4.32Å; I165-I205 HydrophobicContact CG1-CG2 3.93Å; R168-I205 HydrophobicContact CB-CD1 4.11Å; R168-I205 HydrophobicContact CG-CD1 4.5Å; A202-I205 PolarHBondContact O-N 3.15Å; S203-I205 VanDerWaalsContact C-N 3.31Å; S203-I205 PolarHBondContact O-N 2.96Å
206	H	92.7	Very high	94.5	Very high	23 Å²	23	52.6 Å²	52.6	11%	0.106	25%	0.249	C	C	.	.	S	Bend	trans	-155.6	138.2	176.5	-168.8	-62.7	0	0	0	107	I165 S203 L208	I165-H206 HydrophobicContact CD1-CB 3.73Å; S203-H206 CarbonylContact C-O 3.52Å; S203-H206 WeakPolarHBondContact CA-O 3.27Å; S203-H206 CarbonylContact O-C 3.33Å; H206-L208 PolarHBondContact O-N 2.86Å
207	P	93.2	Very high	94.7	Very high	75 Å²	75	51.8 Å²	51.8	49%	0.487	24%	0.244	S	C	.	.			trans	-49.5	131.9	171.3	-28.8	35.3	0	0	0	111.2	P145	P145-P207 WeakPolarHBondContact CD-O 3.42Å; P145-P207 HydrophobicContact CG-CB 3.79Å
208	L	93.7	Very high	94.7	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	23%	0.234	C	C	.	.			trans	-116.8	137.9	178.1	-66.3	-179.2	0	0	0	111	I122 I165 R199 A202 H206	I122-L208 HydrophobicContact CD1-CD2 4.28Å; I165-L208 HydrophobicContact CD1-CD2 4.32Å; I165-L208 HydrophobicContact CG2-CD1 4.21Å; I165-L208 HydrophobicContact CG2-CD2 4.41Å; R199-L208 HydrophobicContact CG-CB 4.06Å; R199-L208 PolarHBondContact NE-O 3.43Å; R199-L208 VanDerWaalsContact NE-O 3.14Å; R199-L208 PolarHBondContact NH2-O 2.99Å; R199-L208 VanDerWaalsContact NH2-O 3.1Å; A202-L208 HydrophobicContact CB-CD1 3.54Å; H206-L208 PolarHBondContact O-N 2.86Å
209	G	91.6	Very high	94.8	Very high	8 Å²	8	53.4 Å²	53.4	8%	0.082	25%	0.253	C	S	.	.			trans	-84.1	-140.8	171.9	0	0	0	0	0	111.5	F143 R199 T211	F143-G209 PolarHBondContact O-N 3.03Å; R199-G209 VanDerWaalsContact CD-O 3.24Å; R199-G209 WeakPolarHBondContact CD-O 3.49Å; R199-G209 PolarHBondContact NE-O 2.97Å; G209-T211 PolarHBondContact O-N 3.13Å
210	E	91.9	Very high	94.8	Very high	83 Å²	83	55.2 Å²	55.2	39%	0.388	26%	0.264	S	S	.	.			trans	-59.1	136.9	177.7	-67.9	176.4	-147.7	0	0	111.5	K110 V114 F143 F212	K110-E210 IonicContact NZ-OE2 2.81Å; V114-E210 HydrophobicContact CG1-CB 4.28Å; F143-E210 WeakPolarHBondContact CD2-O 3.48Å; F143-E210 PolarHBondContact N-O 2.94Å; E210-F212 HydrophobicContact CB-CD2 4.45Å; E210-F212 HydrophobicContact CB-CE2 3.67Å; E210-F212 HydrophobicContact CB-CZ 4.11Å; E210-F212 HydrophobicContact CG-CE2 4.36Å; E210-F212 HydrophobicContact CG-CZ 4.41Å; E210-F212 WeakPolarHBondContact OE2-CE2 3.35Å; E210-F212 WeakPolarHBondContact OE2-CZ 3.27Å
211	T	95	Very high	94.7	Very high	11 Å²	11	51.3 Å²	51.3	7%	0.067	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.2	179.3	-59.5	0	0	0	0	107.4	I140 I141 T142 A195 R199 G209	I140-T211 HydrophobicContact CD1-CG2 3.78Å; I140-T211 HydrophobicContact CG1-CG2 3.94Å; I141-T211 WeakPolarHBondContact O-CA 3.49Å; T142-T211 HydrophobicContact CG2-CG2 3.61Å; A195-T211 HydrophobicContact CB-CG2 4.26Å; R199-T211 HydrophobicContact CB-CG2 4.4Å; G209-T211 PolarHBondContact O-N 3.13Å
212	F	95.5	Very high	94.5	Very high	23 Å²	23	52.1 Å²	52.1	10%	0.101	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.4	-177.6	-61.2	-72.7	0	0	0	110.9	F82 L106 V114 I141 E210 R214	F82-F212 HydrophobicContact CE2-CE1 4.36Å; F82-F212 HydrophobicContact CZ-CE1 4.32Å; L106-F212 HydrophobicContact CD1-CB 3.94Å; L106-F212 HydrophobicContact CD1-CG 4.48Å; V114-F212 HydrophobicContact CG1-CE2 4.22Å; V114-F212 HydrophobicContact CG2-CE2 3.9Å; I141-F212 HydrophobicContact CG2-CB 4.26Å; I141-F212 PolarHBondContact N-O 3.34Å; I141-F212 PolarHBondContact O-N 3.18Å; E210-F212 HydrophobicContact CB-CD2 4.45Å; E210-F212 HydrophobicContact CB-CE2 3.67Å; E210-F212 HydrophobicContact CB-CZ 4.11Å; E210-F212 HydrophobicContact CG-CE2 4.36Å; E210-F212 HydrophobicContact CG-CZ 4.41Å; E210-F212 WeakPolarHBondContact OE2-CE2 3.35Å; E210-F212 WeakPolarHBondContact OE2-CZ 3.27Å; F212-R214 PolarHBondContact O-N 3.01Å
213	I	96.6	Very high	94.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	102.7	160.3	-67	171	0	0	0	108	L104 F138 F139 L189 I194 A195 V216	L104-I213 HydrophobicContact CD2-CG2 4.21Å; F138-I213 HydrophobicContact CD1-CD1 4.12Å; F138-I213 HydrophobicContact CD1-CG2 4.18Å; F138-I213 HydrophobicContact CE1-CD1 4.35Å; F139-I213 CarbonylContact O-C 3.49Å; L189-I213 HydrophobicContact CD2-CB 4.43Å; L189-I213 HydrophobicContact CD2-CD1 3.44Å; L189-I213 VanDerWaalsContact CD2-CD1 3.44Å; L189-I213 HydrophobicContact CD2-CG2 4.21Å; I194-I213 HydrophobicContact CB-CD1 3.84Å; I194-I213 HydrophobicContact CD1-CD1 4.19Å; I194-I213 HydrophobicContact CG1-CD1 4.43Å; I194-I213 HydrophobicContact CG2-CD1 4.12Å; A195-I213 HydrophobicContact CB-CG1 4.29Å; I213-V216 HydrophobicContact CG2-CG2 3.5Å; I213-V216 VanDerWaalsContact CG2-CG2 3.5Å
214	R	95.8	Very high	93.6	Very high	65 Å²	65	64.2 Å²	64.2	25%	0.245	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	-43	-178.7	-178.2	173.7	67.6	99.2	-9.6	112.1	L106 L111 F139 I141 F212	L106-R214 HydrophobicContact CD1-CB 4.37Å; L106-R214 PolarHBondContact N-O 3.14Å; L106-R214 VanDerWaalsContact N-O 3.1Å; L111-R214 HydrophobicContact CD1-CG 4.24Å; F139-R214 HydrophobicContact CB-CB 4.29Å; F139-R214 PolarHBondContact O-N 3.37Å; I141-R214 HydrophobicContact CB-CB 4.42Å; I141-R214 HydrophobicContact CG2-CB 4.01Å; F212-R214 PolarHBondContact O-N 3.01Å
215	K	97	Very high	93.3	Very high	43 Å²	43	57.5 Å²	57.5	19%	0.187	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	140.6	-173.8	-167.2	166.4	-167.7	150.7	0	111	L104 E105 F139 K217	L104-K215 CarbonylContact O-C 3.45Å; L104-K215 VanDerWaalsContact O-CA 3.24Å; L104-K215 WeakPolarHBondContact O-CA 3.12Å; L104-K215 WeakPolarHBondContact O-CG 2.92Å; E105-K215 IonicContact OE1-NZ 2.74Å; E105-K215 PolarHBondContact OE1-NZ 2.88Å; E105-K215 IonicContact OE2-NZ 2.76Å; F139-K215 HydrophobicContact CB-CB 4.06Å; F139-K215 HydrophobicContact CD2-CB 3.81Å; F139-K215 HydrophobicContact CD2-CG 4.28Å; F139-K215 HydrophobicContact CG-CB 4.23Å; F139-K215 PolarHBondContact N-O 2.77Å; F139-K215 PolarHBondContact O-N 2.79Å; K215-K217 HydrophobicContact CD-CG 4.42Å; K215-K217 HydrophobicContact CG-CG 4.25Å
216	V	97.5	Very high	92.9	Very high	3 Å²	3	60 Å²	60	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.1	165.7	-175.1	0	0	0	0	107.8	F101 G103 L104 L136 R137 F138 L189 I213	F101-V216 HydrophobicContact CE1-CG1 4.14Å; F101-V216 HydrophobicContact CZ-CB 4.26Å; F101-V216 HydrophobicContact CZ-CG1 4.13Å; G103-V216 WeakPolarHBondContact CA-O 3.48Å; L104-V216 HydrophobicContact CB-CB 4.02Å; L104-V216 HydrophobicContact CB-CG2 4.1Å; L104-V216 HydrophobicContact CD2-CG2 4.43Å; L104-V216 PolarHBondContact N-O 3.04Å; L104-V216 PolarHBondContact O-N 3.46Å; L136-V216 HydrophobicContact CB-CG1 4.45Å; R137-V216 CarbonylContact O-C 3.51Å; R137-V216 WeakPolarHBondContact O-CA 3.49Å; F138-V216 HydrophobicContact CD1-CG1 4.47Å; F138-V216 HydrophobicContact CD1-CG2 3.65Å; F138-V216 HydrophobicContact CE1-CG1 4.21Å; F138-V216 HydrophobicContact CE1-CG2 3.69Å; F138-V216 HydrophobicContact CE2-CG1 4.38Å; F138-V216 HydrophobicContact CG-CG2 4.39Å; F138-V216 HydrophobicContact CZ-CG1 4.15Å; F138-V216 HydrophobicContact CZ-CG2 4.44Å; L189-V216 HydrophobicContact CD1-CG2 4.1Å; L189-V216 HydrophobicContact CD2-CG2 4.15Å; I213-V216 HydrophobicContact CG2-CG2 3.5Å; I213-V216 VanDerWaalsContact CG2-CG2 3.5Å
217	K	97.7	Very high	92.7	Very high	82 Å²	82	61.5 Å²	61.5	36%	0.357	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.2	173.9	-58.6	-177.6	179.2	-178.2	0	109.4	L136 R137 F139 K215 L219	L136-K217 CarbonylContact C-O 3.53Å; L136-K217 WeakPolarHBondContact CA-O 3.44Å; R137-K217 HydrophobicContact CB-CB 4.32Å; R137-K217 PolarHBondContact N-O 3.08Å; R137-K217 PolarHBondContact O-N 3.44Å; F139-K217 HydrophobicContact CE2-CD 4.01Å; F139-K217 HydrophobicContact CE2-CG 4.26Å; K215-K217 HydrophobicContact CD-CG 4.42Å; K215-K217 HydrophobicContact CG-CG 4.25Å; K217-L219 PolarHBondContact O-N 2.76Å
218	V	96.3	Very high	92.5	Very high	20 Å²	20	62.3 Å²	62.3	12%	0.121	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.8	162.9	-179.4	0	0	0	0	108	F101 H102 Y134 L136 K221	F101-V218 HydrophobicContact CD1-CG2 4.18Å; F101-V218 HydrophobicContact CE1-CG2 4.28Å; H102-V218 WeakPolarHBondContact O-CG2 3.49Å; H102-V218 PolarHBondContact O-N 2.95Å; Y134-V218 HydrophobicContact CD1-CG1 4.03Å; L136-V218 HydrophobicContact CD2-CB 4.16Å; L136-V218 HydrophobicContact CD2-CG1 4.39Å; L136-V218 HydrophobicContact CD2-CG2 3.53Å; V218-K221 HydrophobicContact CG1-CD 4.44Å; V218-K221 HydrophobicContact CG1-CG 3.57Å
219	L	95.9	Very high	92.3	Very high	76 Å²	76	62.4 Å²	62.4	40%	0.398	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-44.1	177.8	-65.6	178.3	0	0	0	111.4	L135 R137 K217	L135-L219 HydrophobicContact CB-CB 4.45Å; L135-L219 HydrophobicContact CD2-CB 3.92Å; L135-L219 HydrophobicContact CD2-CD1 3.44Å; L135-L219 VanDerWaalsContact CD2-CD1 3.44Å; L135-L219 HydrophobicContact CD2-CG 4.17Å; L135-L219 WeakPolarHBondContact O-CB 3.35Å; L135-L219 PolarHBondContact O-N 3.48Å; R137-L219 HydrophobicContact CB-CD1 3.82Å; R137-L219 HydrophobicContact CB-CD2 4.4Å; R137-L219 HydrophobicContact CB-CG 4.03Å; K217-L219 PolarHBondContact O-N 2.76Å
220	K	95.4	Very high	92.2	Very high	143 Å²	143	64.7 Å²	64.7	62%	0.622	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.3	178.6	-168.3	172.9	-178.5	175.9	0	109.5	Y134 L135	Y134-K220 WeakPolarHBondContact CA-O 3.43Å; L135-K220 HydrophobicContact CB-CB 3.82Å; L135-K220 PolarHBondContact N-O 3Å; L135-K220 PolarHBondContact O-N 3.41Å
221	K	92.6	Very high	92.1	Very high	55 Å²	55	67 Å²	67	24%	0.239	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-101.6	145.4	170.9	-66.1	-171.7	164.5	-162.4	0	109.6	E90 Y134 V218	E90-K221 IonicContact OE1-NZ 2.73Å; E90-K221 PolarHBondContact OE1-NZ 2.91Å; Y134-K221 HydrophobicContact CD1-CB 4.39Å; Y134-K221 HydrophobicContact CD1-CG 4.06Å; Y134-K221 HydrophobicContact CE1-CB 4.18Å; Y134-K221 HydrophobicContact CE1-CD 4.38Å; Y134-K221 HydrophobicContact CE1-CG 3.88Å; V218-K221 HydrophobicContact CG1-CD 4.44Å; V218-K221 HydrophobicContact CG1-CG 3.57Å
222	P	92.5	Very high	91.9	Very high	51 Å²	51	67.3 Å²	67.3	33%	0.331	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-62.3	169.5	163.6	30.1	-34.2	0	0	0	110	Y134 A224	Y134-P222 HydrophobicContact CD2-CG 4.06Å; Y134-P222 HydrophobicContact CE1-CG 4.32Å; Y134-P222 HydrophobicContact CE2-CG 3.7Å; P222-A224 PolarHBondContact O-N 2.89Å
223	K	88.6	Confident	91.6	Very high	202 Å²	202	67.2 Å²	67.2	88%	0.878	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-58.2	139.6	173.6	-71.9	-177.4	178.7	177.9	0	108.9	D225	K223-D225 PolarHBondContact O-N 3.22Å; K223-D225 VanDerWaalsContact O-N 3.08Å
224	A	80.4	Confident	90.6	Very high	101 Å²	101	69 Å²	69	84%	0.835	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-59.6	116.1	-179.2	0	0	0	0	0	109.4	P222	P222-A224 PolarHBondContact O-N 2.89Å
225	D	85.1	Confident	88.5	Confident	95 Å²	95	72.3 Å²	72.3	51%	0.508	38%	0.377	S	S	.	.			trans	-113	115	176.1	-174.6	-2.2	0	0	0	108.5	K223 A227 R228 L229	K223-D225 PolarHBondContact O-N 3.22Å; K223-D225 VanDerWaalsContact O-N 3.08Å; D225-A227 PolarHBondContact O-N 3.46Å; D225-A227 WeakPolarHBondContact OD1-CB 3.39Å; D225-A227 PolarHBondContact OD1-N 3.34Å; D225-R228 HydrophobicContact CB-CB 4.25Å; D225-R228 PolarHBondContact O-N 3.27Å; D225-L229 PolarHBondContact O-N 3.26Å
226	L	86.6	Confident	85.5	Confident	95 Å²	95	73.8 Å²	73.8	50%	0.497	39%	0.394	S	S	.	.	H	α-helix	trans	-64.2	-34.9	-178.8	-162.6	75.3	0	0	0	110.7	D91 L229 M230	D91-L226 HydrophobicContact CB-CD1 4.1Å; D91-L226 WeakPolarHBondContact OD2-CD1 3.34Å; L226-L229 PolarHBondContact O-N 2.99Å; L226-M230 HydrophobicContact CD1-CE 3.81Å; L226-M230 HydrophobicContact CD2-CE 4.25Å; L226-M230 HydrophobicContact CG-CE 3.77Å; L226-M230 VanDerWaalsContact O-CG 3.3Å; L226-M230 WeakPolarHBondContact O-CG 3.43Å; L226-M230 PolarHBondContact O-N 2.64Å
227	A	89	Confident	82.4	Confident	55 Å²	55	82.3 Å²	82.3	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-48.1	-179.6	0	0	0	0	0	110.8	D225 L229 M230 E231	D225-A227 PolarHBondContact O-N 3.46Å; D225-A227 WeakPolarHBondContact OD1-CB 3.39Å; D225-A227 PolarHBondContact OD1-N 3.34Å; A227-L229 VanDerWaalsContact C-N 3.3Å; A227-L229 PolarHBondContact O-N 3.33Å; A227-M230 WeakPolarHBondContact O-CB 3.24Å; A227-M230 PolarHBondContact O-N 3.46Å; A227-M230 VanDerWaalsContact O-N 3.08Å; A227-E231 PolarHBondContact O-N 3.48Å
228	R	87.3	Confident	79.2	Confident	92 Å²	92	82.3 Å²	82.3	35%	0.347	44%	0.441	S	S	.	.	H	α-helix	trans	-64.9	-34.6	178.5	-157.7	155.9	-169.6	135.6	5	112.4	D132 D181 D225 E231 L232	D132-R228 VanDerWaalsContact CB-NH2 3.34Å; D181-R228 IonicContact OD1-NH2 3.45Å; D181-R228 IonicContact OD2-NH2 3.54Å; D181-R228 PolarHBondContact OD2-NH2 3.07Å; D225-R228 HydrophobicContact CB-CB 4.25Å; D225-R228 PolarHBondContact O-N 3.27Å; R228-E231 PolarHBondContact O-N 3.43Å; R228-L232 WeakPolarHBondContact O-CG 2.93Å; R228-L232 PolarHBondContact O-N 3.46Å; R228-L232 VanDerWaalsContact O-N 3.12Å
229	L	89.3	Confident	76	Confident	7 Å²	7	86.3 Å²	86.3	4%	0.037	48%	0.475	C	S	.	.	H	α-helix	trans	-65.1	-41.3	172.3	-174.3	67.2	0	0	0	111.7	E90 D91 L98 N100 D225 L226 A227 E231 L232 H233	E90-L229 HydrophobicContact CB-CD1 4.45Å; E90-L229 HydrophobicContact CB-CD2 4Å; D91-L229 HydrophobicContact CB-CD2 3.52Å; L98-L229 HydrophobicContact CB-CD2 4.07Å; L98-L229 HydrophobicContact CB-CG 4.42Å; L98-L229 HydrophobicContact CD1-CD2 4.32Å; N100-L229 HydrophobicContact CB-CD1 4.21Å; D225-L229 PolarHBondContact O-N 3.26Å; L226-L229 PolarHBondContact O-N 2.99Å; A227-L229 VanDerWaalsContact C-N 3.3Å; A227-L229 PolarHBondContact O-N 3.33Å; L229-E231 VanDerWaalsContact C-N 3.32Å; L229-E231 PolarHBondContact O-N 3.07Å; L229-L232 PolarHBondContact O-N 3.31Å; L229-H233 PolarHBondContact O-CD2 3.13Å; L229-H233 PolarHBondContact O-N 2.88Å
230	M	90.9	Very high	72.8	Confident	57 Å²	57	86.9 Å²	86.9	28%	0.281	49%	0.491	S	S	.	.	H	α-helix	trans	-64.9	-35.7	176	-65.3	-54.6	152.7	0	0	111.9	Q93 L98 L226 A227 L232 H233 G234	Q93-M230 HydrophobicContact CG-CE 4.39Å; Q93-M230 PolarHBondContact NE2-SD 2.84Å; Q93-M230 VanDerWaalsContact NE2-SD 3.35Å; L98-M230 HydrophobicContact CD1-CE 3.76Å; L98-M230 HydrophobicContact CD1-SD 3.92Å; L226-M230 HydrophobicContact CD1-CE 3.81Å; L226-M230 HydrophobicContact CD2-CE 4.25Å; L226-M230 HydrophobicContact CG-CE 3.77Å; L226-M230 VanDerWaalsContact O-CG 3.3Å; L226-M230 WeakPolarHBondContact O-CG 3.43Å; L226-M230 PolarHBondContact O-N 2.64Å; A227-M230 WeakPolarHBondContact O-CB 3.24Å; A227-M230 PolarHBondContact O-N 3.46Å; A227-M230 VanDerWaalsContact O-N 3.08Å; M230-L232 VanDerWaalsContact C-N 3.35Å; M230-H233 CarbonylContact O-C 3.6Å; M230-H233 PolarHBondContact O-N 2.99Å; M230-G234 WeakPolarHBondContact O-CA 3.32Å; M230-G234 PolarHBondContact O-N 3.24Å
231	E	89.2	Confident	69.9	Low	131 Å²	131	85.6 Å²	85.6	61%	0.612	50%	0.498	S	S	*	.	H	α-helix	trans	-64	-38.1	173.2	-71.4	174.8	177.7	0	0	112.5	A227 R228 L229 H233 G234	A227-E231 PolarHBondContact O-N 3.48Å; R228-E231 PolarHBondContact O-N 3.43Å; L229-E231 VanDerWaalsContact C-N 3.32Å; L229-E231 PolarHBondContact O-N 3.07Å; E231-H233 PolarHBondContact O-N 3.05Å; E231-G234 PolarHBondContact O-N 3.42Å
232	L	89.9	Confident	67.5	Low	18 Å²	18	86 Å²	86	9%	0.094	52%	0.517	C	S	.	.	H	α-helix	trans	-66.9	-26.5	176.2	-70	-178	0	0	0	113.1	A37 M38 K183 R228 L229 M230	A37-L232 WeakPolarHBondContact CB-O 3.42Å; A37-L232 PolarHBondContact N-O 3.39Å; M38-L232 HydrophobicContact CE-CD1 4.36Å; M38-L232 HydrophobicContact CE-CD2 3.38Å; M38-L232 HydrophobicContact CE-CG 4.37Å; K183-L232 HydrophobicContact CB-CD2 4.06Å; K183-L232 HydrophobicContact CD-CD2 4.37Å; K183-L232 HydrophobicContact CG-CD2 4.45Å; R228-L232 WeakPolarHBondContact O-CG 2.93Å; R228-L232 PolarHBondContact O-N 3.46Å; R228-L232 VanDerWaalsContact O-N 3.12Å; L229-L232 PolarHBondContact O-N 3.31Å; M230-L232 VanDerWaalsContact C-N 3.35Å
233	H	90.4	Very high	64.9	Low	21 Å²	21	92.3 Å²	92.3	10%	0.097	54%	0.542	C	S	.	.	H	α-helix	trans	-100.2	-5.1	174.8	-74.3	-84.5	0	0	0	112.8	K34 A35 R42 L98 T99 L229 M230 E231	K34-H233 PolarHBondContact O-CE1 3.34Å; A35-H233 VanDerWaalsContact C-CE1 3.48Å; A35-H233 PolarHBondContact O-CE1 2.93Å; R42-H233 PolarHBondContact NH1-O 3.29Å; L98-H233 HydrophobicContact CD2-CB 4.39Å; T99-H233 PolarHBondContact O-NE2 3.08Å; L229-H233 PolarHBondContact O-CD2 3.13Å; L229-H233 PolarHBondContact O-N 2.88Å; M230-H233 CarbonylContact O-C 3.6Å; M230-H233 PolarHBondContact O-N 2.99Å; E231-H233 PolarHBondContact O-N 3.05Å
234	G	76.1	Confident	62.5	Low	38 Å²	38	88.9 Å²	88.9	39%	0.392	54%	0.539	S	S	.	.			trans	-74.9	133.9	-171.1	0	0	0	0	0	113.3	M230 E231	M230-G234 WeakPolarHBondContact O-CA 3.32Å; M230-G234 PolarHBondContact O-N 3.24Å; E231-G234 PolarHBondContact O-N 3.42Å
235	E	51.5	Low	61	Low	133 Å²	133	89.9 Å²	89.9	62%	0.621	53%	0.534	S	S	*	.			trans	52.1	101.8	174.4	-65	-172.8	157.9	0	0	118.4	K237	E235-K237 HydrophobicContact CG-CG 4.22Å; E235-K237 WeakPolarHBondContact OE1-CD 3.33Å; E235-K237 WeakPolarHBondContact OE1-CE 3.03Å; E235-K237 IonicContact OE1-NZ 3.77Å; E235-K237 PolarHBondContact OE1-NZ 3.35Å
236	S	34.4	Very low	59	Low	75 Å²	75	90.4 Å²	90.4	52%	0.524	55%	0.545	S	S	.	.				-107.1	117.3	99.5	55.3	0	0	0	0	108	S238	S236-S238 WeakPolarHBondContact CB-OG 3.4Å; S236-S238 PolarHBondContact O-N 3.35Å; S236-S238 PolarHBondContact OG-OG 3Å
237	K	32.5	Very low	57.2	Low	182 Å²	182	96.3 Å²	96.3	79%	0.791	56%	0.561	S	S	*	*			trans	-66.8	57.5	159.1	-84.2	170.7	166.7	138.7	0	109.3	E235	E235-K237 HydrophobicContact CG-CG 4.22Å; E235-K237 WeakPolarHBondContact OE1-CD 3.33Å; E235-K237 WeakPolarHBondContact OE1-CE 3.03Å; E235-K237 IonicContact OE1-NZ 3.77Å; E235-K237 PolarHBondContact OE1-NZ 3.35Å
238	S	30.2	Very low	55.4	Low	82 Å²	82	98.6 Å²	98.6	57%	0.573	57%	0.571	S	S	*	*			trans	-108.8	100.6	170.5	52.7	0	0	0	0	106.6	S236 A240	S236-S238 WeakPolarHBondContact CB-OG 3.4Å; S236-S238 PolarHBondContact O-N 3.35Å; S236-S238 PolarHBondContact OG-OG 3Å; S238-A240 PolarHBondContact O-N 3.08Å
239	A	28.7	Very low	53.8	Low	103 Å²	103	101.6 Å²	101.6	85%	0.851	59%	0.594	S	S	*	*			trans	-33.2	117.5	175.4	0	0	0	0	0	114.4
240	A	27.8	Very low	51.6	Low	88 Å²	88	109.4 Å²	109.4	73%	0.727	63%	0.63	S	S	*	*				-124.7	116.2	128	0	0	0	0	0	104.5	S238 G242	S238-A240 PolarHBondContact O-N 3.08Å; A240-G242 PolarHBondContact O-N 2.81Å
241	P	34.4	Very low	50.1	Low	117 Å²	117	115.7 Å²	115.7	76%	0.76	65%	0.652	S	S	*	*			trans	-58.1	133.7	173.2	28.1	-30.8	0	0	0	106.1	E243	P241-E243 PolarHBondContact O-N 2.88Å; P241-E243 VanDerWaalsContact O-N 3.12Å
242	G	42.7	Very low	48.4	Very low	63 Å²	63	117.6 Å²	117.6	65%	0.649	66%	0.661	S	S	*	*			trans	-47.7	127.1	167.5	0	0	0	0	0	107.6	A240 T244	A240-G242 PolarHBondContact O-N 2.81Å; G242-T244 PolarHBondContact O-N 3.14Å
243	E	38.1	Very low	46.8	Very low	183 Å²	183	121 Å²	121	86%	0.855	68%	0.684	S	S	*	*			trans	-53.7	106.4	173.9	-171.4	170.6	-176.8	0	0	106.8	P241 V245	P241-E243 PolarHBondContact O-N 2.88Å; P241-E243 VanDerWaalsContact O-N 3.12Å; E243-V245 VanDerWaalsContact C-N 3.26Å; E243-V245 PolarHBondContact O-N 2.57Å
244	T	37.8	Very low	45.5	Very low	131 Å²	131	125 Å²	125	80%	0.804	71%	0.711	S	S	*	*			trans	-62.8	96.7	171.3	40.5	0	0	0	0	105.8	G242 S246	G242-T244 PolarHBondContact O-N 3.14Å; T244-S246 VanDerWaalsContact C-N 3.34Å; T244-S246 PolarHBondContact O-N 2.84Å
245	V	49.3	Very low	44.2	Very low	121 Å²	121	132.4 Å²	132.4	73%	0.733	73%	0.733	S	S	*	*			trans	-60.4	106.1	164.8	179.6	0	0	0	0	105.1	E243 R247	E243-V245 VanDerWaalsContact C-N 3.26Å; E243-V245 PolarHBondContact O-N 2.57Å; V245-R247 VanDerWaalsContact C-N 3.32Å; V245-R247 PolarHBondContact O-N 3.23Å
246	S	42.3	Very low	44.5	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	74%	0.742	S	S	*	*			trans	-60.8	102.1	167.2	48.8	0	0	0	0	106.6	T244 P248	T244-S246 VanDerWaalsContact C-N 3.34Å; T244-S246 PolarHBondContact O-N 2.84Å; S246-P248 WeakPolarHBondContact O-CD 3.35Å
247	R	48.9	Very low	45.1	Very low	220 Å²	220	135.7 Å²	135.7	83%	0.83	75%	0.753	S	S	*	*			trans	-75	110.1	156.6	-93	179.5	167.7	169.9	-4.5	105	V245 D249	V245-R247 VanDerWaalsContact C-N 3.32Å; V245-R247 PolarHBondContact O-N 3.23Å; R247-D249 PolarHBondContact O-N 3.1Å
248	P	52.1	Low	46.1	Very low	102 Å²	102	132.6 Å²	132.6	66%	0.662	76%	0.755	S	S	*	*			trans	-59.1	127.7	167.8	22.7	-30.1	0	0	0	108	S246 H250	S246-P248 WeakPolarHBondContact O-CD 3.35Å; P248-H250 PolarHBondContact O-N 2.81Å
249	D	53	Low	47.1	Very low	155 Å²	155	138.6 Å²	138.6	83%	0.829	79%	0.788	S	S	*	*	S	Bend	trans	-65.8	8.5	-179.4	-69.3	-38.4	0	0	0	113.7	R247	R247-D249 PolarHBondContact O-N 3.1Å
250	H	43.6	Very low	48	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.796	78%	0.784	S	S	*	*			trans	-133.2	57.5	-176.9	-67.4	-58.5	0	0	0	112.9	P248 E252	P248-H250 PolarHBondContact O-N 2.81Å; H250-E252 PolarHBondContact O-N 3.26Å
251	Y	59.9	Low	49.1	Very low	189 Å²	189	143.2 Å²	143.2	74%	0.741	79%	0.787	S	S	*	*			trans	-82.5	87.2	158.4	-172.1	-99.1	0	0	0	109	P253	Y251-P253 HydrophobicContact CE1-CB 4.35Å
252	E	51.8	Low	49.9	Very low	171 Å²	171	144.6 Å²	144.6	80%	0.799	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-78.2	120.2	161.1	-86.6	-167.7	153.3	0	0	108.7	H250	H250-E252 PolarHBondContact O-N 3.26Å
253	P	58.3	Low	50.3	Low	90 Å²	90	149.4 Å²	149.4	58%	0.584	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-63.5	142.1	173.4	26.7	-32.2	0	0	0	109.3	Y251 K255	Y251-P253 HydrophobicContact CE1-CB 4.35Å; P253-K255 PolarHBondContact O-N 3.25Å
254	P	61.8	Low	51.1	Low	104 Å²	104	147.3 Å²	147.3	68%	0.675	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-56.8	126.2	178.4	23	-32.1	0	0	0	109.4	V256	P254-V256 PolarHBondContact O-N 2.74Å
255	K	50.2	Low	51.9	Low	194 Å²	194	148.4 Å²	148.4	84%	0.843	79%	0.793	S	S	*	*			trans	-56.6	115.6	170.5	-77.3	178.7	179.7	172.6	0	107.6	P253 D257	P253-K255 PolarHBondContact O-N 3.25Å; K255-D257 PolarHBondContact O-N 3.07Å
256	V	57.6	Low	52.1	Low	135 Å²	135	150.4 Å²	150.4	82%	0.818	80%	0.797	S	S	*	*			trans	-77.1	107.5	169.2	-167.8	0	0	0	0	105	P254 S258	P254-V256 PolarHBondContact O-N 2.74Å; V256-S258 PolarHBondContact O-N 3.22Å; V256-S258 VanDerWaalsContact O-N 3.07Å
257	D	45.4	Very low	52.9	Low	141 Å²	141	153.8 Å²	153.8	75%	0.754	80%	0.801	S	S	*	*			trans	-61.8	113.1	170.2	-69.8	-33	0	0	0	107.4	K255 V259	K255-D257 PolarHBondContact O-N 3.07Å; D257-V259 PolarHBondContact O-N 3.12Å; D257-V259 VanDerWaalsContact O-N 3.14Å
258	S	53.7	Low	53.2	Low	117 Å²	117	148.3 Å²	148.3	82%	0.818	80%	0.799	S	S	*	*			trans	-66.1	109.7	170.4	50.3	0	0	0	0	108.2	V256	V256-S258 PolarHBondContact O-N 3.22Å; V256-S258 VanDerWaalsContact O-N 3.07Å
259	V	51.2	Low	53.3	Low	209 Å²	209	152.5 Å²	152.5	100%	1.267	81%	0.811	S	S	*	*			trans	-68.6	0	158.2	-179.5	0	0	0	0	108.9	D257	D257-V259 PolarHBondContact O-N 3.12Å; D257-V259 VanDerWaalsContact O-N 3.14Å

Retrieved 259 of 259 residues in 99.7 ms (Link to these results)

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