G4V8X9_SCHMA Loading...

Putative heat shock protein

AlphaFold DB , UniProt , Accession G4V8X9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 467 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	68.5	Low	223 Å²	223	125.5 Å²	125.5	100%	1.099	63%	0.627	S	S	*	*				0	102.7	0	-80.9	-167.6	176.9	0	0	104.9	N3	M1-N3 PolarHBondContact O-N 2.9Å; M1-N3 VanDerWaalsContact O-N 3.09Å
2	D	38.1	Very low	70.9	Confident	145 Å²	145	117.9 Å²	117.9	78%	0.775	59%	0.589	S	S	*	*			trans	-72.1	102.4	-178	-54.7	-41.7	0	0	0	107.3	Y4	D2-Y4 WeakPolarHBondContact O-CD2 3.48Å; D2-Y4 PolarHBondContact O-N 3.28Å
3	N	46.2	Very low	72.9	Confident	155 Å²	155	113.7 Å²	113.7	83%	0.829	58%	0.578	S	S	*	*			trans	-66.6	103.5	171.7	-79.4	-13.9	0	0	0	106.6	M1 R5	M1-N3 PolarHBondContact O-N 2.9Å; M1-N3 VanDerWaalsContact O-N 3.09Å; N3-R5 VanDerWaalsContact C-N 3.3Å; N3-R5 PolarHBondContact O-N 3.08Å
4	Y	47.4	Very low	74.6	Confident	212 Å²	212	117.4 Å²	117.4	83%	0.831	58%	0.581	S	S	*	*			trans	-59.6	96.7	167.2	-77.2	-95.2	0	0	0	107.8	D2 T6	D2-Y4 WeakPolarHBondContact O-CD2 3.48Å; D2-Y4 PolarHBondContact O-N 3.28Å; Y4-T6 PolarHBondContact O-N 3.01Å; Y4-T6 PolarHBondContact O-OG1 3.41Å
5	R	58.9	Low	76.1	Confident	161 Å²	161	110.9 Å²	110.9	61%	0.608	55%	0.55	S	S	*	.			trans	-57	110.2	169.8	-125.9	175.6	-178.5	175	-1.4	106.7	N3 E7 V277 D278	N3-R5 VanDerWaalsContact C-N 3.3Å; N3-R5 PolarHBondContact O-N 3.08Å; R5-E7 PolarHBondContact O-N 2.99Å; R5-V277 HydrophobicContact CB-CG1 4.44Å; R5-V277 HydrophobicContact CG-CG1 3.73Å; R5-D278 VanDerWaalsContact CG-OD1 3.26Å; R5-D278 WeakPolarHBondContact CG-OD1 3.48Å; R5-D278 IonicContact CZ-OD2 3.92Å; R5-D278 IonicContact NE-OD1 3.7Å; R5-D278 IonicContact NE-OD2 2.71Å; R5-D278 PolarHBondContact NE-OD2 3.12Å; R5-D278 IonicContact NH2-OD2 3.61Å; R5-D278 PolarHBondContact NH2-OD2 2.71Å
6	T	69	Low	77.4	Confident	104 Å²	104	115.8 Å²	115.8	64%	0.638	57%	0.567	S	S	*	*			trans	-85.9	98.4	-178.2	-51.9	0	0	0	0	107.2	Y4 V8	Y4-T6 PolarHBondContact O-N 3.01Å; Y4-T6 PolarHBondContact O-OG1 3.41Å; T6-V8 HydrophobicContact CG2-CG2 4.15Å
7	E	84.5	Confident	78.7	Confident	114 Å²	114	113.8 Å²	113.8	53%	0.533	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.9	125.2	168.3	-178.1	165.1	-156.3	0	0	108.9	R5 T275 T276 V277	R5-E7 PolarHBondContact O-N 2.99Å; E7-T275 HydrophobicContact CG-CG2 4.27Å; E7-T275 WeakPolarHBondContact OE1-CB 3.23Å; E7-T275 WeakPolarHBondContact OE1-CG2 3.29Å; E7-T275 PolarHBondContact OE1-OG1 2.8Å; E7-T276 WeakPolarHBondContact CA-O 3.34Å; E7-V277 HydrophobicContact CB-CG2 3.94Å; E7-V277 HydrophobicContact CG-CG2 3.76Å
8	V	89	Confident	79.7	Confident	71 Å²	71	110.3 Å²	110.3	43%	0.43	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.9	177.2	-178.5	0	0	0	0	108.3	T6 T275 T276	T6-V8 HydrophobicContact CG2-CG2 4.15Å; V8-T275 CarbonylContact O-C 3.5Å; V8-T275 VanDerWaalsContact O-CA 3.28Å; V8-T275 WeakPolarHBondContact O-CA 3.2Å; V8-T276 PolarHBondContact N-O 3.48Å; V8-T276 PolarHBondContact O-N 2.85Å
9	N	93	Very high	80.7	Confident	91 Å²	91	104.8 Å²	104.8	49%	0.487	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	129	173	-175	-76	0	0	0	109.7	E273 T275	N9-E273 PolarHBondContact ND2-OE1 3.44Å; N9-T275 HydrophobicContact CB-CG2 4.35Å
10	I	94.7	Very high	81.6	Confident	8 Å²	8	102.8 Å²	102.8	4%	0.041	50%	0.501	C	S	.	.			trans	-102.2	112.8	-178.6	-57.6	165.8	0	0	0	108.7	V274 T276 L281 F315 C317 L327	I10-V274 HydrophobicContact CB-CB 4.37Å; I10-V274 HydrophobicContact CB-CG1 4.02Å; I10-V274 HydrophobicContact CD1-CG1 4.05Å; I10-V274 HydrophobicContact CG1-CG1 4.49Å; I10-V274 PolarHBondContact N-O 3.39Å; I10-T276 HydrophobicContact CD1-CG2 3.63Å; I10-L281 HydrophobicContact CD1-CD1 4.23Å; I10-F315 HydrophobicContact CD1-CB 3.64Å; I10-F315 HydrophobicContact CD1-CG 4.08Å; I10-F315 HydrophobicContact CG1-CB 4.28Å; I10-C317 HydrophobicContact CG2-CB 3.58Å; I10-L327 HydrophobicContact CD1-CD2 4.39Å
11	P	96	Very high	82.3	Confident	96 Å²	96	101.8 Å²	101.8	62%	0.623	50%	0.495	S	S	*	.			trans	-66	138.5	-178.3	26.6	-34.1	0	0	0	112
12	I	97.6	Very high	85.2	Confident	35 Å²	35	92.9 Å²	92.9	18%	0.179	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.3	-179.7	-52.8	175.8	0	0	0	110.3	P269 I272 V274 C317 M319 L325	I12-P269 HydrophobicContact CG2-CB 4.17Å; I12-I272 HydrophobicContact CD1-CB 3.67Å; I12-I272 HydrophobicContact CD1-CG2 3.7Å; I12-I272 WeakPolarHBondContact CD1-O 3.3Å; I12-V274 HydrophobicContact CD1-CG2 3.98Å; I12-V274 HydrophobicContact CG1-CG2 4.15Å; I12-C317 HydrophobicContact CG1-CB 4.5Å; I12-M319 HydrophobicContact CG2-CB 3.83Å; I12-L325 HydrophobicContact CD1-CD1 4.13Å; I12-L325 HydrophobicContact CG1-CD1 4.4Å; I12-L325 HydrophobicContact CG2-CD1 3.77Å
13	S	96.9	Very high	88	Confident	63 Å²	63	86.3 Å²	86.3	44%	0.441	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.6	174.4	-63.7	0	0	0	0	111.5	C317 H318 M319	S13-C317 PolarHBondContact N-O 3.33Å; S13-H318 CarbonylContact O-C 3.57Å; S13-H318 WeakPolarHBondContact O-CA 3.1Å; S13-M319 PolarHBondContact O-N 2.82Å
14	R	96.7	Very high	90.5	Very high	165 Å²	165	82.8 Å²	82.8	62%	0.623	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.2	175.2	-65	-172	-177.2	-176.8	-2.4	111.2	P269 E270	R14-P269 HydrophobicContact CG-CB 4.33Å; R14-P269 HydrophobicContact CG-CG 3.8Å; R14-E270 IonicContact CZ-OE2 3.95Å; R14-E270 IonicContact NH2-OE1 3.74Å; R14-E270 PolarHBondContact NH2-OE1 3.01Å; R14-E270 VanDerWaalsContact NH2-OE1 3.12Å; R14-E270 IonicContact NH2-OE2 3.74Å; R14-E270 PolarHBondContact NH2-OE2 2.87Å
15	D	96.8	Very high	92.8	Very high	21 Å²	21	74.7 Å²	74.7	11%	0.112	36%	0.362	C	S	.	.			trans	-106.5	123.2	171.4	-166.5	-28	0	0	0	109.5	R17 R22 M319 T320 E321	D15-R17 PolarHBondContact O-N 3.19Å; D15-R17 VanDerWaalsContact OD1-CB 3.29Å; D15-R17 WeakPolarHBondContact OD1-CB 3.36Å; D15-R17 WeakPolarHBondContact OD1-CG 3.47Å; D15-R17 IonicContact OD1-CZ 2.63Å; D15-R17 PolarHBondContact OD1-N 2.86Å; D15-R17 IonicContact OD1-NE 3.9Å; D15-R17 PolarHBondContact OD1-NE 2.86Å; D15-R17 IonicContact OD1-NH2 3.9Å; D15-R17 IonicContact OD2-CZ 3.85Å; D15-R17 IonicContact OD2-NE 2.83Å; D15-R17 PolarHBondContact OD2-NE 2.85Å; D15-R17 IonicContact OD2-NH2 3.74Å; D15-R17 PolarHBondContact OD2-NH2 2.83Å; D15-R22 WeakPolarHBondContact OD2-CD 3.38Å; D15-R22 IonicContact OD2-NE 3.47Å; D15-M319 PolarHBondContact N-O 3.3Å; D15-T320 CarbonylContact O-C 3.52Å; D15-E321 PolarHBondContact O-N 3.4Å; D15-E321 VanDerWaalsContact O-N 3.09Å
16	K	97.5	Very high	94.6	Very high	189 Å²	189	68.2 Å²	68.2	82%	0.822	34%	0.339	S	S	*	.	S	Bend	trans	-74.6	-3.2	-179.2	-64	-176.1	179.8	-179.8	0	113.4
17	R	98.1	Very high	95.9	Very high	82 Å²	82	63.2 Å²	63.2	31%	0.309	31%	0.308	S	S	.	.	S	Bend	trans	-93.7	150.1	177.3	-62.8	172.2	-67	180	-0.1	109.5	D15 Q21 R22 D25 T320 E321	D15-R17 PolarHBondContact O-N 3.19Å; D15-R17 VanDerWaalsContact OD1-CB 3.29Å; D15-R17 WeakPolarHBondContact OD1-CB 3.36Å; D15-R17 WeakPolarHBondContact OD1-CG 3.47Å; D15-R17 IonicContact OD1-CZ 2.63Å; D15-R17 PolarHBondContact OD1-N 2.86Å; D15-R17 IonicContact OD1-NE 3.9Å; D15-R17 PolarHBondContact OD1-NE 2.86Å; D15-R17 IonicContact OD1-NH2 3.9Å; D15-R17 IonicContact OD2-CZ 3.85Å; D15-R17 IonicContact OD2-NE 2.83Å; D15-R17 PolarHBondContact OD2-NE 2.85Å; D15-R17 IonicContact OD2-NH2 3.74Å; D15-R17 PolarHBondContact OD2-NH2 2.83Å; R17-Q21 HydrophobicContact CB-CB 4.04Å; R17-Q21 HydrophobicContact CB-CG 4.06Å; R17-Q21 HydrophobicContact CG-CG 4.04Å; R17-R22 HydrophobicContact CB-CB 4.38Å; R17-D25 WeakPolarHBondContact CD-OD2 3.39Å; R17-D25 IonicContact CZ-OD2 2.95Å; R17-D25 IonicContact NE-OD2 3.26Å; R17-D25 IonicContact NH1-OD2 3.75Å; R17-D25 PolarHBondContact NH1-OD2 2.84Å; R17-T320 VanDerWaalsContact O-CB 3.31Å; R17-T320 WeakPolarHBondContact O-CB 3.37Å; R17-E321 PolarHBondContact O-N 2.88Å
18	T	98.2	Very high	96.5	Very high	51 Å²	51	59.2 Å²	59.2	31%	0.313	29%	0.293	S	S	.	.			trans	-66.4	161.3	163.7	66.7	0	0	0	0	110.8	E20 Q21 R22 D322	T18-E20 VanDerWaalsContact C-N 3.28Å; T18-E20 PolarHBondContact O-N 2.84Å; T18-Q21 PolarHBondContact O-N 3.15Å; T18-Q21 VanDerWaalsContact O-N 3.11Å; T18-Q21 WeakPolarHBondContact OG1-CB 3.44Å; T18-Q21 PolarHBondContact OG1-N 3.44Å; T18-R22 PolarHBondContact O-N 2.85Å; T18-D322 WeakPolarHBondContact CA-OD1 3.29Å; T18-D322 HydrophobicContact CG2-CB 4.33Å
19	F	97.8	Very high	96.8	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-51.4	-46.4	175.3	174.5	-122.4	0	0	0	112.7	R22 R23 M91 R92 M95 D322 V324 I326	F19-R22 PolarHBondContact O-N 2.86Å; F19-R23 PolarHBondContact O-N 2.8Å; F19-R23 VanDerWaalsContact O-N 3.09Å; F19-M91 HydrophobicContact CE1-CB 4.1Å; F19-M91 HydrophobicContact CE1-CE 4.32Å; F19-M91 HydrophobicContact CE1-SD 4.45Å; F19-M91 HydrophobicContact CZ-CB 4Å; F19-M91 HydrophobicContact CZ-CE 4.11Å; F19-M91 HydrophobicContact CZ-SD 3.76Å; F19-R92 HydrophobicContact CE1-CG 4.49Å; F19-M95 HydrophobicContact CD1-CE 3.71Å; F19-M95 HydrophobicContact CE1-CE 3.58Å; F19-M95 HydrophobicContact CE2-CE 4.43Å; F19-M95 HydrophobicContact CG-CE 4.2Å; F19-M95 HydrophobicContact CZ-CE 3.95Å; F19-D322 PolarHBondContact N-OD1 2.54Å; F19-V324 HydrophobicContact CB-CB 4.18Å; F19-V324 HydrophobicContact CB-CG2 3.76Å; F19-V324 HydrophobicContact CD2-CG1 4.27Å; F19-V324 HydrophobicContact CG-CB 4.45Å; F19-V324 HydrophobicContact CG-CG1 4.45Å; F19-V324 HydrophobicContact CG-CG2 4.14Å; F19-I326 HydrophobicContact CD2-CD1 3.67Å; F19-I326 HydrophobicContact CE2-CD1 4.02Å
20	E	98	Very high	96.9	Very high	63 Å²	63	54.6 Å²	54.6	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-65.8	-41.6	178.3	-72.6	-173.9	-147.6	0	0	112.3	T18 R23 K24 W84 M88 R92	T18-E20 VanDerWaalsContact C-N 3.28Å; T18-E20 PolarHBondContact O-N 2.84Å; E20-R23 PolarHBondContact O-N 3.08Å; E20-K24 WeakPolarHBondContact O-CG 3.32Å; E20-K24 PolarHBondContact O-N 2.8Å; E20-W84 HydrophobicContact CB-CZ2 4.09Å; E20-W84 HydrophobicContact CG-CZ2 4.28Å; E20-M88 HydrophobicContact CG-CG 4.13Å; E20-M88 HydrophobicContact CG-SD 4.18Å; E20-R92 IonicContact OE1-NE 3.4Å; E20-R92 IonicContact OE1-NH2 2.66Å
21	Q	98	Very high	96.9	Very high	82 Å²	82	57 Å²	57	38%	0.383	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-44.9	178.4	-176	62.9	47.2	0	0	111.1	R17 T18 R23 K24 D25	R17-Q21 HydrophobicContact CB-CB 4.04Å; R17-Q21 HydrophobicContact CB-CG 4.06Å; R17-Q21 HydrophobicContact CG-CG 4.04Å; T18-Q21 PolarHBondContact O-N 3.15Å; T18-Q21 VanDerWaalsContact O-N 3.11Å; T18-Q21 WeakPolarHBondContact OG1-CB 3.44Å; T18-Q21 PolarHBondContact OG1-N 3.44Å; Q21-R23 VanDerWaalsContact C-N 3.27Å; Q21-R23 PolarHBondContact O-N 2.88Å; Q21-K24 PolarHBondContact O-N 2.83Å; Q21-D25 PolarHBondContact NE2-OD1 2.83Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.47Å
22	R	97.5	Very high	96.7	Very high	37 Å²	37	59 Å²	59	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-55.9	-43.2	175.3	-178.7	176.5	-178.4	-168.8	1.8	111.3	D15 R17 T18 F19 D25 M26 H318	D15-R22 WeakPolarHBondContact OD2-CD 3.38Å; D15-R22 IonicContact OD2-NE 3.47Å; R17-R22 HydrophobicContact CB-CB 4.38Å; T18-R22 PolarHBondContact O-N 2.85Å; F19-R22 PolarHBondContact O-N 2.86Å; R22-D25 PolarHBondContact O-N 2.83Å; R22-M26 PolarHBondContact O-N 2.82Å; R22-M26 VanDerWaalsContact O-N 3.09Å; R22-H318 PolarHBondContact NH2-ND1 2.8Å
23	R	96.9	Very high	96.5	Very high	7 Å²	7	60 Å²	60	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-70.7	-38.7	178.2	-171.9	169	-179	102.1	-6.6	113.2	F19 E20 Q21 D25 M26 L27 W84 M91 E249	F19-R23 PolarHBondContact O-N 2.8Å; F19-R23 VanDerWaalsContact O-N 3.09Å; E20-R23 PolarHBondContact O-N 3.08Å; Q21-R23 VanDerWaalsContact C-N 3.27Å; Q21-R23 PolarHBondContact O-N 2.88Å; R23-D25 VanDerWaalsContact C-N 3.3Å; R23-D25 PolarHBondContact O-N 2.87Å; R23-M26 HydrophobicContact CG-CE 4.1Å; R23-M26 PolarHBondContact O-N 3.38Å; R23-L27 WeakPolarHBondContact O-CG 3.39Å; R23-L27 PolarHBondContact O-N 3.34Å; R23-W84 HydrophobicContact CB-CH2 4.09Å; R23-W84 HydrophobicContact CG-CH2 4.17Å; R23-W84 HydrophobicContact CG-CZ3 4.12Å; R23-M91 VanDerWaalsContact CZ-CE 3.41Å; R23-M91 PolarHBondContact NH1-SD 2.88Å; R23-E249 IonicContact CZ-OE2 2.63Å; R23-E249 IonicContact NH1-OE1 2.67Å; R23-E249 PolarHBondContact NH1-OE1 2.82Å; R23-E249 IonicContact NH1-OE2 2.74Å; R23-E249 PolarHBondContact NH1-OE2 2.83Å; R23-E249 IonicContact NH2-OE2 3.85Å
24	K	97.3	Very high	96	Very high	81 Å²	81	58.1 Å²	58.1	35%	0.352	27%	0.265	S	S	.	.	H	α-helix	trans	-60.1	-41.5	173	-75.4	177.3	-175.7	166.7	0	111.9	E20 Q21 S28 W84	E20-K24 WeakPolarHBondContact O-CG 3.32Å; E20-K24 PolarHBondContact O-N 2.8Å; Q21-K24 PolarHBondContact O-N 2.83Å; K24-S28 WeakPolarHBondContact O-CB 3.31Å; K24-S28 PolarHBondContact O-N 2.79Å; K24-S28 PolarHBondContact O-OG 2.92Å; K24-W84 HydrophobicContact CB-CH2 4.4Å; K24-W84 HydrophobicContact CD-CH2 4.33Å; K24-W84 HydrophobicContact CD-CZ2 4.18Å; K24-W84 VanDerWaalsContact CE-CZ2 3.43Å; K24-W84 HydrophobicContact CG-CH2 3.38Å; K24-W84 HydrophobicContact CG-CZ2 3.71Å; K24-W84 HydrophobicContact CG-CZ3 3.94Å
25	D	97.2	Very high	95.3	Very high	42 Å²	42	53.4 Å²	53.4	23%	0.225	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-44.3	178.2	-68.4	-9.5	0	0	0	111.2	R17 Q21 R22 R23 S28 N29	R17-D25 WeakPolarHBondContact CD-OD2 3.39Å; R17-D25 IonicContact CZ-OD2 2.95Å; R17-D25 IonicContact NE-OD2 3.26Å; R17-D25 IonicContact NH1-OD2 3.75Å; R17-D25 PolarHBondContact NH1-OD2 2.84Å; Q21-D25 PolarHBondContact NE2-OD1 2.83Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.47Å; R22-D25 PolarHBondContact O-N 2.83Å; R23-D25 VanDerWaalsContact C-N 3.3Å; R23-D25 PolarHBondContact O-N 2.87Å; D25-S28 PolarHBondContact O-N 2.85Å; D25-N29 WeakPolarHBondContact O-CB 3.25Å; D25-N29 VanDerWaalsContact O-CG 3.29Å; D25-N29 PolarHBondContact O-N 2.81Å
26	M	96.4	Very high	94.1	Very high	24 Å²	24	59.4 Å²	59.4	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-49.9	175.9	179.4	-125.8	-62.6	0	0	111.7	R22 R23 S28 N29 L30 W76 D252	R22-M26 PolarHBondContact O-N 2.82Å; R22-M26 VanDerWaalsContact O-N 3.09Å; R23-M26 HydrophobicContact CG-CE 4.1Å; R23-M26 PolarHBondContact O-N 3.38Å; M26-S28 VanDerWaalsContact C-N 3.29Å; M26-S28 PolarHBondContact O-N 2.83Å; M26-N29 WeakPolarHBondContact O-CB 3.36Å; M26-N29 PolarHBondContact O-N 2.66Å; M26-L30 HydrophobicContact CG-CD1 4.39Å; M26-L30 WeakPolarHBondContact O-CG 3.37Å; M26-L30 PolarHBondContact O-N 3.46Å; M26-L30 HydrophobicContact SD-CD1 4.26Å; M26-W76 HydrophobicContact SD-CH2 4.19Å; M26-D252 HydrophobicContact CG-CB 4.31Å
27	L	96.6	Very high	92.6	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.5	-43.1	175.1	-70.2	172.1	0	0	0	112	R23 N29 L30 E31 W76 T80 R81 W84	R23-L27 WeakPolarHBondContact O-CG 3.39Å; R23-L27 PolarHBondContact O-N 3.34Å; L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 2.9Å; L27-L30 PolarHBondContact O-N 2.89Å; L27-E31 WeakPolarHBondContact O-CG 3.22Å; L27-E31 PolarHBondContact O-N 2.8Å; L27-W76 HydrophobicContact CD2-CE3 4.19Å; L27-W76 HydrophobicContact CD2-CH2 3.92Å; L27-W76 HydrophobicContact CD2-CZ3 3.41Å; L27-W76 VanDerWaalsContact CD2-CZ3 3.41Å; L27-T80 HydrophobicContact CD1-CG2 3.88Å; L27-T80 HydrophobicContact CD2-CG2 3.99Å; L27-R81 HydrophobicContact CD1-CG 4.24Å; L27-W84 HydrophobicContact CD1-CE3 4.09Å; L27-W84 HydrophobicContact CD1-CZ3 3.69Å
28	S	95.9	Very high	90.7	Very high	29 Å²	29	54.7 Å²	54.7	20%	0.203	28%	0.275	C	S	.	.	H	α-helix	trans	-69	-32.7	-179.6	-52.4	0	0	0	0	112.4	K24 D25 M26 R32 R81	K24-S28 WeakPolarHBondContact O-CB 3.31Å; K24-S28 PolarHBondContact O-N 2.79Å; K24-S28 PolarHBondContact O-OG 2.92Å; D25-S28 PolarHBondContact O-N 2.85Å; M26-S28 VanDerWaalsContact C-N 3.29Å; M26-S28 PolarHBondContact O-N 2.83Å; S28-R32 WeakPolarHBondContact O-CG 3.4Å; S28-R32 VanDerWaalsContact O-CZ 3.22Å; S28-R32 PolarHBondContact O-N 3.18Å; S28-R32 PolarHBondContact O-NE 3.34Å; S28-R32 PolarHBondContact O-NH1 2.92Å; S28-R81 PolarHBondContact OG-NH2 3.19Å; S28-R81 VanDerWaalsContact OG-NH2 3.11Å
29	N	95.7	Very high	88.5	Confident	64 Å²	64	61.9 Å²	61.9	34%	0.342	30%	0.297	S	S	.	.	H	α-helix	trans	-66.3	-48.3	172.7	-75	-19.9	0	0	0	110.7	D25 M26 L27 E31 R32 S33	D25-N29 WeakPolarHBondContact O-CB 3.25Å; D25-N29 VanDerWaalsContact O-CG 3.29Å; D25-N29 PolarHBondContact O-N 2.81Å; M26-N29 WeakPolarHBondContact O-CB 3.36Å; M26-N29 PolarHBondContact O-N 2.66Å; L27-N29 VanDerWaalsContact C-N 3.33Å; L27-N29 PolarHBondContact O-N 2.9Å; N29-E31 PolarHBondContact O-N 2.82Å; N29-R32 WeakPolarHBondContact O-CB 3.33Å; N29-R32 PolarHBondContact O-N 3.28Å; N29-R32 PolarHBondContact OD1-NH2 3.08Å; N29-S33 PolarHBondContact O-N 2.7Å; N29-S33 PolarHBondContact O-OG 2.78Å
30	L	95.4	Very high	86.5	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-59.6	-46.3	178.1	-73	173.1	0	0	0	111.9	M26 L27 R32 S33 Y34 W76 I77 L250 G251	M26-L30 HydrophobicContact CG-CD1 4.39Å; M26-L30 WeakPolarHBondContact O-CG 3.37Å; M26-L30 PolarHBondContact O-N 3.46Å; M26-L30 HydrophobicContact SD-CD1 4.26Å; L27-L30 PolarHBondContact O-N 2.89Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 2.97Å; L30-S33 PolarHBondContact O-N 2.9Å; L30-Y34 HydrophobicContact CD2-CE2 4.24Å; L30-Y34 WeakPolarHBondContact O-CD2 3.15Å; L30-Y34 PolarHBondContact O-N 2.9Å; L30-W76 HydrophobicContact CD1-CZ3 3.92Å; L30-I77 HydrophobicContact CB-CD1 3.7Å; L30-I77 HydrophobicContact CB-CG1 4.25Å; L30-L250 HydrophobicContact CD1-CB 4.41Å; L30-G251 WeakPolarHBondContact CD2-O 3.48Å
31	E	93.9	Very high	84.2	Confident	60 Å²	60	68.7 Å²	68.7	28%	0.28	34%	0.339	S	S	.	.	H	α-helix	trans	-56.3	-43.1	175.8	-78	176.7	157.9	0	0	112.6	L27 N29 S33 S35 I77 R81	L27-E31 WeakPolarHBondContact O-CG 3.22Å; L27-E31 PolarHBondContact O-N 2.8Å; N29-E31 PolarHBondContact O-N 2.82Å; E31-S33 VanDerWaalsContact C-N 3.33Å; E31-S35 WeakPolarHBondContact O-CB 3.41Å; E31-S35 PolarHBondContact O-N 2.97Å; E31-S35 PolarHBondContact O-OG 2.77Å; E31-I77 HydrophobicContact CG-CD1 4.24Å; E31-I77 HydrophobicContact CG-CG2 3.4Å; E31-I77 WeakPolarHBondContact OE1-CG2 3.5Å; E31-R81 VanDerWaalsContact OE1-CD 3.29Å; E31-R81 WeakPolarHBondContact OE1-CD 3.36Å; E31-R81 IonicContact OE1-CZ 2.63Å; E31-R81 IonicContact OE1-NE 3.76Å; E31-R81 PolarHBondContact OE1-NE 3.09Å; E31-R81 IonicContact OE1-NH2 3.28Å; E31-R81 IonicContact OE2-CZ 2.92Å; E31-R81 IonicContact OE2-NE 2.69Å; E31-R81 PolarHBondContact OE2-NE 3.38Å; E31-R81 IonicContact OE2-NH2 3.83Å; E31-R81 PolarHBondContact OE2-NH2 2.93Å
32	R	93.5	Very high	82	Confident	138 Å²	138	71 Å²	71	52%	0.521	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-37.8	177.4	-76.3	-174.6	-72.1	-94.5	8.6	112	S28 N29 L30 K36	S28-R32 WeakPolarHBondContact O-CG 3.4Å; S28-R32 VanDerWaalsContact O-CZ 3.22Å; S28-R32 PolarHBondContact O-N 3.18Å; S28-R32 PolarHBondContact O-NE 3.34Å; S28-R32 PolarHBondContact O-NH1 2.92Å; N29-R32 WeakPolarHBondContact O-CB 3.33Å; N29-R32 PolarHBondContact O-N 3.28Å; N29-R32 PolarHBondContact OD1-NH2 3.08Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 2.97Å; R32-K36 WeakPolarHBondContact O-CG 3.35Å
33	S	91.4	Very high	79.4	Confident	55 Å²	55	77.5 Å²	77.5	39%	0.385	38%	0.384	S	S	.	.	H	α-helix	trans	-68.5	-48.1	178.4	-65.2	0	0	0	0	111.3	N29 L30 E31 K36 H37	N29-S33 PolarHBondContact O-N 2.7Å; N29-S33 PolarHBondContact O-OG 2.78Å; L30-S33 PolarHBondContact O-N 2.9Å; E31-S33 VanDerWaalsContact C-N 3.33Å; S33-K36 PolarHBondContact O-N 2.76Å; S33-H37 PolarHBondContact O-ND1 2.94Å
34	Y	88.1	Confident	76.9	Confident	23 Å²	23	85.9 Å²	85.9	9%	0.09	42%	0.421	C	S	.	.	H	α-helix	trans	-81.3	-26.5	-175.4	-77.8	-99.7	0	0	0	113.6	L30 K36 H37 S38 D70 V73 N74 G254	L30-Y34 HydrophobicContact CD2-CE2 4.24Å; L30-Y34 WeakPolarHBondContact O-CD2 3.15Å; L30-Y34 PolarHBondContact O-N 2.9Å; Y34-K36 PolarHBondContact O-N 2.84Å; Y34-H37 PolarHBondContact O-N 3.11Å; Y34-S38 PolarHBondContact O-N 2.78Å; Y34-D70 HydrophobicContact CD1-CB 4.03Å; Y34-D70 HydrophobicContact CE1-CB 4.15Å; Y34-D70 WeakPolarHBondContact CE1-OD1 3.4Å; Y34-V73 HydrophobicContact CD1-CB 4.11Å; Y34-V73 HydrophobicContact CD1-CG1 4Å; Y34-V73 HydrophobicContact CD2-CG1 3.82Å; Y34-V73 HydrophobicContact CE1-CB 3.78Å; Y34-V73 HydrophobicContact CE1-CG1 3.85Å; Y34-V73 HydrophobicContact CE1-CG2 3.96Å; Y34-V73 HydrophobicContact CE2-CB 4.48Å; Y34-V73 HydrophobicContact CE2-CG1 3.69Å; Y34-V73 HydrophobicContact CG-CG1 3.98Å; Y34-N74 WeakPolarHBondContact CB-OD1 3.32Å; Y34-G254 PolarHBondContact OH-O 3.46Å
35	S	80.7	Confident	74.1	Confident	66 Å²	66	89.7 Å²	89.7	46%	0.462	45%	0.445	S	S	.	.	H	α-helix	trans	-63.5	-28.2	171	-64.5	0	0	0	0	113.1	E31	E31-S35 WeakPolarHBondContact O-CB 3.41Å; E31-S35 PolarHBondContact O-N 2.97Å; E31-S35 PolarHBondContact O-OG 2.77Å
36	K	71.9	Confident	71.5	Confident	147 Å²	147	92.8 Å²	92.8	64%	0.639	47%	0.47	S	S	*	.	H	α-helix	trans	-72.7	-37.2	178.2	-73.6	174	-177.8	-180	0	111.9	R32 S33 Y34 S38 R39 T40	R32-K36 WeakPolarHBondContact O-CG 3.35Å; S33-K36 PolarHBondContact O-N 2.76Å; Y34-K36 PolarHBondContact O-N 2.84Å; K36-S38 VanDerWaalsContact C-N 3.35Å; K36-S38 PolarHBondContact O-N 3.37Å; K36-R39 PolarHBondContact O-N 3.26Å; K36-T40 PolarHBondContact O-N 2.88Å
37	H	65.7	Low	68.9	Low	96 Å²	96	96.8 Å²	96.8	44%	0.444	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-42.5	178.8	-70.4	79.6	0	0	0	111.1	S33 Y34 R39 T40	S33-H37 PolarHBondContact O-ND1 2.94Å; Y34-H37 PolarHBondContact O-N 3.11Å; H37-R39 VanDerWaalsContact C-N 3.28Å; H37-R39 PolarHBondContact O-N 2.82Å; H37-T40 PolarHBondContact O-N 2.89Å; H37-T40 PolarHBondContact O-OG1 2.83Å
38	S	57.6	Low	66.4	Low	76 Å²	76	101.8 Å²	101.8	53%	0.531	54%	0.535	S	S	.	.	H	α-helix	trans	-62	-31.7	175.6	-179	0	0	0	0	113.6	Y34 K36	Y34-S38 PolarHBondContact O-N 2.78Å; K36-S38 VanDerWaalsContact C-N 3.35Å; K36-S38 PolarHBondContact O-N 3.37Å
39	R	53.6	Low	63.7	Low	202 Å²	202	109.3 Å²	109.3	76%	0.762	57%	0.567	S	S	*	*	H	α-helix	trans	-78.5	-26.2	-179.8	-74.8	-179	128.3	145.2	-0.6	113.7	K36 H37 D41 I42	K36-R39 PolarHBondContact O-N 3.26Å; H37-R39 VanDerWaalsContact C-N 3.28Å; H37-R39 PolarHBondContact O-N 2.82Å; R39-D41 VanDerWaalsContact C-N 3.26Å; R39-D41 PolarHBondContact O-N 2.81Å; R39-I42 PolarHBondContact O-N 2.8Å
40	T	54.9	Low	61.1	Low	96 Å²	96	111.7 Å²	111.7	59%	0.589	59%	0.589	S	S	*	*	H	α-helix	trans	-73	-17.8	-178.6	42	0	0	0	0	113.8	K36 H37	K36-T40 PolarHBondContact O-N 2.88Å; H37-T40 PolarHBondContact O-N 2.89Å; H37-T40 PolarHBondContact O-OG1 2.83Å
41	D	50.9	Low	58.4	Low	116 Å²	116	116.8 Å²	116.8	62%	0.62	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-14.4	178	-70.4	-35.4	0	0	0	114.1	R39	R39-D41 VanDerWaalsContact C-N 3.26Å; R39-D41 PolarHBondContact O-N 2.81Å
42	I	50.2	Low	55.8	Low	132 Å²	132	121 Å²	121	68%	0.677	65%	0.648	S	S	*	*	S	Bend	trans	-88	-14.5	-172.9	-63.5	176.4	0	0	0	113.1	R39	R39-I42 PolarHBondContact O-N 2.8Å
43	H	42.9	Very low	53.1	Low	173 Å²	173	119.9 Å²	119.9	80%	0.801	66%	0.658	S	S	*	*	S	Bend	trans	-113	22.9	-170.4	-109.8	-76.3	0	0	0	116.7
44	K	46	Very low	50.2	Low	183 Å²	183	124.8 Å²	124.8	80%	0.796	68%	0.679	S	S	*	*			trans	-94	11.3	-178.7	-101.5	179.1	-178	170.9	0	117.1
45	N	38.3	Very low	47.8	Very low	160 Å²	160	129.3 Å²	129.3	86%	0.856	71%	0.714	S	S	*	*	S	Bend	trans	-130.6	76.2	173.3	-93.8	-5.5	0	0	0	111.5
46	S	42.1	Very low	45.6	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	73%	0.732	S	S	*	*	S	Bend	trans	-174.6	104.2	151.3	-82.6	0	0	0	0	111.1
47	S	42.2	Very low	43.7	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	73%	0.733	S	S	*	*			trans	53.8	127.3	143.6	50.2	0	0	0	0	122.4
48	S	43.5	Very low	41.9	Very low	105 Å²	105	133.7 Å²	133.7	73%	0.734	75%	0.749	S	S	*	*			trans	79.1	102.5	145.4	50.1	0	0	0	0	121.5
49	E	40.1	Very low	40.7	Very low	188 Å²	188	137.3 Å²	137.3	88%	0.879	76%	0.761	S	S	*	*			trans	44	103.4	130.9	-65.1	-176.6	150.2	0	0	120.2
50	S	39.4	Very low	39.5	Very low	114 Å²	114	132 Å²	132	80%	0.797	77%	0.769	S	S	*	*				165.3	124.5	111.9	50.6	0	0	0	0	113.6
51	S	38.4	Very low	38.3	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	77%	0.773	S	S	*	*			trans	74.2	92.2	140.2	-47.8	0	0	0	0	123.1
52	I	41.2	Very low	37.6	Very low	148 Å²	148	129.1 Å²	129.1	76%	0.759	77%	0.772	S	S	*	*			trans	23	151.6	130.3	5	176.3	0	0	0	120.8	L54	I52-L54 HydrophobicContact CG2-CD1 4.05Å; I52-L54 HydrophobicContact CG2-CG 4.39Å
53	P	35.7	Very low	37.2	Very low	114 Å²	114	128.6 Å²	128.6	74%	0.74	77%	0.771	S	S	*	*			cis	-146.4	147.8	21.1	39	-16	0	0	0	122
54	L	30.1	Very low	37.3	Very low	159 Å²	159	129.5 Å²	129.5	83%	0.832	77%	0.767	S	S	*	*			trans	33.3	111.9	131.2	-66.8	147.2	0	0	0	120.9	I52	I52-L54 HydrophobicContact CG2-CD1 4.05Å; I52-L54 HydrophobicContact CG2-CG 4.39Å
55	S	37.4	Very low	37.6	Very low	118 Å²	118	124.7 Å²	124.7	83%	0.825	75%	0.748	S	S	*	*			trans	-147.4	125.8	133.5	58.4	0	0	0	0	111
56	E	35.9	Very low	38.6	Very low	179 Å²	179	122.2 Å²	122.2	84%	0.836	73%	0.733	S	S	*	*			trans	71.4	77.6	162	-103.4	163.9	175.4	0	0	121.9
57	S	31.1	Very low	39.9	Very low	94 Å²	94	119.5 Å²	119.5	66%	0.657	71%	0.714	S	S	*	*				29.9	111.4	120.8	51	0	0	0	0	122
58	T	28.1	Very low	41.9	Very low	127 Å²	127	118.8 Å²	118.8	78%	0.779	70%	0.702	S	S	*	*				92.4	127.9	112.8	-47.7	0	0	0	0	119
59	I	32.2	Very low	44.2	Very low	152 Å²	152	114.9 Å²	114.9	78%	0.779	67%	0.671	S	S	*	*			trans	100.5	97.2	161.1	-45.2	-175.9	0	0	0	114.7	G61	I59-G61 PolarHBondContact O-N 2.77Å
60	G	28	Very low	46.6	Very low	90 Å²	90	107.4 Å²	107.4	93%	0.928	64%	0.637	S	S	*	*			trans	-56.7	107.6	167.5	0	0	0	0	0	111.4
61	G	30.4	Very low	49.1	Very low	66 Å²	66	106.9 Å²	106.9	68%	0.68	63%	0.625	S	S	*	*			trans	-149.6	108.7	169.3	0	0	0	0	0	107.7	I59	I59-G61 PolarHBondContact O-N 2.77Å
62	S	36.3	Very low	51.7	Low	86 Å²	86	102 Å²	102	60%	0.601	59%	0.59	S	S	*	*			trans	20.2	94.4	171.6	-158.1	0	0	0	0	117.5	R64	S62-R64 PolarHBondContact O-N 2.91Å; S62-R64 WeakPolarHBondContact OG-CG 3.38Å
63	N	41.5	Very low	54.2	Low	121 Å²	121	95 Å²	95	65%	0.647	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	0.9	170.4	-143.9	29.7	0	0	0	113.9	H65	N63-H65 PolarHBondContact O-N 3.08Å
64	R	44.5	Very low	57	Low	192 Å²	192	92 Å²	92	73%	0.725	53%	0.533	S	S	*	.	H	α-helix	trans	-66.3	-25.3	179.9	-65.2	-175.2	177.1	-169.4	-1.6	113	S62 S67 D68	S62-R64 PolarHBondContact O-N 2.91Å; S62-R64 WeakPolarHBondContact OG-CG 3.38Å; R64-S67 PolarHBondContact O-OG 3.24Å; R64-D68 PolarHBondContact O-N 3.33Å
65	H	53.8	Low	60	Low	83 Å²	83	88.9 Å²	88.9	38%	0.384	51%	0.509	S	S	.	.	H	α-helix	trans	-74.1	-32.7	-174.4	-155.7	-52.8	0	0	0	112.6	N63 R337	N63-H65 PolarHBondContact O-N 3.08Å; H65-R337 WeakPolarHBondContact CE1-CB 3.5Å; H65-R337 VanDerWaalsContact CE1-CD 3.47Å; H65-R337 WeakPolarHBondContact CE1-CD 3.34Å; H65-R337 WeakPolarHBondContact CE1-CG 3.28Å; H65-R337 VanDerWaalsContact NE2-CB 3.26Å; H65-R337 WeakPolarHBondContact NE2-CB 2.99Å; H65-R337 WeakPolarHBondContact NE2-CD 3.43Å; H65-R337 WeakPolarHBondContact NE2-CG 3.17Å
66	I	59.6	Low	62.8	Low	108 Å²	108	83.3 Å²	83.3	55%	0.554	47%	0.471	S	S	*	.	H	α-helix	trans	-72	-36.4	179.2	-63.6	173.1	0	0	0	109.8	D68 W69 D70	I66-D68 VanDerWaalsContact C-N 3.31Å; I66-D68 PolarHBondContact O-N 2.87Å; I66-W69 PolarHBondContact O-N 2.99Å; I66-D70 PolarHBondContact O-N 3.37Å
67	S	68.3	Low	65.6	Low	50 Å²	50	75 Å²	75	35%	0.35	43%	0.431	S	S	.	.	H	α-helix	trans	-62.7	-35	178.7	53.5	0	0	0	0	113.5	R64 W69 D70 D71	R64-S67 PolarHBondContact O-OG 3.24Å; S67-W69 VanDerWaalsContact C-N 3.33Å; S67-W69 PolarHBondContact O-N 3.43Å; S67-D70 PolarHBondContact O-N 2.96Å; S67-D71 PolarHBondContact O-N 2.77Å
68	D	84.4	Confident	68.6	Low	92 Å²	92	74 Å²	74	49%	0.492	43%	0.425	S	S	.	.	H	α-helix	trans	-65.2	-37.1	-177.2	-64.6	-9.8	0	0	0	112.1	R64 I66 E72	R64-D68 PolarHBondContact O-N 3.33Å; I66-D68 VanDerWaalsContact C-N 3.31Å; I66-D68 PolarHBondContact O-N 2.87Å; D68-E72 WeakPolarHBondContact O-CB 3.48Å; D68-E72 PolarHBondContact O-N 2.87Å; D68-E72 VanDerWaalsContact O-N 3.13Å
69	W	91	Very high	71.7	Confident	24 Å²	24	69.9 Å²	69.9	9%	0.091	40%	0.397	C	S	.	.	H	α-helix	trans	-73.7	-37.6	175	-178.6	-112.4	0	0	0	112	I66 S67 D71 E72 V73 L250 G254 V256 Y336 I339 F341	I66-W69 PolarHBondContact O-N 2.99Å; S67-W69 VanDerWaalsContact C-N 3.33Å; S67-W69 PolarHBondContact O-N 3.43Å; W69-D71 VanDerWaalsContact C-N 3.29Å; W69-D71 PolarHBondContact O-N 2.81Å; W69-E72 HydrophobicContact CE3-CB 3.93Å; W69-E72 HydrophobicContact CE3-CG 3.84Å; W69-E72 HydrophobicContact CZ3-CB 4.26Å; W69-E72 HydrophobicContact CZ3-CG 3.67Å; W69-E72 WeakPolarHBondContact O-CB 3.36Å; W69-E72 PolarHBondContact O-N 2.97Å; W69-V73 HydrophobicContact CD2-CG2 4.16Å; W69-V73 HydrophobicContact CG-CG2 4.46Å; W69-V73 HydrophobicContact CZ2-CG2 3.89Å; W69-V73 WeakPolarHBondContact O-CG2 3.28Å; W69-V73 PolarHBondContact O-N 3.13Å; W69-L250 HydrophobicContact CH2-CD2 3.86Å; W69-L250 HydrophobicContact CZ2-CD2 3.56Å; W69-G254 PolarHBondContact NE1-O 2.87Å; W69-V256 HydrophobicContact CH2-CG2 3.87Å; W69-V256 HydrophobicContact CZ2-CG2 4.27Å; W69-Y336 AromaticContact CD2-CD1 3.71Å; W69-Y336 HydrophobicContact CD2-CD1 3.71Å; W69-Y336 HydrophobicContact CD2-CG 4.08Å; W69-Y336 AromaticContact CE2-CD1 3.49Å; W69-Y336 VanDerWaalsContact CE2-CD1 3.49Å; W69-Y336 AromaticContact CE2-CE1 3.85Å; W69-Y336 AromaticContact CE3-CD1 3.88Å; W69-Y336 HydrophobicContact CE3-CD1 3.88Å; W69-Y336 HydrophobicContact CE3-CG 4.41Å; W69-Y336 HydrophobicContact CG-CD1 4.45Å; W69-Y336 HydrophobicContact CG-CG 4.39Å; W69-Y336 AromaticContact CH2-CD1 3.66Å; W69-Y336 HydrophobicContact CH2-CD1 3.66Å; W69-Y336 AromaticContact CH2-CE1 3.95Å; W69-Y336 HydrophobicContact CH2-CE1 3.95Å; W69-Y336 AromaticContact CZ2-CD1 3.47Å; W69-Y336 HydrophobicContact CZ2-CD1 3.47Å; W69-Y336 VanDerWaalsContact CZ2-CD1 3.47Å; W69-Y336 AromaticContact CZ2-CE1 3.53Å; W69-Y336 HydrophobicContact CZ2-CE1 3.53Å; W69-Y336 AromaticContact CZ3-CD1 3.87Å; W69-Y336 HydrophobicContact CZ3-CD1 3.87Å; W69-I339 HydrophobicContact CH2-CG2 3.96Å; W69-I339 HydrophobicContact CZ3-CB 4.14Å; W69-I339 HydrophobicContact CZ3-CG2 3.77Å; W69-F341 HydrophobicContact CH2-CE2 4.04Å
70	D	91.8	Very high	74.7	Confident	31 Å²	31	62.6 Å²	62.6	17%	0.166	36%	0.359	C	S	.	.	H	α-helix	trans	-61.9	-39.7	176.3	-68	-8.8	0	0	0	111.4	Y34 I66 S67 V73 N74	Y34-D70 HydrophobicContact CD1-CB 4.03Å; Y34-D70 HydrophobicContact CE1-CB 4.15Å; Y34-D70 WeakPolarHBondContact CE1-OD1 3.4Å; I66-D70 PolarHBondContact O-N 3.37Å; S67-D70 PolarHBondContact O-N 2.96Å; D70-V73 PolarHBondContact O-N 2.86Å; D70-N74 WeakPolarHBondContact O-CB 3.31Å; D70-N74 VanDerWaalsContact O-CG 3.29Å; D70-N74 PolarHBondContact O-N 2.78Å; D70-N74 PolarHBondContact O-ND2 3.28Å
71	D	90.9	Very high	77.9	Confident	102 Å²	102	62.8 Å²	62.8	55%	0.545	33%	0.332	S	S	.	.	H	α-helix	trans	-65.4	-40.9	174.2	-73.3	-23.7	0	0	0	112	S67 W69 N74 R75	S67-D71 PolarHBondContact O-N 2.77Å; W69-D71 VanDerWaalsContact C-N 3.29Å; W69-D71 PolarHBondContact O-N 2.81Å; D71-N74 PolarHBondContact O-N 2.66Å; D71-R75 VanDerWaalsContact O-CB 3.31Å; D71-R75 WeakPolarHBondContact O-CB 3.24Å; D71-R75 PolarHBondContact O-N 3.44Å
72	E	92.9	Very high	81	Confident	6 Å²	6	64.6 Å²	64.6	3%	0.028	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-47	174.4	-172.8	67.9	-154.6	0	0	111.6	D68 W69 R75 W76 T340 F341	D68-E72 WeakPolarHBondContact O-CB 3.48Å; D68-E72 PolarHBondContact O-N 2.87Å; D68-E72 VanDerWaalsContact O-N 3.13Å; W69-E72 HydrophobicContact CE3-CB 3.93Å; W69-E72 HydrophobicContact CE3-CG 3.84Å; W69-E72 HydrophobicContact CZ3-CB 4.26Å; W69-E72 HydrophobicContact CZ3-CG 3.67Å; W69-E72 WeakPolarHBondContact O-CB 3.36Å; W69-E72 PolarHBondContact O-N 2.97Å; E72-R75 PolarHBondContact O-N 2.82Å; E72-R75 IonicContact OE1-CZ 3.1Å; E72-R75 IonicContact OE1-NH1 2.62Å; E72-R75 IonicContact OE1-NH2 2.87Å; E72-R75 PolarHBondContact OE1-NH2 2.79Å; E72-R75 IonicContact OE2-CZ 2.79Å; E72-R75 IonicContact OE2-NH1 3.72Å; E72-R75 PolarHBondContact OE2-NH1 3.1Å; E72-R75 IonicContact OE2-NH2 2.66Å; E72-R75 PolarHBondContact OE2-NH2 2.88Å; E72-W76 WeakPolarHBondContact O-CB 3.5Å; E72-W76 PolarHBondContact O-N 3.26Å; E72-T340 VanDerWaalsContact OE1-CA 3.25Å; E72-T340 WeakPolarHBondContact OE1-CA 3.34Å; E72-F341 PolarHBondContact OE1-N 3.13Å
73	V	94.4	Very high	83.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-47.2	177.7	172.5	0	0	0	0	111	Y34 W69 D70 R75 W76 I77 L250	Y34-V73 HydrophobicContact CD1-CB 4.11Å; Y34-V73 HydrophobicContact CD1-CG1 4Å; Y34-V73 HydrophobicContact CD2-CG1 3.82Å; Y34-V73 HydrophobicContact CE1-CB 3.78Å; Y34-V73 HydrophobicContact CE1-CG1 3.85Å; Y34-V73 HydrophobicContact CE1-CG2 3.96Å; Y34-V73 HydrophobicContact CE2-CB 4.48Å; Y34-V73 HydrophobicContact CE2-CG1 3.69Å; Y34-V73 HydrophobicContact CG-CG1 3.98Å; W69-V73 HydrophobicContact CD2-CG2 4.16Å; W69-V73 HydrophobicContact CG-CG2 4.46Å; W69-V73 HydrophobicContact CZ2-CG2 3.89Å; W69-V73 WeakPolarHBondContact O-CG2 3.28Å; W69-V73 PolarHBondContact O-N 3.13Å; D70-V73 PolarHBondContact O-N 2.86Å; V73-R75 VanDerWaalsContact C-N 3.29Å; V73-R75 PolarHBondContact O-N 3.13Å; V73-W76 PolarHBondContact O-N 2.91Å; V73-I77 HydrophobicContact CG1-CD1 3.86Å; V73-I77 HydrophobicContact CG1-CG1 4.36Å; V73-I77 VanDerWaalsContact O-CG1 3.25Å; V73-I77 WeakPolarHBondContact O-CG1 3.24Å; V73-I77 PolarHBondContact O-N 3.44Å; V73-L250 HydrophobicContact CB-CD1 4.17Å; V73-L250 HydrophobicContact CG1-CD1 3.9Å; V73-L250 HydrophobicContact CG2-CD1 3.85Å; V73-L250 HydrophobicContact CG2-CD2 4.49Å
74	N	93.7	Very high	86.3	Confident	53 Å²	53	59.7 Å²	59.7	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-61	-39.1	178.1	-75.8	-43.5	0	0	0	112.2	Y34 D70 D71 S78	Y34-N74 WeakPolarHBondContact CB-OD1 3.32Å; D70-N74 WeakPolarHBondContact O-CB 3.31Å; D70-N74 VanDerWaalsContact O-CG 3.29Å; D70-N74 PolarHBondContact O-N 2.78Å; D70-N74 PolarHBondContact O-ND2 3.28Å; D71-N74 PolarHBondContact O-N 2.66Å; N74-S78 WeakPolarHBondContact O-CB 3.38Å; N74-S78 PolarHBondContact O-N 2.9Å; N74-S78 PolarHBondContact O-OG 3.17Å
75	R	93.7	Very high	88.8	Confident	92 Å²	92	55 Å²	55	35%	0.347	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-49.8	174	-172.1	-179.5	78	-115.4	4.2	110.9	D71 E72 V73 I77 S78 E79 F341	D71-R75 VanDerWaalsContact O-CB 3.31Å; D71-R75 WeakPolarHBondContact O-CB 3.24Å; D71-R75 PolarHBondContact O-N 3.44Å; E72-R75 PolarHBondContact O-N 2.82Å; E72-R75 IonicContact OE1-CZ 3.1Å; E72-R75 IonicContact OE1-NH1 2.62Å; E72-R75 IonicContact OE1-NH2 2.87Å; E72-R75 PolarHBondContact OE1-NH2 2.79Å; E72-R75 IonicContact OE2-CZ 2.79Å; E72-R75 IonicContact OE2-NH1 3.72Å; E72-R75 PolarHBondContact OE2-NH1 3.1Å; E72-R75 IonicContact OE2-NH2 2.66Å; E72-R75 PolarHBondContact OE2-NH2 2.88Å; V73-R75 VanDerWaalsContact C-N 3.29Å; V73-R75 PolarHBondContact O-N 3.13Å; R75-I77 VanDerWaalsContact C-N 3.33Å; R75-I77 PolarHBondContact O-N 3.46Å; R75-S78 PolarHBondContact O-N 2.89Å; R75-E79 WeakPolarHBondContact CD-OE1 3.25Å; R75-E79 HydrophobicContact CG-CG 4.3Å; R75-E79 WeakPolarHBondContact CG-OE1 3.47Å; R75-E79 IonicContact NE-OE1 3.34Å; R75-E79 WeakPolarHBondContact O-CB 3.38Å; R75-E79 WeakPolarHBondContact O-CG 3.27Å; R75-E79 PolarHBondContact O-N 3.36Å; R75-F341 PolarHBondContact NH2-O 2.93Å
76	W	95.4	Very high	90.7	Very high	2 Å²	2	57 Å²	57	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-57.1	-44.4	178.5	179.1	94	0	0	0	112.4	M26 L27 L30 E72 V73 T80 L250 F341	M26-W76 HydrophobicContact SD-CH2 4.19Å; L27-W76 HydrophobicContact CD2-CE3 4.19Å; L27-W76 HydrophobicContact CD2-CH2 3.92Å; L27-W76 HydrophobicContact CD2-CZ3 3.41Å; L27-W76 VanDerWaalsContact CD2-CZ3 3.41Å; L30-W76 HydrophobicContact CD1-CZ3 3.92Å; E72-W76 WeakPolarHBondContact O-CB 3.5Å; E72-W76 PolarHBondContact O-N 3.26Å; V73-W76 PolarHBondContact O-N 2.91Å; W76-T80 VanDerWaalsContact O-CB 3.27Å; W76-T80 WeakPolarHBondContact O-CB 3.18Å; W76-T80 PolarHBondContact O-N 3.17Å; W76-T80 PolarHBondContact O-OG1 3.42Å; W76-L250 HydrophobicContact CB-CD1 4.16Å; W76-L250 HydrophobicContact CD2-CB 4.45Å; W76-L250 HydrophobicContact CD2-CD1 3.72Å; W76-L250 HydrophobicContact CD2-CG 4.14Å; W76-L250 HydrophobicContact CE3-CB 4.29Å; W76-L250 HydrophobicContact CE3-CD1 3.62Å; W76-L250 HydrophobicContact CE3-CG 4.28Å; W76-L250 HydrophobicContact CG-CD1 3.95Å; W76-L250 HydrophobicContact CG-CG 4.47Å; W76-L250 HydrophobicContact CH2-CB 4.08Å; W76-L250 HydrophobicContact CZ2-CB 4.26Å; W76-L250 HydrophobicContact CZ3-CB 4.08Å; W76-L250 HydrophobicContact CZ3-CD1 4.19Å; W76-F341 AromaticContact CD1-CD2 3.91Å; W76-F341 AromaticContact CD1-CG 3.66Å; W76-F341 HydrophobicContact CG-CD2 4.49Å
77	I	95.2	Very high	92.3	Very high	3 Å²	3	52 Å²	52	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-51.5	176.4	-68.6	167.1	0	0	0	110.2	L30 E31 V73 R75 E79 T80 R81	L30-I77 HydrophobicContact CB-CD1 3.7Å; L30-I77 HydrophobicContact CB-CG1 4.25Å; E31-I77 HydrophobicContact CG-CD1 4.24Å; E31-I77 HydrophobicContact CG-CG2 3.4Å; E31-I77 WeakPolarHBondContact OE1-CG2 3.5Å; V73-I77 HydrophobicContact CG1-CD1 3.86Å; V73-I77 HydrophobicContact CG1-CG1 4.36Å; V73-I77 VanDerWaalsContact O-CG1 3.25Å; V73-I77 WeakPolarHBondContact O-CG1 3.24Å; V73-I77 PolarHBondContact O-N 3.44Å; R75-I77 VanDerWaalsContact C-N 3.33Å; R75-I77 PolarHBondContact O-N 3.46Å; I77-E79 VanDerWaalsContact C-N 3.35Å; I77-E79 PolarHBondContact O-N 3.49Å; I77-T80 PolarHBondContact O-N 2.98Å; I77-R81 WeakPolarHBondContact O-CG 3.3Å; I77-R81 PolarHBondContact O-N 2.9Å
78	S	94.2	Very high	93.6	Very high	74 Å²	74	49.9 Å²	49.9	52%	0.517	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-45.3	-176.3	-60.2	0	0	0	0	111.4	N74 R75 R81 S82	N74-S78 WeakPolarHBondContact O-CB 3.38Å; N74-S78 PolarHBondContact O-N 2.9Å; N74-S78 PolarHBondContact O-OG 3.17Å; R75-S78 PolarHBondContact O-N 2.89Å; S78-R81 PolarHBondContact O-N 3.4Å; S78-S82 WeakPolarHBondContact O-CB 3.34Å; S78-S82 PolarHBondContact O-N 2.92Å
79	E	94.2	Very high	94.1	Very high	40 Å²	40	51.7 Å²	51.7	19%	0.187	26%	0.264	C	S	.	.	H	α-helix	trans	-69.7	-37.4	179.1	-70.1	176.5	-172.9	0	0	112.4	R75 I77 R81 S82 K83 R345	R75-E79 WeakPolarHBondContact CD-OE1 3.25Å; R75-E79 HydrophobicContact CG-CG 4.3Å; R75-E79 WeakPolarHBondContact CG-OE1 3.47Å; R75-E79 IonicContact NE-OE1 3.34Å; R75-E79 WeakPolarHBondContact O-CB 3.38Å; R75-E79 WeakPolarHBondContact O-CG 3.27Å; R75-E79 PolarHBondContact O-N 3.36Å; I77-E79 VanDerWaalsContact C-N 3.35Å; I77-E79 PolarHBondContact O-N 3.49Å; E79-R81 VanDerWaalsContact C-N 3.33Å; E79-S82 PolarHBondContact O-N 2.63Å; E79-K83 PolarHBondContact O-N 2.69Å; E79-R345 PolarHBondContact O-NH1 3.06Å; E79-R345 IonicContact OE2-CZ 3.77Å; E79-R345 IonicContact OE2-NH2 3.82Å; E79-R345 PolarHBondContact OE2-NH2 3.12Å
80	T	94.8	Very high	94.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.7	-38.6	175.2	-59.1	0	0	0	0	111.3	L27 W76 I77 W84 D87	L27-T80 HydrophobicContact CD1-CG2 3.88Å; L27-T80 HydrophobicContact CD2-CG2 3.99Å; W76-T80 VanDerWaalsContact O-CB 3.27Å; W76-T80 WeakPolarHBondContact O-CB 3.18Å; W76-T80 PolarHBondContact O-N 3.17Å; W76-T80 PolarHBondContact O-OG1 3.42Å; I77-T80 PolarHBondContact O-N 2.98Å; T80-W84 VanDerWaalsContact O-CA 3.27Å; T80-W84 WeakPolarHBondContact O-CA 3.26Å; T80-W84 PolarHBondContact O-N 2.62Å; T80-W84 VanDerWaalsContact O-N 3.13Å; T80-D87 WeakPolarHBondContact CA-OD2 3.24Å
81	R	94.7	Very high	94.3	Very high	94 Å²	94	52.3 Å²	52.3	36%	0.355	27%	0.265	S	S	.	.	H	α-helix	trans	-67.8	-42.1	172.7	-73.9	-164.9	177.7	-78	5.8	112	L27 S28 E31 I77 S78 E79	L27-R81 HydrophobicContact CD1-CG 4.24Å; S28-R81 PolarHBondContact OG-NH2 3.19Å; S28-R81 VanDerWaalsContact OG-NH2 3.11Å; E31-R81 VanDerWaalsContact OE1-CD 3.29Å; E31-R81 WeakPolarHBondContact OE1-CD 3.36Å; E31-R81 IonicContact OE1-CZ 2.63Å; E31-R81 IonicContact OE1-NE 3.76Å; E31-R81 PolarHBondContact OE1-NE 3.09Å; E31-R81 IonicContact OE1-NH2 3.28Å; E31-R81 IonicContact OE2-CZ 2.92Å; E31-R81 IonicContact OE2-NE 2.69Å; E31-R81 PolarHBondContact OE2-NE 3.38Å; E31-R81 IonicContact OE2-NH2 3.83Å; E31-R81 PolarHBondContact OE2-NH2 2.93Å; I77-R81 WeakPolarHBondContact O-CG 3.3Å; I77-R81 PolarHBondContact O-N 2.9Å; S78-R81 PolarHBondContact O-N 3.4Å; E79-R81 VanDerWaalsContact C-N 3.33Å
82	S	95.7	Very high	94.4	Very high	104 Å²	104	51.9 Å²	51.9	73%	0.727	26%	0.255	S	S	*	.	H	α-helix	trans	-66	-36.7	-179.3	-171.8	0	0	0	0	112.6	S78 E79	S78-S82 WeakPolarHBondContact O-CB 3.34Å; S78-S82 PolarHBondContact O-N 2.92Å; E79-S82 PolarHBondContact O-N 2.63Å
83	K	94.9	Very high	94.3	Very high	59 Å²	59	58.4 Å²	58.4	26%	0.257	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	29	-179.1	-56	-169.9	-164.9	168.9	0	112.5	E79 S85 E86 D87 D343	E79-K83 PolarHBondContact O-N 2.69Å; K83-S85 VanDerWaalsContact C-N 3.34Å; K83-S85 PolarHBondContact O-N 2.97Å; K83-S85 VanDerWaalsContact O-N 3.17Å; K83-E86 PolarHBondContact O-N 3.18Å; K83-D87 PolarHBondContact O-N 3.02Å; K83-D343 PolarHBondContact NZ-O 2.63Å; K83-D343 IonicContact NZ-OD2 2.61Å; K83-D343 PolarHBondContact NZ-OD2 3.42Å
84	W	94.6	Very high	94	Very high	44 Å²	44	60.4 Å²	60.4	17%	0.167	30%	0.3	C	S	.	.	H	α-helix	trans	-47.5	-50.2	-172.8	174.6	-94.5	0	0	0	114.1	E20 R23 K24 L27 T80 E86 D87 M88	E20-W84 HydrophobicContact CB-CZ2 4.09Å; E20-W84 HydrophobicContact CG-CZ2 4.28Å; R23-W84 HydrophobicContact CB-CH2 4.09Å; R23-W84 HydrophobicContact CG-CH2 4.17Å; R23-W84 HydrophobicContact CG-CZ3 4.12Å; K24-W84 HydrophobicContact CB-CH2 4.4Å; K24-W84 HydrophobicContact CD-CH2 4.33Å; K24-W84 HydrophobicContact CD-CZ2 4.18Å; K24-W84 VanDerWaalsContact CE-CZ2 3.43Å; K24-W84 HydrophobicContact CG-CH2 3.38Å; K24-W84 HydrophobicContact CG-CZ2 3.71Å; K24-W84 HydrophobicContact CG-CZ3 3.94Å; L27-W84 HydrophobicContact CD1-CE3 4.09Å; L27-W84 HydrophobicContact CD1-CZ3 3.69Å; T80-W84 VanDerWaalsContact O-CA 3.27Å; T80-W84 WeakPolarHBondContact O-CA 3.26Å; T80-W84 PolarHBondContact O-N 2.62Å; T80-W84 VanDerWaalsContact O-N 3.13Å; W84-E86 PolarHBondContact O-N 3.18Å; W84-D87 PolarHBondContact O-N 2.93Å; W84-M88 HydrophobicContact CD2-CE 3.86Å; W84-M88 HydrophobicContact CD2-CG 4.09Å; W84-M88 HydrophobicContact CD2-SD 4.37Å; W84-M88 VanDerWaalsContact CE2-CG 3.49Å; W84-M88 HydrophobicContact CE3-CE 3.63Å; W84-M88 HydrophobicContact CE3-SD 4.45Å; W84-M88 HydrophobicContact CG-CG 4.47Å; W84-M88 HydrophobicContact CH2-CE 3.7Å; W84-M88 HydrophobicContact CH2-CG 4.3Å; W84-M88 HydrophobicContact CH2-SD 3.56Å; W84-M88 VanDerWaalsContact CH2-SD 3.56Å; W84-M88 HydrophobicContact CZ2-CE 3.95Å; W84-M88 HydrophobicContact CZ2-CG 3.62Å; W84-M88 HydrophobicContact CZ2-SD 3.46Å; W84-M88 WeakPolarHBondContact CZ2-SD 3.29Å; W84-M88 HydrophobicContact CZ3-CE 3.55Å; W84-M88 HydrophobicContact CZ3-SD 4.08Å; W84-M88 WeakPolarHBondContact O-CG 3.04Å; W84-M88 PolarHBondContact O-N 3.48Å
85	S	95.7	Very high	94	Very high	95 Å²	95	59.2 Å²	59.2	66%	0.664	29%	0.293	S	S	*	.	H	α-helix	trans	-65.4	-39.4	-177.1	-62.1	0	0	0	0	112.8	K83 K89	K83-S85 VanDerWaalsContact C-N 3.34Å; K83-S85 PolarHBondContact O-N 2.97Å; K83-S85 VanDerWaalsContact O-N 3.17Å; S85-K89 VanDerWaalsContact O-CB 3.27Å; S85-K89 WeakPolarHBondContact O-CB 3.45Å; S85-K89 PolarHBondContact O-N 2.87Å
86	E	94.9	Very high	94	Very high	124 Å²	124	56.1 Å²	56.1	58%	0.579	28%	0.282	S	S	*	.	H	α-helix	trans	-68.2	-41.4	177.7	-61.3	-176.8	140.5	0	0	110.6	K83 W84 K89 R90	K83-E86 PolarHBondContact O-N 3.18Å; W84-E86 PolarHBondContact O-N 3.18Å; E86-K89 PolarHBondContact O-N 3.37Å; E86-R90 WeakPolarHBondContact O-CB 3.33Å; E86-R90 PolarHBondContact O-N 2.85Å
87	D	93.2	Very high	93.7	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.011	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-45.7	176.6	-70.9	-19.4	0	0	0	112.5	T80 K83 W84 K89 R90 M91 R345	T80-D87 WeakPolarHBondContact CA-OD2 3.24Å; K83-D87 PolarHBondContact O-N 3.02Å; W84-D87 PolarHBondContact O-N 2.93Å; D87-K89 VanDerWaalsContact C-N 3.32Å; D87-K89 PolarHBondContact O-N 2.67Å; D87-R90 PolarHBondContact O-N 3.06Å; D87-R90 IonicContact OD1-CZ 3.69Å; D87-R90 IonicContact OD1-NH1 3.52Å; D87-R90 PolarHBondContact OD1-NH1 3.21Å; D87-R90 IonicContact OD1-NH2 2.81Å; D87-R90 PolarHBondContact OD1-NH2 3.39Å; D87-M91 HydrophobicContact CB-CE 4.46Å; D87-M91 WeakPolarHBondContact O-CE 3.35Å; D87-M91 WeakPolarHBondContact O-CG 3.25Å; D87-M91 PolarHBondContact O-N 3.1Å; D87-R345 WeakPolarHBondContact OD1-CD 3.46Å; D87-R345 WeakPolarHBondContact OD2-CD 3.27Å
88	M	95.3	Very high	93.4	Very high	7 Å²	7	59.6 Å²	59.6	3%	0.034	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-42.5	177.6	-69.5	-37.6	96.6	0	0	110.9	E20 W84 M91 R92	E20-M88 HydrophobicContact CG-CG 4.13Å; E20-M88 HydrophobicContact CG-SD 4.18Å; W84-M88 HydrophobicContact CD2-CE 3.86Å; W84-M88 HydrophobicContact CD2-CG 4.09Å; W84-M88 HydrophobicContact CD2-SD 4.37Å; W84-M88 VanDerWaalsContact CE2-CG 3.49Å; W84-M88 HydrophobicContact CE3-CE 3.63Å; W84-M88 HydrophobicContact CE3-SD 4.45Å; W84-M88 HydrophobicContact CG-CG 4.47Å; W84-M88 HydrophobicContact CH2-CE 3.7Å; W84-M88 HydrophobicContact CH2-CG 4.3Å; W84-M88 HydrophobicContact CH2-SD 3.56Å; W84-M88 VanDerWaalsContact CH2-SD 3.56Å; W84-M88 HydrophobicContact CZ2-CE 3.95Å; W84-M88 HydrophobicContact CZ2-CG 3.62Å; W84-M88 HydrophobicContact CZ2-SD 3.46Å; W84-M88 WeakPolarHBondContact CZ2-SD 3.29Å; W84-M88 HydrophobicContact CZ3-CE 3.55Å; W84-M88 HydrophobicContact CZ3-SD 4.08Å; W84-M88 WeakPolarHBondContact O-CG 3.04Å; W84-M88 PolarHBondContact O-N 3.48Å; M88-M91 HydrophobicContact CE-CE 3.19Å; M88-M91 PolarHBondContact O-N 2.91Å; M88-M91 HydrophobicContact SD-CE 3.56Å; M88-M91 VanDerWaalsContact SD-CE 3.56Å; M88-R92 WeakPolarHBondContact O-CG 3.3Å; M88-R92 PolarHBondContact O-N 3.1Å
89	K	94.6	Very high	92.9	Very high	130 Å²	130	60.5 Å²	60.5	57%	0.565	31%	0.305	S	S	*	.	H	α-helix	trans	-61.2	-48.5	177.5	-177	-179.2	176.8	-174.6	0	110.9	S85 E86 D87 R92 Q93	S85-K89 VanDerWaalsContact O-CB 3.27Å; S85-K89 WeakPolarHBondContact O-CB 3.45Å; S85-K89 PolarHBondContact O-N 2.87Å; E86-K89 PolarHBondContact O-N 3.37Å; D87-K89 VanDerWaalsContact C-N 3.32Å; D87-K89 PolarHBondContact O-N 2.67Å; K89-R92 PolarHBondContact O-N 3.11Å; K89-Q93 WeakPolarHBondContact O-CB 3.24Å; K89-Q93 VanDerWaalsContact O-CG 3.28Å; K89-Q93 WeakPolarHBondContact O-CG 3.43Å; K89-Q93 PolarHBondContact O-N 2.86Å
90	R	92.5	Very high	92.3	Very high	60 Å²	60	62.4 Å²	62.4	23%	0.226	32%	0.321	C	S	.	.	H	α-helix	trans	-57.6	-50.9	178.1	-176.8	176.5	65.9	-94.3	-4.3	111.1	E86 D87 R92 Q93 S94 D344	E86-R90 WeakPolarHBondContact O-CB 3.33Å; E86-R90 PolarHBondContact O-N 2.85Å; D87-R90 PolarHBondContact O-N 3.06Å; D87-R90 IonicContact OD1-CZ 3.69Å; D87-R90 IonicContact OD1-NH1 3.52Å; D87-R90 PolarHBondContact OD1-NH1 3.21Å; D87-R90 IonicContact OD1-NH2 2.81Å; D87-R90 PolarHBondContact OD1-NH2 3.39Å; R90-R92 VanDerWaalsContact C-N 3.33Å; R90-R92 PolarHBondContact O-N 3.46Å; R90-Q93 PolarHBondContact O-N 2.74Å; R90-S94 PolarHBondContact O-N 2.83Å; R90-S94 PolarHBondContact O-OG 2.81Å; R90-D344 PolarHBondContact NE-O 2.84Å; R90-D344 PolarHBondContact NH2-O 2.84Å
91	M	94.4	Very high	91.6	Very high	8 Å²	8	64.1 Å²	64.1	4%	0.039	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-34.9	-179.5	-72.2	-176.6	-74.5	0	0	113.5	F19 R23 D87 M88 S94 M95	F19-M91 HydrophobicContact CE1-CB 4.1Å; F19-M91 HydrophobicContact CE1-CE 4.32Å; F19-M91 HydrophobicContact CE1-SD 4.45Å; F19-M91 HydrophobicContact CZ-CB 4Å; F19-M91 HydrophobicContact CZ-CE 4.11Å; F19-M91 HydrophobicContact CZ-SD 3.76Å; R23-M91 VanDerWaalsContact CZ-CE 3.41Å; R23-M91 PolarHBondContact NH1-SD 2.88Å; D87-M91 HydrophobicContact CB-CE 4.46Å; D87-M91 WeakPolarHBondContact O-CE 3.35Å; D87-M91 WeakPolarHBondContact O-CG 3.25Å; D87-M91 PolarHBondContact O-N 3.1Å; M88-M91 HydrophobicContact CE-CE 3.19Å; M88-M91 PolarHBondContact O-N 2.91Å; M88-M91 HydrophobicContact SD-CE 3.56Å; M88-M91 VanDerWaalsContact SD-CE 3.56Å; M91-S94 WeakPolarHBondContact CA-OG 3.45Å; M91-S94 PolarHBondContact O-N 2.9Å; M91-S94 PolarHBondContact O-OG 2.87Å; M91-S94 VanDerWaalsContact O-OG 3.08Å; M91-M95 WeakPolarHBondContact O-CG 3.34Å; M91-M95 PolarHBondContact O-N 2.64Å
92	R	93.7	Very high	90	Very high	93 Å²	93	63.6 Å²	63.6	35%	0.351	34%	0.336	S	S	.	.	H	α-helix	trans	-70.4	-36.2	175	-74.4	-167.7	179.9	-74.6	5.7	112.2	F19 E20 M88 K89 R90 S94 M95 D322	F19-R92 HydrophobicContact CE1-CG 4.49Å; E20-R92 IonicContact OE1-NE 3.4Å; E20-R92 IonicContact OE1-NH2 2.66Å; M88-R92 WeakPolarHBondContact O-CG 3.3Å; M88-R92 PolarHBondContact O-N 3.1Å; K89-R92 PolarHBondContact O-N 3.11Å; R90-R92 VanDerWaalsContact C-N 3.33Å; R90-R92 PolarHBondContact O-N 3.46Å; R92-S94 VanDerWaalsContact C-N 3.28Å; R92-M95 HydrophobicContact CB-CE 4.48Å; R92-M95 HydrophobicContact CG-CE 3.89Å; R92-M95 HydrophobicContact CG-SD 4.43Å; R92-M95 PolarHBondContact O-N 2.63Å; R92-D322 IonicContact CZ-OD2 3.95Å; R92-D322 IonicContact NH1-OD2 3.76Å; R92-D322 IonicContact NH2-OD2 3.8Å; R92-D322 PolarHBondContact NH2-OD2 2.51Å
93	Q	90.3	Very high	87.9	Confident	142 Å²	142	66.8 Å²	66.8	66%	0.664	34%	0.344	S	S	*	.	H	α-helix	trans	-70.6	-25.3	175.5	-71.7	177.2	-33.8	0	0	112.7	K89 R90	K89-Q93 WeakPolarHBondContact O-CB 3.24Å; K89-Q93 VanDerWaalsContact O-CG 3.28Å; K89-Q93 WeakPolarHBondContact O-CG 3.43Å; K89-Q93 PolarHBondContact O-N 2.86Å; R90-Q93 PolarHBondContact O-N 2.74Å
94	S	89.3	Confident	85.3	Confident	43 Å²	43	67.6 Å²	67.6	30%	0.301	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	3.5	177.8	76.1	0	0	0	0	113.9	R90 M91 R92	R90-S94 PolarHBondContact O-N 2.83Å; R90-S94 PolarHBondContact O-OG 2.81Å; M91-S94 WeakPolarHBondContact CA-OG 3.45Å; M91-S94 PolarHBondContact O-N 2.9Å; M91-S94 PolarHBondContact O-OG 2.87Å; M91-S94 VanDerWaalsContact O-OG 3.08Å; R92-S94 VanDerWaalsContact C-N 3.28Å
95	M	93.7	Very high	82.8	Confident	27 Å²	27	68.8 Å²	68.8	13%	0.133	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-70.3	136.4	175.6	-69.5	175.8	-175	0	0	110.2	F19 M91 R92 R261 D263 V324	F19-M95 HydrophobicContact CD1-CE 3.71Å; F19-M95 HydrophobicContact CE1-CE 3.58Å; F19-M95 HydrophobicContact CE2-CE 4.43Å; F19-M95 HydrophobicContact CG-CE 4.2Å; F19-M95 HydrophobicContact CZ-CE 3.95Å; M91-M95 WeakPolarHBondContact O-CG 3.34Å; M91-M95 PolarHBondContact O-N 2.64Å; R92-M95 HydrophobicContact CB-CE 4.48Å; R92-M95 HydrophobicContact CG-CE 3.89Å; R92-M95 HydrophobicContact CG-SD 4.43Å; R92-M95 PolarHBondContact O-N 2.63Å; M95-R261 WeakPolarHBondContact CA-O 3.36Å; M95-R261 HydrophobicContact CG-CB 3.9Å; M95-D263 HydrophobicContact CB-CB 4.44Å; M95-V324 HydrophobicContact CE-CB 4.34Å; M95-V324 HydrophobicContact CE-CG1 3.56Å; M95-V324 HydrophobicContact CE-CG2 3.79Å; M95-V324 HydrophobicContact SD-CG1 3.89Å; M95-V324 HydrophobicContact SD-CG2 3.96Å
96	F	92.2	Very high	80.1	Confident	28 Å²	28	70.6 Å²	70.6	12%	0.123	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.7	170.9	-69.4	-70.5	0	0	0	110.7	F243 V260 R261 F262 D263 R302 V304	F96-F243 HydrophobicContact CE1-CB 4.46Å; F96-F243 HydrophobicContact CE2-CB 4.19Å; F96-F243 HydrophobicContact CE2-CD2 4.25Å; F96-F243 HydrophobicContact CE2-CG 4.1Å; F96-F243 HydrophobicContact CZ-CB 3.58Å; F96-F243 AromaticContact CZ-CD1 3.69Å; F96-F243 HydrophobicContact CZ-CD1 3.69Å; F96-F243 HydrophobicContact CZ-CD2 4.13Å; F96-F243 HydrophobicContact CZ-CE1 4.4Å; F96-F243 AromaticContact CZ-CG 3.54Å; F96-F243 HydrophobicContact CZ-CG 3.54Å; F96-V260 HydrophobicContact CE2-CB 4.47Å; F96-V260 HydrophobicContact CE2-CG1 4.47Å; F96-R261 PolarHBondContact N-O 3.07Å; F96-F262 HydrophobicContact CB-CD1 3.42Å; F96-F262 VanDerWaalsContact CB-CD1 3.42Å; F96-F262 HydrophobicContact CB-CE1 3.63Å; F96-F262 HydrophobicContact CB-CG 4.05Å; F96-F262 HydrophobicContact CB-CZ 4.39Å; F96-F262 HydrophobicContact CD2-CD1 4.44Å; F96-F262 HydrophobicContact CD2-CE1 4.04Å; F96-F262 HydrophobicContact CD2-CE2 4.34Å; F96-F262 AromaticContact CD2-CZ 3.98Å; F96-F262 HydrophobicContact CD2-CZ 3.98Å; F96-F262 HydrophobicContact CG-CD1 4.29Å; F96-F262 HydrophobicContact CG-CE1 4.03Å; F96-F262 HydrophobicContact CG-CZ 4.43Å; F96-F262 CarbonylContact O-C 3.54Å; F96-F262 WeakPolarHBondContact O-CA 3.47Å; F96-D263 PolarHBondContact O-N 3.09Å; F96-R302 HydrophobicContact CB-CG 4.32Å; F96-R302 HydrophobicContact CD1-CG 4.42Å; F96-V304 HydrophobicContact CD1-CG1 4.49Å; F96-V304 HydrophobicContact CD2-CG1 4.33Å; F96-V304 HydrophobicContact CE1-CG1 3.98Å; F96-V304 HydrophobicContact CE2-CG1 3.8Å; F96-V304 HydrophobicContact CZ-CG1 3.59Å
97	A	90.1	Very high	77.7	Confident	59 Å²	59	71.4 Å²	71.4	49%	0.488	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	147.2	164.2	0	0	0	0	0	109.6
98	L	88.4	Confident	75.3	Confident	19 Å²	19	78.6 Å²	78.6	10%	0.099	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-78.9	128.2	165.4	-59.8	-178.1	0	0	0	109.1	F262 F267 V283 A285 F300 R302	L98-F262 HydrophobicContact CD2-CD1 3.93Å; L98-F267 HydrophobicContact CB-CE2 4.42Å; L98-F267 HydrophobicContact CD1-CD2 4.09Å; L98-F267 HydrophobicContact CD1-CE2 3.84Å; L98-F267 HydrophobicContact CD1-CZ 4.24Å; L98-V283 HydrophobicContact CD1-CG1 4.32Å; L98-V283 HydrophobicContact CD2-CB 3.95Å; L98-V283 HydrophobicContact CD2-CG1 3.67Å; L98-A285 HydrophobicContact CD1-CB 3.65Å; L98-F300 HydrophobicContact CB-CB 3.87Å; L98-R302 HydrophobicContact CD2-CB 3.9Å
99	E	83.1	Confident	72.7	Confident	92 Å²	92	87 Å²	87	43%	0.43	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	141.7	-177.5	-69.4	173.5	162.4	0	0	109.6	V101 F300 H301 R302	E99-V101 PolarHBondContact O-N 3.17Å; E99-F300 CarbonylContact O-C 3.6Å; E99-F300 WeakPolarHBondContact O-CA 3.46Å; E99-H301 PolarHBondContact N-O 3.1Å; E99-H301 PolarHBondContact O-N 2.67Å; E99-R302 IonicContact OE1-CZ 2.77Å; E99-R302 IonicContact OE1-NH1 2.74Å; E99-R302 PolarHBondContact OE1-NH1 3.49Å; E99-R302 IonicContact OE2-CZ 2.72Å; E99-R302 IonicContact OE2-NH1 3.64Å; E99-R302 PolarHBondContact OE2-NH1 3.32Å
100	P	83.3	Confident	70	Confident	81 Å²	81	83.9 Å²	83.9	53%	0.526	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	133.2	174.2	-22	31.1	0	0	0	110.4	D102 F300	P100-D102 PolarHBondContact O-N 3.36Å; P100-D102 VanDerWaalsContact O-N 3.1Å; P100-F300 HydrophobicContact CB-CD1 4.32Å; P100-F300 HydrophobicContact CB-CE1 4.26Å; P100-F300 HydrophobicContact CG-CD1 4.07Å; P100-F300 HydrophobicContact CG-CE1 3.81Å
101	V	78.5	Confident	67.3	Low	35 Å²	35	87.6 Å²	87.6	21%	0.212	46%	0.461	C	S	.	.			trans	-66.5	111	165.8	-179.6	0	0	0	0	105.8	E99 E299 H301	E99-V101 PolarHBondContact O-N 3.17Å; V101-E299 HydrophobicContact CB-CB 4.1Å; V101-E299 HydrophobicContact CG2-CB 3.81Å; V101-E299 PolarHBondContact N-O 3.21Å; V101-H301 HydrophobicContact CG2-CB 3.97Å; V101-H301 WeakPolarHBondContact CG2-ND1 3.29Å
102	D	62.6	Low	64.6	Low	84 Å²	84	95.6 Å²	95.6	45%	0.449	50%	0.496	S	S	.	.			trans	-66.9	138.5	166.2	-78.7	-43.7	0	0	0	107.5	P100 F104 K138	P100-D102 PolarHBondContact O-N 3.36Å; P100-D102 VanDerWaalsContact O-N 3.1Å; D102-F104 PolarHBondContact O-N 3.44Å; D102-K138 IonicContact OD1-NZ 3.87Å; D102-K138 PolarHBondContact OD1-NZ 3.46Å; D102-K138 IonicContact OD2-NZ 2.7Å; D102-K138 PolarHBondContact OD2-NZ 2.7Å
103	D	50.3	Low	61.9	Low	170 Å²	170	99 Å²	99	91%	0.909	52%	0.516	S	S	*	.	S	Bend	trans	-60.4	13.1	172.7	-91.3	-18.9	0	0	0	113.8
104	F	40.5	Very low	59.3	Low	76 Å²	76	96.4 Å²	96.4	33%	0.333	51%	0.511	S	S	.	.			trans	-113.2	49.5	-179.2	-79.4	-90.8	0	0	0	111.2	D102 L106	D102-F104 PolarHBondContact O-N 3.44Å; F104-L106 PolarHBondContact O-N 3.38Å
105	D	42.1	Very low	56.9	Low	69 Å²	69	99.7 Å²	99.7	37%	0.369	52%	0.524	S	S	.	.			trans	-69.8	111.7	154.5	-90.6	-25.4	0	0	0	107.7	D107 H108	D105-D107 PolarHBondContact O-N 2.88Å; D105-H108 PolarHBondContact O-N 3.08Å
106	L	39.8	Very low	54	Low	133 Å²	133	105.9 Å²	105.9	70%	0.696	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-55.5	-19.6	171.4	-114.1	91.7	0	0	0	111.8	F104 H108 W109	F104-L106 PolarHBondContact O-N 3.38Å; L106-H108 PolarHBondContact O-N 3.18Å; L106-W109 WeakPolarHBondContact O-CB 3.26Å; L106-W109 PolarHBondContact O-N 3.25Å
107	D	43.4	Very low	51.2	Low	142 Å²	142	109.2 Å²	109.2	76%	0.759	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-68.7	-21.1	177.2	-60.4	-14.2	0	0	0	112.7	D105	D105-D107 PolarHBondContact O-N 2.88Å
108	H	42.4	Very low	48.7	Very low	153 Å²	153	113.4 Å²	113.4	71%	0.708	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-83	-6.7	170.8	-89.8	80.3	0	0	0	113.8	D105 L106 G110	D105-H108 PolarHBondContact O-N 3.08Å; L106-H108 PolarHBondContact O-N 3.18Å; H108-G110 PolarHBondContact O-N 3.27Å
109	W	41.2	Very low	46.8	Very low	183 Å²	183	120.6 Å²	120.6	69%	0.693	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-75.4	-13.4	176.4	-79	52.8	0	0	0	113.4	L106	L106-W109 WeakPolarHBondContact O-CB 3.26Å; L106-W109 PolarHBondContact O-N 3.25Å
110	G	39.2	Very low	45.3	Very low	64 Å²	64	119.9 Å²	119.9	66%	0.66	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-85.7	-18.5	-179.7	0	0	0	0	0	115.3	H108	H108-G110 PolarHBondContact O-N 3.27Å
111	N	35.2	Very low	43.9	Very low	139 Å²	139	120.9 Å²	120.9	74%	0.743	64%	0.637	S	S	*	*			trans	-109.2	76.8	-175.1	-76.7	7.9	0	0	0	110.9	E113	N111-E113 VanDerWaalsContact C-N 3.35Å; N111-E113 PolarHBondContact O-N 3.48Å
112	F	37.2	Very low	42.9	Very low	176 Å²	176	122.8 Å²	122.8	77%	0.772	65%	0.652	S	S	*	*			trans	-70.4	92.6	164.8	-130.8	-89.3	0	0	0	108	I115	F112-I115 HydrophobicContact CE1-CD1 4.5Å
113	E	36.8	Very low	42.9	Very low	165 Å²	165	121.9 Å²	121.9	77%	0.771	65%	0.65	S	S	*	*			trans	-60	130.1	160	-83.7	-116.2	143.2	0	0	107.8	N111 I115	N111-E113 VanDerWaalsContact C-N 3.35Å; N111-E113 PolarHBondContact O-N 3.48Å; E113-I115 PolarHBondContact O-N 3.4Å; E113-I115 VanDerWaalsContact O-N 3.09Å
114	P	36.2	Very low	42.8	Very low	87 Å²	87	119.3 Å²	119.3	57%	0.565	63%	0.634	S	S	*	*			trans	-59.8	118.8	178.1	-16.9	28.3	0	0	0	109	H116	P114-H116 VanDerWaalsContact C-N 3.25Å; P114-H116 PolarHBondContact O-CD2 3.45Å; P114-H116 PolarHBondContact O-N 2.69Å
115	I	38.9	Very low	43.9	Very low	112 Å²	112	122.2 Å²	122.2	57%	0.574	65%	0.65	S	S	*	*			trans	-64.4	91.4	174.1	-58.5	172.7	0	0	0	107.5	F112 E113 S117 M124	F112-I115 HydrophobicContact CE1-CD1 4.5Å; E113-I115 PolarHBondContact O-N 3.4Å; E113-I115 VanDerWaalsContact O-N 3.09Å; I115-S117 PolarHBondContact O-N 3.26Å; I115-M124 HydrophobicContact CD1-CE 3.9Å
116	H	32.8	Very low	45.4	Very low	157 Å²	157	123.4 Å²	123.4	73%	0.727	65%	0.653	S	S	*	*			trans	-81.3	111.3	164.3	-74.1	-72.7	0	0	0	107.8	P114	P114-H116 VanDerWaalsContact C-N 3.25Å; P114-H116 PolarHBondContact O-CD2 3.45Å; P114-H116 PolarHBondContact O-N 2.69Å
117	S	33.6	Very low	46.5	Very low	98 Å²	98	122.8 Å²	122.8	69%	0.685	65%	0.647	S	S	*	*			trans	83.8	91.2	163.8	-23.8	0	0	0	0	115.6	I115	I115-S117 PolarHBondContact O-N 3.26Å
118	L	38.2	Very low	47.5	Very low	147 Å²	147	121.6 Å²	121.6	77%	0.77	64%	0.638	S	S	*	*			trans	-163.6	112.1	142.3	-125.1	88	0	0	0	109.4	D120	L118-D120 VanDerWaalsContact C-N 3.33Å; L118-D120 PolarHBondContact O-N 2.65Å
119	D	46.7	Very low	48.8	Very low	169 Å²	169	120.1 Å²	120.1	90%	0.904	63%	0.631	S	S	*	*			trans	-79.9	43.4	-167.6	-65.7	-57.6	0	0	0	115.6
120	D	53.1	Low	50.5	Low	77 Å²	77	119.5 Å²	119.5	41%	0.412	63%	0.629	S	S	.	*			trans	-143.4	108.4	176.4	-164.5	-3.8	0	0	0	114.6	L118 S122 T123	L118-D120 VanDerWaalsContact C-N 3.33Å; L118-D120 PolarHBondContact O-N 2.65Å; D120-S122 PolarHBondContact O-N 2.95Å; D120-S122 VanDerWaalsContact O-N 3.16Å; D120-S122 WeakPolarHBondContact OD1-CB 3.49Å; D120-S122 PolarHBondContact OD1-N 2.96Å; D120-S122 PolarHBondContact OD1-OG 3.41Å; D120-T123 PolarHBondContact O-N 3.44Å; D120-T123 PolarHBondContact O-OG1 2.95Å
121	P	52.9	Low	51.4	Low	102 Å²	102	124.2 Å²	124.2	66%	0.662	63%	0.627	S	S	*	*	H	α-helix	trans	-62.4	-18.7	176.2	24.3	-31.9	0	0	0	113.4	M125	P121-M125 PolarHBondContact O-N 3.39Å
122	S	57.8	Low	53	Low	76 Å²	76	123 Å²	123	53%	0.531	62%	0.618	S	S	.	*	H	α-helix	trans	-69.2	-41.5	179.5	-37.6	0	0	0	0	111.7	D120 E126	D120-S122 PolarHBondContact O-N 2.95Å; D120-S122 VanDerWaalsContact O-N 3.16Å; D120-S122 WeakPolarHBondContact OD1-CB 3.49Å; D120-S122 PolarHBondContact OD1-N 2.96Å; D120-S122 PolarHBondContact OD1-OG 3.41Å; S122-E126 PolarHBondContact O-N 2.74Å
123	T	61.7	Low	54.7	Low	65 Å²	65	118.4 Å²	118.4	40%	0.399	60%	0.599	S	S	.	*	H	α-helix	trans	-71	-30.1	179.5	29.7	0	0	0	0	113.8	D120 Q127	D120-T123 PolarHBondContact O-N 3.44Å; D120-T123 PolarHBondContact O-OG1 2.95Å; T123-Q127 WeakPolarHBondContact O-CB 3.39Å; T123-Q127 PolarHBondContact O-N 3.37Å; T123-Q127 VanDerWaalsContact O-N 3.07Å
124	M	49.4	Very low	56.1	Low	116 Å²	116	113 Å²	113	57%	0.571	58%	0.579	S	S	*	*	H	α-helix	trans	-70.6	-39.4	178.4	-170.1	-179.6	-91.6	0	0	111.4	I115 M128	I115-M124 HydrophobicContact CD1-CE 3.9Å; M124-M128 WeakPolarHBondContact O-CB 3.48Å; M124-M128 PolarHBondContact O-N 2.95Å
125	M	63.8	Low	57.4	Low	136 Å²	136	112.7 Å²	112.7	67%	0.67	57%	0.572	S	S	*	*	H	α-helix	trans	-68.2	-41.5	178.2	-143.5	176.1	-61.3	0	0	111.2	P121 M128 E129	P121-M125 PolarHBondContact O-N 3.39Å; M125-M128 PolarHBondContact O-N 3.13Å; M125-E129 WeakPolarHBondContact O-CB 3.39Å; M125-E129 PolarHBondContact O-N 3.23Å
126	E	72.4	Confident	58.9	Low	94 Å²	94	115.8 Å²	115.8	44%	0.439	58%	0.577	S	S	.	*	H	α-helix	trans	-67.3	-37.4	178.1	-164.2	178.1	169.1	0	0	112.4	S122 E129 R130	S122-E126 PolarHBondContact O-N 2.74Å; E126-E129 PolarHBondContact O-N 2.92Å; E126-R130 VanDerWaalsContact O-CG 3.31Å; E126-R130 WeakPolarHBondContact O-CG 3.38Å; E126-R130 PolarHBondContact O-N 2.93Å; E126-R130 IonicContact OE1-CZ 3.24Å; E126-R130 IonicContact OE1-NE 3.85Å; E126-R130 IonicContact OE1-NH2 2.81Å; E126-R130 PolarHBondContact OE1-NH2 3.22Å
127	Q	63.3	Low	60.6	Low	121 Å²	121	115.5 Å²	115.5	57%	0.565	58%	0.576	S	S	*	*	H	α-helix	trans	-67.3	-37.2	174.2	-169.3	178.4	9.3	0	0	111.9	T123 R131	T123-Q127 WeakPolarHBondContact O-CB 3.39Å; T123-Q127 PolarHBondContact O-N 3.37Å; T123-Q127 VanDerWaalsContact O-N 3.07Å; Q127-R131 PolarHBondContact O-N 2.94Å
128	M	64	Low	61.4	Low	117 Å²	117	115.2 Å²	115.2	58%	0.576	56%	0.563	S	S	*	*	H	α-helix	trans	-68	-41	174.7	-169.5	172.2	-173.5	0	0	111.7	M124 M125 R131 M132	M124-M128 WeakPolarHBondContact O-CB 3.48Å; M124-M128 PolarHBondContact O-N 2.95Å; M125-M128 PolarHBondContact O-N 3.13Å; M128-R131 PolarHBondContact O-N 3.38Å; M128-M132 HydrophobicContact CE-CE 4.19Å; M128-M132 PolarHBondContact O-N 3.41Å
129	E	71.3	Confident	62.2	Low	121 Å²	121	113.4 Å²	113.4	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-65.5	-46.9	177.9	-171.7	167.6	-154.8	0	0	111.5	M125 E126 R131 M132 E133	M125-E129 WeakPolarHBondContact O-CB 3.39Å; M125-E129 PolarHBondContact O-N 3.23Å; E126-E129 PolarHBondContact O-N 2.92Å; E129-R131 PolarHBondContact O-N 3.29Å; E129-M132 PolarHBondContact O-N 2.91Å; E129-M132 VanDerWaalsContact O-N 3.07Å; E129-E133 PolarHBondContact O-N 3.06Å
130	R	75.2	Confident	62.5	Low	171 Å²	171	107.5 Å²	107.5	65%	0.645	53%	0.53	S	S	*	.	H	α-helix	trans	-57.7	-36.8	174	-71.6	179.7	-161.2	-178.7	7.2	112.3	E126 S134	E126-R130 VanDerWaalsContact O-CG 3.31Å; E126-R130 WeakPolarHBondContact O-CG 3.38Å; E126-R130 PolarHBondContact O-N 2.93Å; E126-R130 IonicContact OE1-CZ 3.24Å; E126-R130 IonicContact OE1-NE 3.85Å; E126-R130 IonicContact OE1-NH2 2.81Å; E126-R130 PolarHBondContact OE1-NH2 3.22Å; R130-S134 PolarHBondContact O-N 2.74Å
131	R	58.3	Low	62.4	Low	162 Å²	162	109.2 Å²	109.2	61%	0.611	54%	0.544	S	S	*	.	H	α-helix	trans	-71	-40	175	-83.6	-168.8	171.6	168.2	-2.1	112.6	Q127 M128 E129 L135	Q127-R131 PolarHBondContact O-N 2.94Å; M128-R131 PolarHBondContact O-N 3.38Å; E129-R131 PolarHBondContact O-N 3.29Å; R131-L135 PolarHBondContact O-N 2.92Å
132	M	69.4	Low	61.9	Low	114 Å²	114	110.9 Å²	110.9	56%	0.562	54%	0.544	S	S	*	.	H	α-helix	trans	-64.7	-39.7	174.6	-83.4	-164.1	173.3	0	0	112.6	M128 E129 L135 R136	M128-M132 HydrophobicContact CE-CE 4.19Å; M128-M132 PolarHBondContact O-N 3.41Å; E129-M132 PolarHBondContact O-N 2.91Å; E129-M132 VanDerWaalsContact O-N 3.07Å; M132-L135 WeakPolarHBondContact O-CB 3.47Å; M132-L135 PolarHBondContact O-N 3.2Å; M132-R136 PolarHBondContact O-N 3.13Å
133	E	73.5	Confident	61	Low	79 Å²	79	111 Å²	111	37%	0.369	55%	0.545	S	S	.	.	H	α-helix	trans	-68.7	-36.4	178.9	-119.8	63.6	-122.5	0	0	112.4	E129 L135 R136 Q137	E129-E133 PolarHBondContact O-N 3.06Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 2.89Å; E133-R136 PolarHBondContact O-N 3.5Å; E133-R136 WeakPolarHBondContact OE1-CD 3.35Å; E133-R136 IonicContact OE1-NH1 3.21Å; E133-R136 PolarHBondContact OE1-NH1 3.42Å; E133-Q137 PolarHBondContact O-N 2.9Å
134	S	64.5	Low	59.8	Low	52 Å²	52	112.9 Å²	112.9	36%	0.364	56%	0.561	S	S	.	*	H	α-helix	trans	-62.8	-40	172.4	-175.7	0	0	0	0	111.8	R130 K138	R130-S134 PolarHBondContact O-N 2.74Å; S134-K138 PolarHBondContact O-N 3.04Å
135	L	63.7	Low	59.2	Low	80 Å²	80	116.1 Å²	116.1	42%	0.419	57%	0.572	S	S	.	*	H	α-helix	trans	-65.7	-41.2	176.2	-170.9	70.2	0	0	0	111.3	R131 M132 E133 K138 M139	R131-L135 PolarHBondContact O-N 2.92Å; M132-L135 WeakPolarHBondContact O-CB 3.47Å; M132-L135 PolarHBondContact O-N 3.2Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 2.89Å; L135-K138 PolarHBondContact O-N 2.77Å; L135-M139 HydrophobicContact CD1-CE 4.41Å; L135-M139 HydrophobicContact CD2-CE 3.86Å; L135-M139 HydrophobicContact CG-CE 3.8Å; L135-M139 WeakPolarHBondContact O-CB 3.31Å; L135-M139 PolarHBondContact O-N 2.84Å
136	R	70.6	Confident	57.8	Low	178 Å²	178	112.8 Å²	112.8	67%	0.672	57%	0.573	S	S	*	*	H	α-helix	trans	-63	-45.1	175.6	-95.5	179.2	171.5	166	-0.8	113	M132 E133 K138 G140	M132-R136 PolarHBondContact O-N 3.13Å; E133-R136 PolarHBondContact O-N 3.5Å; E133-R136 WeakPolarHBondContact OE1-CD 3.35Å; E133-R136 IonicContact OE1-NH1 3.21Å; E133-R136 PolarHBondContact OE1-NH1 3.42Å; R136-K138 VanDerWaalsContact C-N 3.3Å; R136-K138 PolarHBondContact O-N 2.72Å; R136-G140 PolarHBondContact O-N 3.38Å
137	Q	68.2	Low	56.1	Low	151 Å²	151	114.5 Å²	114.5	71%	0.706	59%	0.592	S	S	*	*	H	α-helix	trans	-60.5	-42.8	177.2	-85.9	-174.4	3.9	0	0	111.4	E133 G140 T141	E133-Q137 PolarHBondContact O-N 2.9Å; Q137-G140 WeakPolarHBondContact O-CA 3.15Å; Q137-G140 PolarHBondContact O-N 3.37Å; Q137-T141 PolarHBondContact O-N 3.31Å; Q137-T141 VanDerWaalsContact O-N 3.09Å; Q137-T141 PolarHBondContact O-OG1 3.41Å
138	K	51.6	Low	54.8	Low	92 Å²	92	114.4 Å²	114.4	40%	0.4	61%	0.605	S	S	.	*	H	α-helix	trans	-76.7	-32.6	-176.2	-140.8	158.4	179.1	-175.5	0	112.6	D102 S134 L135 R136 G140 T141 M142	D102-K138 IonicContact OD1-NZ 3.87Å; D102-K138 PolarHBondContact OD1-NZ 3.46Å; D102-K138 IonicContact OD2-NZ 2.7Å; D102-K138 PolarHBondContact OD2-NZ 2.7Å; S134-K138 PolarHBondContact O-N 3.04Å; L135-K138 PolarHBondContact O-N 2.77Å; R136-K138 VanDerWaalsContact C-N 3.3Å; R136-K138 PolarHBondContact O-N 2.72Å; K138-G140 VanDerWaalsContact C-N 3.34Å; K138-T141 WeakPolarHBondContact CA-OG1 3.47Å; K138-T141 PolarHBondContact O-N 2.97Å; K138-T141 PolarHBondContact O-OG1 2.97Å; K138-M142 PolarHBondContact O-N 3.17Å
139	M	55.3	Low	53.4	Low	109 Å²	109	117.4 Å²	117.4	54%	0.537	62%	0.617	S	S	.	*	H	α-helix	trans	-65.4	-35.3	165.1	-80.1	-154.1	-118	0	0	112.2	L135 T141 M142 S143	L135-M139 HydrophobicContact CD1-CE 4.41Å; L135-M139 HydrophobicContact CD2-CE 3.86Å; L135-M139 HydrophobicContact CG-CE 3.8Å; L135-M139 WeakPolarHBondContact O-CB 3.31Å; L135-M139 PolarHBondContact O-N 2.84Å; M139-T141 VanDerWaalsContact C-N 3.32Å; M139-T141 PolarHBondContact O-N 3.47Å; M139-M142 CarbonylContact O-C 3.59Å; M139-M142 PolarHBondContact O-N 3.35Å; M139-S143 VanDerWaalsContact O-CB 3.3Å; M139-S143 WeakPolarHBondContact O-CB 3.31Å; M139-S143 PolarHBondContact O-N 3.47Å; M139-S143 PolarHBondContact O-OG 3.12Å
140	G	52.1	Low	51.4	Low	44 Å²	44	121.6 Å²	121.6	45%	0.454	63%	0.634	S	S	.	*	H	α-helix	trans	-63.4	-33.3	174.7	0	0	0	0	0	113.9	R136 Q137 K138 S143	R136-G140 PolarHBondContact O-N 3.38Å; Q137-G140 WeakPolarHBondContact O-CA 3.15Å; Q137-G140 PolarHBondContact O-N 3.37Å; K138-G140 VanDerWaalsContact C-N 3.34Å; G140-S143 WeakPolarHBondContact CA-OG 3.48Å; G140-S143 PolarHBondContact O-OG 2.88Å; G140-S143 VanDerWaalsContact O-OG 3.12Å
141	T	50.5	Low	49.4	Very low	114 Å²	114	118.7 Å²	118.7	70%	0.699	64%	0.64	S	S	*	*	H	α-helix	trans	-80.6	-17.8	174.3	42	0	0	0	0	114.1	Q137 K138 M139	Q137-T141 PolarHBondContact O-N 3.31Å; Q137-T141 VanDerWaalsContact O-N 3.09Å; Q137-T141 PolarHBondContact O-OG1 3.41Å; K138-T141 WeakPolarHBondContact CA-OG1 3.47Å; K138-T141 PolarHBondContact O-N 2.97Å; K138-T141 PolarHBondContact O-OG1 2.97Å; M139-T141 VanDerWaalsContact C-N 3.32Å; M139-T141 PolarHBondContact O-N 3.47Å
142	M	42.8	Very low	48.1	Very low	136 Å²	136	114 Å²	114	67%	0.67	64%	0.641	S	S	*	*	H	α-helix	trans	-95.3	-16.1	171.5	-64.2	-164.1	-56.3	0	0	112.7	K138 M139 S144	K138-M142 PolarHBondContact O-N 3.17Å; M139-M142 CarbonylContact O-C 3.59Å; M139-M142 PolarHBondContact O-N 3.35Å; M142-S144 PolarHBondContact O-N 2.96Å
143	S	39.2	Very low	46.4	Very low	80 Å²	80	114.8 Å²	114.8	56%	0.559	66%	0.655	S	S	*	*			trans	-85.5	58.7	175.9	67.2	0	0	0	0	112.2	M139 G140 F145	M139-S143 VanDerWaalsContact O-CB 3.3Å; M139-S143 WeakPolarHBondContact O-CB 3.31Å; M139-S143 PolarHBondContact O-N 3.47Å; M139-S143 PolarHBondContact O-OG 3.12Å; G140-S143 WeakPolarHBondContact CA-OG 3.48Å; G140-S143 PolarHBondContact O-OG 2.88Å; G140-S143 VanDerWaalsContact O-OG 3.12Å; S143-F145 VanDerWaalsContact C-N 3.29Å
144	S	36.8	Very low	44.5	Very low	104 Å²	104	118.4 Å²	118.4	73%	0.727	68%	0.677	S	S	*	*			trans	-102.1	39.7	147.6	-179.2	0	0	0	0	109.3	M142	M142-S144 PolarHBondContact O-N 2.96Å
145	F	37.3	Very low	43	Very low	183 Å²	183	121.1 Å²	121.1	80%	0.803	70%	0.696	S	S	*	*	S	Bend	trans	-142.4	107.9	172.8	-65.7	-75.6	0	0	0	106.6	S143	S143-F145 VanDerWaalsContact C-N 3.29Å
146	G	34.8	Very low	41.8	Very low	67 Å²	67	121.2 Å²	121.2	69%	0.691	70%	0.704	S	S	*	*			trans	-66.4	158.6	-178.6	0	0	0	0	0	112.1	S148	G146-S148 PolarHBondContact O-N 2.82Å
147	P	35	Very low	40.7	Very low	130 Å²	130	116 Å²	116	84%	0.844	69%	0.691	S	S	*	*			trans	-80.2	112	-174.9	32.1	-29.7	0	0	0	109.5
148	S	36.2	Very low	39.7	Very low	118 Å²	118	112.2 Å²	112.2	83%	0.825	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-94.7	123.9	160	56.9	0	0	0	0	109.2	G146	G146-S148 PolarHBondContact O-N 2.82Å
149	H	35.2	Very low	40	Very low	180 Å²	180	110.5 Å²	110.5	83%	0.833	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-53.6	144	-175.7	-81.4	-103	0	0	0	114.7
150	F	29	Very low	40.4	Very low	209 Å²	209	107.2 Å²	107.2	92%	0.917	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-66.8	119.8	171.9	-167.5	-96.3	0	0	0	111.3
151	S	34.3	Very low	41	Very low	111 Å²	111	106.4 Å²	106.4	78%	0.776	64%	0.641	S	S	*	*			trans	-159	107.8	158.6	56.3	0	0	0	0	112.4
152	G	30.4	Very low	42.1	Very low	62 Å²	62	102.4 Å²	102.4	64%	0.639	62%	0.618	S	S	*	*			trans	89.4	142.1	146	0	0	0	0	0	118.2	N154	G152-N154 PolarHBondContact O-N 2.79Å; G152-N154 VanDerWaalsContact O-N 3.17Å
153	P	33.4	Very low	43.3	Very low	132 Å²	132	96.8 Å²	96.8	86%	0.857	59%	0.592	S	S	*	*			trans	-83.4	92.3	178.8	34.2	-29	0	0	0	109.6
154	N	32.8	Very low	45.1	Very low	154 Å²	154	98.9 Å²	98.9	82%	0.824	59%	0.588	S	S	*	*			trans	-129.3	111.9	163.8	-76.9	-16.3	0	0	0	108.1	G152 S156	G152-N154 PolarHBondContact O-N 2.79Å; G152-N154 VanDerWaalsContact O-N 3.17Å; N154-S156 PolarHBondContact O-N 2.74Å
155	S	34.6	Very low	46.8	Very low	110 Å²	110	97.5 Å²	97.5	77%	0.769	57%	0.572	S	S	*	*			trans	-64.7	95.2	174.6	176.6	0	0	0	0	109.7	T157	S155-T157 PolarHBondContact O-N 3.41Å; S155-T157 VanDerWaalsContact O-N 3.08Å
156	S	38.6	Very low	48.6	Very low	82 Å²	82	90.2 Å²	90.2	57%	0.573	54%	0.542	S	S	*	.			trans	-63.5	108	169.3	56	0	0	0	0	108.6	N154 M158	N154-S156 PolarHBondContact O-N 2.74Å; S156-M158 PolarHBondContact O-N 3.01Å
157	T	46.5	Very low	50.5	Low	67 Å²	67	89.3 Å²	89.3	41%	0.411	53%	0.525	S	S	.	.			trans	-86.7	93	178.2	-59.1	0	0	0	0	107.3	S155 Q159	S155-T157 PolarHBondContact O-N 3.41Å; S155-T157 VanDerWaalsContact O-N 3.08Å; T157-Q159 HydrophobicContact CG2-CG 3.66Å
158	M	48	Very low	52.6	Low	73 Å²	73	85.1 Å²	85.1	36%	0.36	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.2	166.4	-76.3	-170.4	45.4	0	0	108.2	S156 V196	S156-M158 PolarHBondContact O-N 3.01Å; M158-V196 HydrophobicContact CG-CG1 4.2Å; M158-V196 HydrophobicContact CG-CG2 4.15Å
159	Q	57.6	Low	54.4	Low	56 Å²	56	81.9 Å²	81.9	26%	0.262	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.8	178.7	-72.1	169.9	-45	0	0	109	T157 R194 T195	T157-Q159 HydrophobicContact CG2-CG 3.66Å; Q159-R194 CarbonylContact O-C 3.49Å; Q159-R194 VanDerWaalsContact O-CA 3.25Å; Q159-R194 WeakPolarHBondContact O-CA 3.34Å; Q159-T195 PolarHBondContact N-O 3.43Å; Q159-T195 PolarHBondContact O-N 3.29Å
160	T	62.9	Low	56.3	Low	39 Å²	39	75.2 Å²	75.2	24%	0.239	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140	171.9	73.3	0	0	0	0	111.2	T193 R194 E438	T160-T193 WeakPolarHBondContact CA-O 3.27Å; T160-R194 HydrophobicContact CG2-CB 4.08Å; T160-R194 HydrophobicContact CG2-CG 3.89Å; T160-E438 PolarHBondContact O-N 3.42Å; T160-E438 WeakPolarHBondContact OG1-CG 3.44Å; T160-E438 PolarHBondContact OG1-OE1 2.97Å; T160-E438 PolarHBondContact OG1-OE2 3.17Å
161	S	65.9	Low	58.1	Low	27 Å²	27	69.7 Å²	69.7	19%	0.189	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.8	171.2	55.9	0	0	0	0	110.2	H192 T193 S436	S161-H192 WeakPolarHBondContact O-CA 3.38Å; S161-T193 PolarHBondContact N-O 3.2Å; S161-T193 PolarHBondContact O-N 3.26Å; S161-S436 VanDerWaalsContact CA-O 3.26Å; S161-S436 WeakPolarHBondContact CA-O 3.4Å
162	S	73.6	Confident	59.7	Low	30 Å²	30	67.1 Å²	67.1	21%	0.21	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.6	177.4	-175.1	0	0	0	0	109.1	Q191 H192 Q435 S436	S162-Q191 CarbonylContact C-O 3.52Å; S162-Q191 WeakPolarHBondContact CA-O 3.35Å; S162-H192 PolarHBondContact OG-CD2 2.74Å; S162-H192 VanDerWaalsContact OG-CD2 3.26Å; S162-H192 PolarHBondContact OG-CE1 2.84Å; S162-H192 PolarHBondContact OG-NE2 3.28Å; S162-Q435 CarbonylContact O-C 3.46Å; S162-Q435 VanDerWaalsContact O-CA 3.3Å; S162-Q435 WeakPolarHBondContact O-CA 3.49Å; S162-S436 PolarHBondContact N-O 3.46Å; S162-S436 VanDerWaalsContact N-O 3.13Å; S162-S436 PolarHBondContact O-N 3.01Å
163	S	67.9	Low	61.3	Low	18 Å²	18	67.7 Å²	67.7	13%	0.126	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.6	174.3	74.9	0	0	0	0	110	T190 Q191 T434	S163-T190 CarbonylContact O-C 3.57Å; S163-T190 VanDerWaalsContact O-CA 3.24Å; S163-T190 WeakPolarHBondContact O-CA 3.38Å; S163-Q191 PolarHBondContact N-O 3.5Å; S163-Q191 PolarHBondContact O-N 3.17Å; S163-Q191 WeakPolarHBondContact OG-CB 3.5Å; S163-T434 CarbonylContact C-O 3.56Å; S163-T434 VanDerWaalsContact CA-O 3.26Å; S163-T434 WeakPolarHBondContact CA-O 3.39Å
164	R	76.4	Confident	62.7	Low	124 Å²	124	63.6 Å²	63.6	47%	0.468	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	125.3	175.3	-174.8	179	-171.8	-161.4	-1.6	107.8	E188 S189 F433 T434	R164-E188 HydrophobicContact CG-CG 4.4Å; R164-E188 IonicContact CZ-OE1 2.78Å; R164-E188 IonicContact CZ-OE2 3.54Å; R164-E188 VanDerWaalsContact NE-CD 3.31Å; R164-E188 IonicContact NE-OE1 3.36Å; R164-E188 PolarHBondContact NE-OE1 2.82Å; R164-E188 IonicContact NE-OE2 3.86Å; R164-E188 IonicContact NH2-OE1 2.89Å; R164-E188 PolarHBondContact NH2-OE1 2.97Å; R164-E188 IonicContact NH2-OE2 2.78Å; R164-E188 PolarHBondContact NH2-OE2 3.24Å; R164-S189 CarbonylContact C-O 3.46Å; R164-S189 WeakPolarHBondContact CA-O 3.36Å; R164-F433 CarbonylContact O-C 3.56Å; R164-F433 VanDerWaalsContact O-CA 3.24Å; R164-F433 WeakPolarHBondContact O-CA 3.2Å; R164-T434 PolarHBondContact N-O 2.92Å; R164-T434 PolarHBondContact O-N 2.94Å
165	I	72.3	Confident	64.1	Low	76 Å²	76	62.1 Å²	62.1	39%	0.39	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.5	177.8	-59.6	174.4	0	0	0	107.5	E188 S189 E432 F433	I165-E188 CarbonylContact O-C 3.58Å; I165-E188 VanDerWaalsContact O-CA 3.28Å; I165-E188 WeakPolarHBondContact O-CA 3.39Å; I165-S189 PolarHBondContact N-O 3.04Å; I165-S189 PolarHBondContact O-N 2.82Å; I165-E432 CarbonylContact C-O 3.58Å; I165-E432 WeakPolarHBondContact CA-O 3.41Å; I165-E432 WeakPolarHBondContact CG2-O 3.18Å; I165-F433 HydrophobicContact CG1-CB 3.93Å
166	T	75.8	Confident	65.4	Low	29 Å²	29	61.7 Å²	61.7	18%	0.178	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116.8	177.8	41.3	0	0	0	0	109.6	V187 E188 E432	T166-V187 CarbonylContact C-O 3.54Å; T166-V187 WeakPolarHBondContact CA-O 3.25Å; T166-E188 HydrophobicContact CG2-CB 4.01Å; T166-E188 HydrophobicContact CG2-CG 3.67Å; T166-E432 PolarHBondContact N-O 2.7Å; T166-E432 WeakPolarHBondContact O-CB 3.5Å; T166-E432 PolarHBondContact O-N 2.84Å; T166-E432 WeakPolarHBondContact OG1-CB 3.44Å
167	S	73.9	Confident	66.4	Low	48 Å²	48	63.3 Å²	63.3	34%	0.336	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.2	176.1	-63.6	0	0	0	0	109	V186 V187 T430	S167-V186 CarbonylContact O-C 3.58Å; S167-V186 WeakPolarHBondContact O-CA 3.5Å; S167-V187 PolarHBondContact N-O 3.21Å; S167-V187 PolarHBondContact O-N 2.74Å; S167-T430 CarbonylContact C-O 3.57Å; S167-T430 WeakPolarHBondContact CA-O 3.23Å
168	S	79.2	Confident	66.9	Low	43 Å²	43	70 Å²	70	30%	0.301	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145	175.7	67.4	0	0	0	0	111.8	N185 S429 T430	S168-N185 CarbonylContact C-O 3.57Å; S168-N185 WeakPolarHBondContact CA-O 3.39Å; S168-S429 CarbonylContact O-C 3.53Å; S168-S429 WeakPolarHBondContact O-CA 3.47Å; S168-T430 PolarHBondContact N-O 3.43Å; S168-T430 PolarHBondContact O-N 2.87Å
169	T	75	Confident	67.6	Low	49 Å²	49	72 Å²	72	30%	0.301	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	127.7	174.3	-55.8	0	0	0	0	108.9	H171 S184 N185	T169-H171 WeakPolarHBondContact CG2-NE2 3.47Å; T169-S184 CarbonylContact O-C 3.58Å; T169-S184 VanDerWaalsContact O-CA 3.32Å; T169-S184 WeakPolarHBondContact O-CA 3.48Å; T169-N185 PolarHBondContact N-O 3.46Å; T169-N185 PolarHBondContact O-N 2.84Å
170	S	73.8	Confident	67.8	Low	41 Å²	41	73.1 Å²	73.1	29%	0.287	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.4	176.2	60.6	0	0	0	0	110.3	K183 S427 T428	S170-K183 CarbonylContact C-O 3.57Å; S170-K183 VanDerWaalsContact CA-O 3.25Å; S170-K183 WeakPolarHBondContact CA-O 3.39Å; S170-S427 VanDerWaalsContact O-CA 3.22Å; S170-S427 WeakPolarHBondContact O-CA 3.44Å; S170-S427 WeakPolarHBondContact O-CB 3.39Å; S170-T428 PolarHBondContact N-O 2.88Å; S170-T428 PolarHBondContact O-N 2.83Å; S170-T428 VanDerWaalsContact O-N 3.08Å; S170-T428 PolarHBondContact OG-O 3.36Å
171	H	67.9	Low	67.9	Low	93 Å²	93	73.1 Å²	73.1	43%	0.431	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.2	174	-68	-79	0	0	0	108.6	T169 T182 K183 S427	T169-H171 WeakPolarHBondContact CG2-NE2 3.47Å; H171-T182 WeakPolarHBondContact O-CA 3.49Å; H171-K183 PolarHBondContact N-O 3.15Å; H171-K183 PolarHBondContact O-N 3.38Å; H171-S427 VanDerWaalsContact CE1-CB 3.47Å; H171-S427 WeakPolarHBondContact CE1-CB 3.36Å; H171-S427 VanDerWaalsContact ND1-CB 3.29Å; H171-S427 WeakPolarHBondContact ND1-CB 3.21Å
172	S	66.4	Low	67.9	Low	57 Å²	57	73.9 Å²	73.9	40%	0.399	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.7	169.1	57.4	0	0	0	0	109.2	V181 K426	S172-V181 WeakPolarHBondContact CA-O 3.36Å; S172-K426 PolarHBondContact N-O 3.01Å
173	S	64.7	Low	68.1	Low	73 Å²	73	77.4 Å²	77.4	51%	0.51	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.2	172.9	66.9	0	0	0	0	111	V181	S173-V181 PolarHBondContact N-O 3.27Å; S173-V181 PolarHBondContact O-N 2.88Å; S173-V181 VanDerWaalsContact O-N 3.08Å
174	G	62.9	Low	68.5	Low	46 Å²	46	78.3 Å²	78.3	47%	0.474	45%	0.447	S	S	.	.			trans	152.6	131.6	-179.3	0	0	0	0	0	109.9
175	S	61.9	Low	68.8	Low	123 Å²	123	76.5 Å²	76.5	86%	0.86	45%	0.446	S	S	*	.	S	Bend	trans	-81.4	-25.6	173.7	50.7	0	0	0	0	112.3
176	D	62.8	Low	69.2	Low	101 Å²	101	75.3 Å²	75.3	54%	0.54	44%	0.442	S	S	.	.	S	Bend	trans	-92.1	126.3	176.8	-87.4	-51	0	0	0	110.4	K178 N179 L180	D176-K178 PolarHBondContact O-N 2.88Å; D176-N179 HydrophobicContact CB-CB 4.2Å; D176-N179 CarbonylContact O-C 3.58Å; D176-N179 PolarHBondContact O-N 2.83Å; D176-L180 PolarHBondContact O-N 3.34Å
177	P	58.9	Low	69.5	Low	117 Å²	117	77.4 Å²	77.4	76%	0.76	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.3	175.9	22.6	-31.5	0	0	0	112.8
178	K	58.1	Low	69.7	Low	206 Å²	206	77.4 Å²	77.4	90%	0.896	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-18.6	174.5	-67.6	-174.5	177.8	178.3	0	114.3	D176	D176-K178 PolarHBondContact O-N 2.88Å
179	N	61.7	Low	69.7	Low	116 Å²	116	76.8 Å²	76.8	62%	0.62	45%	0.446	S	S	*	.	S	Bend	trans	-122	28.7	-175	-149.7	14.7	0	0	0	111.6	D176 V181	D176-N179 HydrophobicContact CB-CB 4.2Å; D176-N179 CarbonylContact O-C 3.58Å; D176-N179 PolarHBondContact O-N 2.83Å; N179-V181 PolarHBondContact O-N 3.33Å
180	L	61.2	Low	69.9	Low	79 Å²	79	75.5 Å²	75.5	41%	0.414	44%	0.438	S	S	.	.			trans	-72.1	115	178.9	-156.6	75.1	0	0	0	108.8	D176	D176-L180 PolarHBondContact O-N 3.34Å
181	V	66	Low	70.1	Confident	40 Å²	40	77.8 Å²	77.8	24%	0.242	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.1	172.6	179.1	0	0	0	0	107.6	S172 S173 N179 K183	S172-V181 WeakPolarHBondContact CA-O 3.36Å; S173-V181 PolarHBondContact N-O 3.27Å; S173-V181 PolarHBondContact O-N 2.88Å; S173-V181 VanDerWaalsContact O-N 3.08Å; N179-V181 PolarHBondContact O-N 3.33Å; V181-K183 HydrophobicContact CG1-CG 4.32Å
182	T	66.4	Low	70.4	Confident	43 Å²	43	77.8 Å²	77.8	26%	0.264	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.5	173.3	-55.6	0	0	0	0	108.8	H171 T213	H171-T182 WeakPolarHBondContact O-CA 3.49Å; T182-T213 PolarHBondContact N-O 3.48Å; T182-T213 PolarHBondContact O-N 3.35Å
183	K	76.8	Confident	70.7	Confident	104 Å²	104	76.4 Å²	76.4	45%	0.452	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.4	170.5	-55.1	-165.3	175.8	176.2	0	108.7	S170 H171 V181 S211 N212	S170-K183 CarbonylContact C-O 3.57Å; S170-K183 VanDerWaalsContact CA-O 3.25Å; S170-K183 WeakPolarHBondContact CA-O 3.39Å; H171-K183 PolarHBondContact N-O 3.15Å; H171-K183 PolarHBondContact O-N 3.38Å; V181-K183 HydrophobicContact CG1-CG 4.32Å; K183-S211 WeakPolarHBondContact CA-O 3.37Å; K183-N212 WeakPolarHBondContact CD-OD1 3.45Å; K183-N212 WeakPolarHBondContact CG-OD1 3.27Å
184	S	76.8	Confident	70.9	Confident	37 Å²	37	77.1 Å²	77.1	26%	0.259	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.6	179.2	-55.9	0	0	0	0	110.1	T169 S210 S211	T169-S184 CarbonylContact O-C 3.58Å; T169-S184 VanDerWaalsContact O-CA 3.32Å; T169-S184 WeakPolarHBondContact O-CA 3.48Å; S184-S210 CarbonylContact O-C 3.56Å; S184-S210 WeakPolarHBondContact O-CA 3.48Å; S184-S211 PolarHBondContact N-O 3.47Å; S184-S211 PolarHBondContact O-N 2.95Å
185	N	81.8	Confident	71.3	Confident	85 Å²	85	75.8 Å²	75.8	46%	0.455	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.3	170.7	-73	-6.1	0	0	0	109	S168 T169 S209 S210	S168-N185 CarbonylContact C-O 3.57Å; S168-N185 WeakPolarHBondContact CA-O 3.39Å; T169-N185 PolarHBondContact N-O 3.46Å; T169-N185 PolarHBondContact O-N 2.84Å; N185-S209 CarbonylContact C-O 3.52Å; N185-S209 WeakPolarHBondContact CA-O 3.33Å; N185-S210 WeakPolarHBondContact OD1-CB 3.36Å
186	V	81.3	Confident	71.6	Confident	52 Å²	52	71.8 Å²	71.8	32%	0.315	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.6	174	-175.3	0	0	0	0	108.3	S167 S208 S209	S167-V186 CarbonylContact O-C 3.58Å; S167-V186 WeakPolarHBondContact O-CA 3.5Å; V186-S208 CarbonylContact O-C 3.55Å; V186-S208 VanDerWaalsContact O-CA 3.31Å; V186-S208 WeakPolarHBondContact O-CA 3.47Å; V186-S209 PolarHBondContact N-O 3.34Å; V186-S209 PolarHBondContact O-N 3.19Å
187	V	81.6	Confident	72	Confident	73 Å²	73	72.8 Å²	72.8	44%	0.442	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.4	173.6	-179.4	0	0	0	0	107.6	T166 S167	T166-V187 CarbonylContact C-O 3.54Å; T166-V187 WeakPolarHBondContact CA-O 3.25Å; S167-V187 PolarHBondContact N-O 3.21Å; S167-V187 PolarHBondContact O-N 2.74Å
188	E	79.2	Confident	72.5	Confident	47 Å²	47	70.3 Å²	70.3	22%	0.22	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.1	-179.5	-178.8	178.6	154.5	0	0	110.3	R164 I165 T166 H206 S207	R164-E188 HydrophobicContact CG-CG 4.4Å; R164-E188 IonicContact CZ-OE1 2.78Å; R164-E188 IonicContact CZ-OE2 3.54Å; R164-E188 VanDerWaalsContact NE-CD 3.31Å; R164-E188 IonicContact NE-OE1 3.36Å; R164-E188 PolarHBondContact NE-OE1 2.82Å; R164-E188 IonicContact NE-OE2 3.86Å; R164-E188 IonicContact NH2-OE1 2.89Å; R164-E188 PolarHBondContact NH2-OE1 2.97Å; R164-E188 IonicContact NH2-OE2 2.78Å; R164-E188 PolarHBondContact NH2-OE2 3.24Å; I165-E188 CarbonylContact O-C 3.58Å; I165-E188 VanDerWaalsContact O-CA 3.28Å; I165-E188 WeakPolarHBondContact O-CA 3.39Å; T166-E188 HydrophobicContact CG2-CB 4.01Å; T166-E188 HydrophobicContact CG2-CG 3.67Å; E188-H206 CarbonylContact O-C 3.59Å; E188-H206 WeakPolarHBondContact O-CA 3.25Å; E188-S207 PolarHBondContact N-O 2.87Å; E188-S207 PolarHBondContact O-N 3.04Å
189	S	79.4	Confident	72.3	Confident	31 Å²	31	68 Å²	68	22%	0.217	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.4	175.7	-56.6	0	0	0	0	109.5	R164 I165 S205 H206	R164-S189 CarbonylContact C-O 3.46Å; R164-S189 WeakPolarHBondContact CA-O 3.36Å; I165-S189 PolarHBondContact N-O 3.04Å; I165-S189 PolarHBondContact O-N 2.82Å; S189-S205 CarbonylContact C-O 3.57Å; S189-S205 WeakPolarHBondContact CA-O 3.45Å; S189-H206 VanDerWaalsContact CB-ND1 3.34Å; S189-H206 WeakPolarHBondContact CB-ND1 3.38Å; S189-H206 PolarHBondContact OG-CE1 2.99Å; S189-H206 PolarHBondContact OG-ND1 3.27Å
190	T	77.8	Confident	72.6	Confident	22 Å²	22	66.5 Å²	66.5	14%	0.135	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.1	177.3	-57.2	0	0	0	0	109.8	S163 H192 S204 S205	S163-T190 CarbonylContact O-C 3.57Å; S163-T190 VanDerWaalsContact O-CA 3.24Å; S163-T190 WeakPolarHBondContact O-CA 3.38Å; T190-H192 VanDerWaalsContact CG2-CE1 3.47Å; T190-H192 WeakPolarHBondContact CG2-CE1 3.25Å; T190-S204 CarbonylContact O-C 3.56Å; T190-S204 VanDerWaalsContact O-CA 3.25Å; T190-S204 WeakPolarHBondContact O-CA 3.38Å; T190-S205 PolarHBondContact N-O 2.7Å; T190-S205 PolarHBondContact O-N 3.11Å; T190-S205 PolarHBondContact O-OG 2.73Å
191	Q	78.9	Confident	72.9	Confident	88 Å²	88	67.1 Å²	67.1	41%	0.411	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.8	175.4	179.9	-177	1.4	0	0	110	S162 S163 T203	S162-Q191 CarbonylContact C-O 3.52Å; S162-Q191 WeakPolarHBondContact CA-O 3.35Å; S163-Q191 PolarHBondContact N-O 3.5Å; S163-Q191 PolarHBondContact O-N 3.17Å; S163-Q191 WeakPolarHBondContact OG-CB 3.5Å; Q191-T203 CarbonylContact C-O 3.57Å; Q191-T203 VanDerWaalsContact CA-O 3.24Å; Q191-T203 WeakPolarHBondContact CA-O 3.29Å
192	H	73.8	Confident	73.2	Confident	94 Å²	94	69.4 Å²	69.4	44%	0.435	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.7	171	-70	69.9	0	0	0	109.2	S161 S162 T190 T202 T203	S161-H192 WeakPolarHBondContact O-CA 3.38Å; S162-H192 PolarHBondContact OG-CD2 2.74Å; S162-H192 VanDerWaalsContact OG-CD2 3.26Å; S162-H192 PolarHBondContact OG-CE1 2.84Å; S162-H192 PolarHBondContact OG-NE2 3.28Å; T190-H192 VanDerWaalsContact CG2-CE1 3.47Å; T190-H192 WeakPolarHBondContact CG2-CE1 3.25Å; H192-T202 CarbonylContact O-C 3.55Å; H192-T202 VanDerWaalsContact O-CA 3.29Å; H192-T202 WeakPolarHBondContact O-CA 3.47Å; H192-T203 PolarHBondContact N-O 3.28Å; H192-T203 PolarHBondContact O-N 3.29Å
193	T	73.5	Confident	73.6	Confident	27 Å²	27	71.8 Å²	71.8	17%	0.166	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135	176.8	-56.1	0	0	0	0	108.8	T160 S161 T200 T201 T202	T160-T193 WeakPolarHBondContact CA-O 3.27Å; S161-T193 PolarHBondContact N-O 3.2Å; S161-T193 PolarHBondContact O-N 3.26Å; T193-T200 HydrophobicContact CG2-CG2 3.4Å; T193-T201 CarbonylContact C-O 3.56Å; T193-T201 WeakPolarHBondContact CA-O 3.42Å; T193-T202 HydrophobicContact CG2-CG2 3.77Å
194	R	68.8	Low	73.5	Confident	88 Å²	88	71 Å²	71	33%	0.332	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123	173.8	172.8	170.5	174.5	-175	-3.5	110.2	Q159 T160 V196 T200 T201	Q159-R194 CarbonylContact O-C 3.49Å; Q159-R194 VanDerWaalsContact O-CA 3.25Å; Q159-R194 WeakPolarHBondContact O-CA 3.34Å; T160-R194 HydrophobicContact CG2-CB 4.08Å; T160-R194 HydrophobicContact CG2-CG 3.89Å; R194-V196 HydrophobicContact CG-CG2 3.89Å; R194-V196 VanDerWaalsContact NE-CG2 3.33Å; R194-T200 CarbonylContact O-C 3.55Å; R194-T200 WeakPolarHBondContact O-CA 3.27Å; R194-T201 PolarHBondContact N-O 2.8Å; R194-T201 PolarHBondContact O-N 3.29Å; R194-T201 PolarHBondContact O-OG1 3.35Å; R194-T201 VanDerWaalsContact O-OG1 3.08Å
195	T	70.3	Confident	73.5	Confident	18 Å²	18	72.4 Å²	72.4	11%	0.11	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.4	173.7	-51.5	0	0	0	0	109.3	Q159 E199 T200	Q159-T195 PolarHBondContact N-O 3.43Å; Q159-T195 PolarHBondContact O-N 3.29Å; T195-E199 CarbonylContact C-O 3.5Å; T195-E199 VanDerWaalsContact CA-O 3.27Å; T195-E199 WeakPolarHBondContact CA-O 3.25Å; T195-T200 PolarHBondContact OG1-OG1 3.41Å; T195-T200 VanDerWaalsContact OG1-OG1 3.13Å
196	V	68.4	Low	73.4	Confident	40 Å²	40	75.2 Å²	75.2	24%	0.242	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.7	174.2	-175.3	0	0	0	0	107.1	M158 R194 G198 E199	M158-V196 HydrophobicContact CG-CG1 4.2Å; M158-V196 HydrophobicContact CG-CG2 4.15Å; R194-V196 HydrophobicContact CG-CG2 3.89Å; R194-V196 VanDerWaalsContact NE-CG2 3.33Å; V196-G198 PolarHBondContact O-N 3.46Å; V196-G198 VanDerWaalsContact O-N 3.1Å; V196-E199 PolarHBondContact N-O 2.88Å; V196-E199 PolarHBondContact O-N 3.28Å
197	D	70.5	Confident	73.2	Confident	121 Å²	121	76 Å²	76	65%	0.647	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	36	177.4	-57	-38	0	0	0	113.7	E199	D197-E199 VanDerWaalsContact C-N 3.3Å; D197-E199 PolarHBondContact O-N 2.89Å
198	G	70.2	Confident	73	Confident	65 Å²	65	77.2 Å²	77.2	67%	0.67	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-8.5	-178.6	0	0	0	0	0	115.2	V196	V196-G198 PolarHBondContact O-N 3.46Å; V196-G198 VanDerWaalsContact O-N 3.1Å
199	E	55	Low	72.9	Confident	158 Å²	158	78.5 Å²	78.5	74%	0.738	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.6	174	-67.2	-165.2	142.3	0	0	110.9	T195 V196 D197	T195-E199 CarbonylContact C-O 3.5Å; T195-E199 VanDerWaalsContact CA-O 3.27Å; T195-E199 WeakPolarHBondContact CA-O 3.25Å; V196-E199 PolarHBondContact N-O 2.88Å; V196-E199 PolarHBondContact O-N 3.28Å; D197-E199 VanDerWaalsContact C-N 3.3Å; D197-E199 PolarHBondContact O-N 2.89Å
200	T	66.1	Low	72.6	Confident	85 Å²	85	81.6 Å²	81.6	52%	0.521	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.8	-178.2	-52.5	0	0	0	0	110.9	T193 R194 T195 T202	T193-T200 HydrophobicContact CG2-CG2 3.4Å; R194-T200 CarbonylContact O-C 3.55Å; R194-T200 WeakPolarHBondContact O-CA 3.27Å; T195-T200 PolarHBondContact OG1-OG1 3.41Å; T195-T200 VanDerWaalsContact OG1-OG1 3.13Å; T200-T202 HydrophobicContact CG2-CG2 4.23Å
201	T	69.1	Low	72.3	Confident	91 Å²	91	83.4 Å²	83.4	56%	0.558	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.4	170.9	52.4	0	0	0	0	109.7	T193 R194	T193-T201 CarbonylContact C-O 3.56Å; T193-T201 WeakPolarHBondContact CA-O 3.42Å; R194-T201 PolarHBondContact N-O 2.8Å; R194-T201 PolarHBondContact O-N 3.29Å; R194-T201 PolarHBondContact O-OG1 3.35Å; R194-T201 VanDerWaalsContact O-OG1 3.08Å
202	T	71.8	Confident	71.6	Confident	88 Å²	88	84.4 Å²	84.4	54%	0.54	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.8	177.2	57.9	0	0	0	0	110.6	H192 T193 T200	H192-T202 CarbonylContact O-C 3.55Å; H192-T202 VanDerWaalsContact O-CA 3.29Å; H192-T202 WeakPolarHBondContact O-CA 3.47Å; T193-T202 HydrophobicContact CG2-CG2 3.77Å; T200-T202 HydrophobicContact CG2-CG2 4.23Å
203	T	74.4	Confident	70.6	Confident	93 Å²	93	84 Å²	84	57%	0.571	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.7	172.3	58.3	0	0	0	0	108.5	Q191 H192	Q191-T203 CarbonylContact C-O 3.57Å; Q191-T203 VanDerWaalsContact CA-O 3.24Å; Q191-T203 WeakPolarHBondContact CA-O 3.29Å; H192-T203 PolarHBondContact N-O 3.28Å; H192-T203 PolarHBondContact O-N 3.29Å
204	S	75.2	Confident	69.5	Low	88 Å²	88	87.2 Å²	87.2	62%	0.615	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.2	177	62	0	0	0	0	111.4	T190	T190-S204 CarbonylContact O-C 3.56Å; T190-S204 VanDerWaalsContact O-CA 3.25Å; T190-S204 WeakPolarHBondContact O-CA 3.38Å
205	S	76.1	Confident	68.2	Low	67 Å²	67	86.3 Å²	86.3	47%	0.469	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142	145.1	176.5	57.5	0	0	0	0	109.8	S189 T190	S189-S205 CarbonylContact C-O 3.57Å; S189-S205 WeakPolarHBondContact CA-O 3.45Å; T190-S205 PolarHBondContact N-O 2.7Å; T190-S205 PolarHBondContact O-N 3.11Å; T190-S205 PolarHBondContact O-OG 2.73Å
206	H	79.3	Confident	66.6	Low	144 Å²	144	93.8 Å²	93.8	67%	0.667	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-132.6	136.9	179.6	-61.9	-76.3	0	0	0	109.4	E188 S189	E188-H206 CarbonylContact O-C 3.59Å; E188-H206 WeakPolarHBondContact O-CA 3.25Å; S189-H206 VanDerWaalsContact CB-ND1 3.34Å; S189-H206 WeakPolarHBondContact CB-ND1 3.38Å; S189-H206 PolarHBondContact OG-CE1 2.99Å; S189-H206 PolarHBondContact OG-ND1 3.27Å
207	S	77.6	Confident	64.8	Low	68 Å²	68	98.3 Å²	98.3	48%	0.476	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.9	152.2	173.8	67.8	0	0	0	0	110.7	E188	E188-S207 PolarHBondContact N-O 2.87Å; E188-S207 PolarHBondContact O-N 3.04Å
208	S	76.9	Confident	62.9	Low	99 Å²	99	95.7 Å²	95.7	69%	0.692	62%	0.623	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-140	139	174.5	60.9	0	0	0	0	109.7	V186	V186-S208 CarbonylContact O-C 3.55Å; V186-S208 VanDerWaalsContact O-CA 3.31Å; V186-S208 WeakPolarHBondContact O-CA 3.47Å
209	S	77.2	Confident	60.9	Low	74 Å²	74	98 Å²	98	52%	0.517	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.7	144.8	176.8	63.5	0	0	0	0	110	N185 V186	N185-S209 CarbonylContact C-O 3.52Å; N185-S209 WeakPolarHBondContact CA-O 3.33Å; V186-S209 PolarHBondContact N-O 3.34Å; V186-S209 PolarHBondContact O-N 3.19Å
210	S	74	Confident	59.7	Low	96 Å²	96	99.6 Å²	99.6	67%	0.671	63%	0.633	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-131.6	139.1	175.4	58.8	0	0	0	0	109.2	S184 N185	S184-S210 CarbonylContact O-C 3.56Å; S184-S210 WeakPolarHBondContact O-CA 3.48Å; N185-S210 WeakPolarHBondContact OD1-CB 3.36Å
211	S	71.2	Confident	57.9	Low	60 Å²	60	103.3 Å²	103.3	42%	0.42	65%	0.648	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.6	138.5	178.1	59.5	0	0	0	0	110.3	K183 S184	K183-S211 WeakPolarHBondContact CA-O 3.37Å; S184-S211 PolarHBondContact N-O 3.47Å; S184-S211 PolarHBondContact O-N 2.95Å
212	N	64.7	Low	55.9	Low	108 Å²	108	105.6 Å²	105.6	58%	0.578	66%	0.657	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.6	122	171.4	-65.2	-23.2	0	0	0	107.1	K183	K183-N212 WeakPolarHBondContact CD-OD1 3.45Å; K183-N212 WeakPolarHBondContact CG-OD1 3.27Å
213	T	51.5	Low	53.8	Low	86 Å²	86	108.9 Å²	108.9	53%	0.528	67%	0.67	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.2	131	174	61.4	0	0	0	0	110.1	T182	T182-T213 PolarHBondContact N-O 3.48Å; T182-T213 PolarHBondContact O-N 3.35Å
214	S	52.4	Low	51.6	Low	94 Å²	94	110.3 Å²	110.3	66%	0.657	68%	0.679	S	S	*	*			trans	-132.8	106.4	172.7	58.3	0	0	0	0	108
215	G	40.9	Very low	49.2	Very low	70 Å²	70	113 Å²	113	72%	0.722	69%	0.687	S	S	*	*	S	Bend	trans	66.7	129.7	167.9	0	0	0	0	0	118
216	L	35.5	Very low	46.9	Very low	175 Å²	175	116.2 Å²	116.2	92%	0.916	70%	0.704	S	S	*	*			trans	73.8	123.9	174.3	-72.2	136	0	0	0	117.3	G218	L216-G218 PolarHBondContact O-N 3.39Å
217	P	31.4	Very low	44.4	Very low	134 Å²	134	115.2 Å²	115.2	87%	0.87	71%	0.71	S	S	*	*			trans	-82.7	117.2	-178.1	33.4	-29.4	0	0	0	109.7
218	G	30.6	Very low	42	Very low	67 Å²	67	115.7 Å²	115.7	69%	0.691	73%	0.726	S	S	*	*			trans	-177.5	109.3	174.5	0	0	0	0	0	113.2	L216	L216-G218 PolarHBondContact O-N 3.39Å
219	S	29	Very low	39.7	Very low	113 Å²	113	115.9 Å²	115.9	79%	0.79	73%	0.727	S	S	*	*			trans	114.7	104.6	151.1	-53.3	0	0	0	0	117.7
220	K	28.6	Very low	37.2	Very low	192 Å²	192	121 Å²	121	84%	0.835	75%	0.748	S	S	*	*				56.8	100.9	124.9	-60.5	-175.2	-179.6	-175.8	0	117.4
221	I	28.8	Very low	35.1	Very low	162 Å²	162	122.1 Å²	122.1	83%	0.831	75%	0.745	S	S	*	*			trans	-81	120.6	157.4	-60.4	173.3	0	0	0	107.7
222	N	27.9	Very low	32.8	Very low	140 Å²	140	125.6 Å²	125.6	75%	0.749	76%	0.764	S	S	*	*			trans	-70.8	119.7	169.8	-83.1	-20.8	0	0	0	109.4	T224	N222-T224 PolarHBondContact O-N 3.35Å
223	L	26.6	Very low	31.1	Very low	156 Å²	156	128.9 Å²	128.9	82%	0.817	78%	0.776	S	S	*	*			trans	-75.2	110	158.9	-91	81.8	0	0	0	108.1
224	T	27.6	Very low	30.1	Very low	123 Å²	123	129.8 Å²	129.8	76%	0.755	78%	0.782	S	S	*	*			trans	-83.9	109.1	164.1	51.8	0	0	0	0	108.4	N222	N222-T224 PolarHBondContact O-N 3.35Å
225	N	24.6	Very low	29	Very low	146 Å²	146	130.7 Å²	130.7	78%	0.781	79%	0.788	S	S	*	*			trans	-66.9	124.5	167.6	-75.4	-1.3	0	0	0	109.7
226	T	28.8	Very low	28.6	Very low	133 Å²	133	131.6 Å²	131.6	82%	0.816	78%	0.779	S	S	*	*			trans	-111.5	114.5	160.9	-45.7	0	0	0	0	107.8
227	P	26.9	Very low	28.4	Very low	123 Å²	123	128.7 Å²	128.7	80%	0.799	77%	0.771	S	S	*	*			trans	-89.4	136	178	33.4	-28.2	0	0	0	110
228	G	26.7	Very low	28.4	Very low	79 Å²	79	126.4 Å²	126.4	81%	0.814	76%	0.757	S	S	*	*			trans	164.1	90.5	168.7	0	0	0	0	0	115.2
229	S	28.4	Very low	29.4	Very low	103 Å²	103	125 Å²	125	72%	0.72	74%	0.742	S	S	*	*				170.4	106.3	121.5	-171.8	0	0	0	0	109.2
230	L	24.5	Very low	30.9	Very low	181 Å²	181	125.4 Å²	125.4	95%	0.948	73%	0.733	S	S	*	*			trans	-82.8	102.8	169.2	-73.5	158.4	0	0	0	107.8
231	I	30.6	Very low	33.2	Very low	119 Å²	119	117.2 Å²	117.2	61%	0.61	70%	0.698	S	S	*	*			trans	-141.4	122.8	164.7	-49.4	177.5	0	0	0	110.8
232	T	23.7	Very low	35.8	Very low	134 Å²	134	111.3 Å²	111.3	82%	0.822	67%	0.668	S	S	*	*			trans	-42.1	122.9	179.1	33.5	0	0	0	0	115.4
233	Q	28.2	Very low	38.7	Very low	176 Å²	176	106 Å²	106	82%	0.822	64%	0.638	S	S	*	*			trans	-71.6	122.8	167.8	-72.6	174	-42.9	0	0	110.1	S235	Q233-S235 PolarHBondContact O-N 3.26Å
234	T	30	Very low	41.8	Very low	106 Å²	106	98.6 Å²	98.6	65%	0.65	60%	0.6	S	S	*	*			trans	-70.8	114.6	158	47.3	0	0	0	0	107.5	V236	T234-V236 PolarHBondContact O-N 3.06Å
235	S	28.8	Very low	44.7	Very low	112 Å²	112	95 Å²	95	78%	0.783	57%	0.574	S	S	*	*			trans	-66.4	97.2	-175.8	55.5	0	0	0	0	112.1	Q233	Q233-S235 PolarHBondContact O-N 3.26Å
236	V	32.8	Very low	47.8	Very low	90 Å²	90	89.9 Å²	89.9	55%	0.545	55%	0.547	S	S	.	.			trans	-62.7	150.4	135.7	-91.1	0	0	0	0	107.3	T234 C238	T234-V236 PolarHBondContact O-N 3.06Å; V236-C238 PolarHBondContact O-N 3.35Å
237	P	30.9	Very low	51	Low	114 Å²	114	83.7 Å²	83.7	74%	0.74	51%	0.508	S	S	*	.			trans	-62.9	75.8	176.6	-16.4	30.1	0	0	0	110.7	G239	P237-G239 PolarHBondContact O-N 2.93Å
238	C	31.6	Very low	54.2	Low	86 Å²	86	78 Å²	78	58%	0.581	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	120.1	177	-165.4	0	0	0	0	106	V236	V236-C238 PolarHBondContact O-N 3.35Å
239	G	51.5	Low	57.5	Low	37 Å²	37	74.8 Å²	74.8	38%	0.381	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	123.1	-5.5	169.5	0	0	0	0	0	117.8	P237 D242	P237-G239 PolarHBondContact O-N 2.93Å; G239-D242 PolarHBondContact N-OD1 3.05Å
240	M	61.3	Low	60.7	Low	121 Å²	121	69.9 Å²	69.9	60%	0.596	40%	0.401	S	S	*	.	S	Bend	trans	-72	-33.3	177.1	-74.9	-171.4	63.5	0	0	112.9	F243	M240-F243 WeakPolarHBondContact O-CE1 3.35Å
241	M	77.9	Confident	64.1	Low	20 Å²	20	61.3 Å²	61.3	10%	0.099	36%	0.356	C	S	.	.	S	Bend	trans	-127.9	7.6	-173.3	-60.8	-56.5	148	0	0	115	F243 L244 D305 T442	M241-F243 PolarHBondContact O-N 3.34Å; M241-F243 HydrophobicContact SD-CE1 3.72Å; M241-F243 HydrophobicContact SD-CZ 4.24Å; M241-L244 HydrophobicContact CB-CD1 3.96Å; M241-L244 HydrophobicContact CB-CG 4.26Å; M241-L244 HydrophobicContact CG-CD1 4.44Å; M241-L244 WeakPolarHBondContact O-CB 3.04Å; M241-L244 WeakPolarHBondContact O-CG 3.25Å; M241-L244 PolarHBondContact O-N 3.27Å; M241-L244 HydrophobicContact SD-CD1 4.47Å; M241-D305 HydrophobicContact CE-CB 3.2Å; M241-D305 WeakPolarHBondContact CE-OD2 3.26Å; M241-D305 HydrophobicContact SD-CB 3.97Å; M241-T442 HydrophobicContact CB-CG2 3.17Å; M241-T442 HydrophobicContact CG-CG2 3.53Å
242	D	82.1	Confident	67	Low	39 Å²	39	60.3 Å²	60.3	21%	0.209	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-57.8	-20.4	-177.7	-68.7	16.1	0	0	0	112.5	G239 L244 K245 S411	G239-D242 PolarHBondContact N-OD1 3.05Å; D242-L244 VanDerWaalsContact C-N 3.27Å; D242-L244 PolarHBondContact O-N 3.4Å; D242-K245 WeakPolarHBondContact O-CD 3.28Å; D242-K245 WeakPolarHBondContact O-CG 3.02Å; D242-S411 VanDerWaalsContact CB-OG 3.3Å; D242-S411 WeakPolarHBondContact CB-OG 3.44Å; D242-S411 PolarHBondContact OD2-OG 3.21Å
243	F	89	Confident	70.3	Confident	27 Å²	27	57.3 Å²	57.3	12%	0.118	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-67.1	-21.9	175.5	76.7	-90.1	0	0	0	114	F96 M240 M241 K245 D246 A247 F258 V260 V304 D305	F96-F243 HydrophobicContact CE1-CB 4.46Å; F96-F243 HydrophobicContact CE2-CB 4.19Å; F96-F243 HydrophobicContact CE2-CD2 4.25Å; F96-F243 HydrophobicContact CE2-CG 4.1Å; F96-F243 HydrophobicContact CZ-CB 3.58Å; F96-F243 AromaticContact CZ-CD1 3.69Å; F96-F243 HydrophobicContact CZ-CD1 3.69Å; F96-F243 HydrophobicContact CZ-CD2 4.13Å; F96-F243 HydrophobicContact CZ-CE1 4.4Å; F96-F243 AromaticContact CZ-CG 3.54Å; F96-F243 HydrophobicContact CZ-CG 3.54Å; M240-F243 WeakPolarHBondContact O-CE1 3.35Å; M241-F243 PolarHBondContact O-N 3.34Å; M241-F243 HydrophobicContact SD-CE1 3.72Å; M241-F243 HydrophobicContact SD-CZ 4.24Å; F243-K245 PolarHBondContact O-N 3.21Å; F243-D246 PolarHBondContact O-N 2.81Å; F243-A247 HydrophobicContact CD2-CB 4.12Å; F243-A247 HydrophobicContact CE2-CB 4.4Å; F243-A247 PolarHBondContact O-N 2.78Å; F243-F258 HydrophobicContact CE2-CE2 4.08Å; F243-F258 AromaticContact CE2-CZ 3.9Å; F243-F258 HydrophobicContact CE2-CZ 3.9Å; F243-V260 HydrophobicContact CD2-CG1 3.88Å; F243-V260 HydrophobicContact CE2-CG1 3.73Å; F243-V304 HydrophobicContact CE1-CB 4.1Å; F243-V304 HydrophobicContact CE1-CG1 4.4Å; F243-V304 HydrophobicContact CZ-CB 4.03Å; F243-V304 HydrophobicContact CZ-CG2 4.46Å; F243-D305 WeakPolarHBondContact CZ-O 3.07Å
244	L	90.8	Very high	73.4	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-60.8	-29.7	-174.5	-71.6	-179.6	0	0	0	113	M241 D242 D246 A247 F258 P307 P445 L464	M241-L244 HydrophobicContact CB-CD1 3.96Å; M241-L244 HydrophobicContact CB-CG 4.26Å; M241-L244 HydrophobicContact CG-CD1 4.44Å; M241-L244 WeakPolarHBondContact O-CB 3.04Å; M241-L244 WeakPolarHBondContact O-CG 3.25Å; M241-L244 PolarHBondContact O-N 3.27Å; M241-L244 HydrophobicContact SD-CD1 4.47Å; D242-L244 VanDerWaalsContact C-N 3.27Å; D242-L244 PolarHBondContact O-N 3.4Å; L244-D246 PolarHBondContact O-N 2.88Å; L244-A247 PolarHBondContact O-N 3Å; L244-F258 HydrophobicContact CD2-CE2 3.98Å; L244-P307 HydrophobicContact CD1-CG 4.33Å; L244-P307 HydrophobicContact CD2-CG 3.4Å; L244-P445 HydrophobicContact CB-CG 4.33Å; L244-L464 HydrophobicContact CD1-CD1 3.68Å
245	K	89.3	Confident	76.5	Confident	48 Å²	48	49 Å²	49	21%	0.209	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-61.2	-30	176.5	72	-167.1	179.6	-171.2	0	113	D242 F243 Q346 M409 D410 S411	D242-K245 WeakPolarHBondContact O-CD 3.28Å; D242-K245 WeakPolarHBondContact O-CG 3.02Å; F243-K245 PolarHBondContact O-N 3.21Å; K245-Q346 WeakPolarHBondContact O-CB 3.47Å; K245-Q346 WeakPolarHBondContact O-CG 3.45Å; K245-M409 WeakPolarHBondContact CB-O 3.11Å; K245-D410 WeakPolarHBondContact CD-OD1 3.41Å; K245-D410 IonicContact NZ-OD1 3.64Å; K245-D410 PolarHBondContact NZ-OD1 3.12Å; K245-S411 PolarHBondContact NZ-OG 3.24Å
246	D	90.8	Very high	79.7	Confident	38 Å²	38	43.8 Å²	43.8	20%	0.203	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-107.2	3.3	-178.1	-58.9	-49.2	0	0	0	112.5	F243 L244 Q346	F243-D246 PolarHBondContact O-N 2.81Å; L244-D246 PolarHBondContact O-N 2.88Å; D246-Q346 PolarHBondContact OD1-NE2 2.91Å
247	A	94	Very high	82.8	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.017	22%	0.224	C	C	.	.	S	Bend	trans	-85.2	-14.3	-173	0	0	0	0	0	113.9	F243 L244 F258 K259	F243-A247 HydrophobicContact CD2-CB 4.12Å; F243-A247 HydrophobicContact CE2-CB 4.4Å; F243-A247 PolarHBondContact O-N 2.78Å; L244-A247 PolarHBondContact O-N 3Å; A247-F258 HydrophobicContact CB-CD2 3.73Å; A247-F258 HydrophobicContact CB-CE2 3.54Å; A247-F258 HydrophobicContact CB-CZ 4.42Å; A247-F258 CarbonylContact O-C 3.49Å; A247-F258 VanDerWaalsContact O-CA 3.32Å; A247-F258 WeakPolarHBondContact O-CA 3.29Å; A247-K259 PolarHBondContact O-N 3.28Å
248	Y	95.8	Very high	85.9	Confident	3 Å²	3	35 Å²	35	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.1	-179.8	-66.4	-75.4	0	0	0	111.5	V256 H257 F258 S309 V331 L347 D444 P445 F446	Y248-V256 HydrophobicContact CD1-CG1 4.07Å; Y248-H257 WeakPolarHBondContact CA-O 3.47Å; Y248-F258 HydrophobicContact CD1-CB 4.29Å; Y248-F258 HydrophobicContact CE1-CB 3.96Å; Y248-F258 AromaticContact CE1-CD2 3.99Å; Y248-F258 HydrophobicContact CE1-CD2 3.99Å; Y248-F258 HydrophobicContact CE1-CG 4.48Å; Y248-F258 HydrophobicContact CE2-CD2 4.49Å; Y248-F258 AromaticContact CZ-CD2 3.97Å; Y248-S309 PolarHBondContact OH-OG 3.36Å; Y248-V331 HydrophobicContact CD1-CG2 3.96Å; Y248-V331 HydrophobicContact CE1-CG2 3.79Å; Y248-L347 HydrophobicContact CD2-CD2 4.17Å; Y248-L347 HydrophobicContact CG-CD2 4.13Å; Y248-D444 WeakPolarHBondContact CE2-OD1 3.46Å; Y248-D444 VanDerWaalsContact OH-CG 3.26Å; Y248-D444 PolarHBondContact OH-OD1 3.48Å; Y248-D444 PolarHBondContact OH-OD2 2.78Å; Y248-P445 HydrophobicContact CD2-CB 4.32Å; Y248-P445 HydrophobicContact CD2-CG 4.22Å; Y248-P445 HydrophobicContact CE2-CB 4.37Å; Y248-P445 HydrophobicContact CE2-CG 4.13Å; Y248-F446 HydrophobicContact CD1-CB 4.4Å; Y248-F446 HydrophobicContact CD1-CD2 4.19Å; Y248-F446 HydrophobicContact CE1-CB 3.87Å; Y248-F446 HydrophobicContact CE1-CD2 4.26Å; Y248-F446 HydrophobicContact CE1-CG 4.29Å; Y248-F446 HydrophobicContact CE2-CB 4.09Å
249	E	95.5	Very high	89	Confident	13 Å²	13	31.3 Å²	31.3	6%	0.061	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	172.8	176.9	64.5	172.6	-148.6	0	0	111.5	R23 H257 K259 R261	R23-E249 IonicContact CZ-OE2 2.63Å; R23-E249 IonicContact NH1-OE1 2.67Å; R23-E249 PolarHBondContact NH1-OE1 2.82Å; R23-E249 IonicContact NH1-OE2 2.74Å; R23-E249 PolarHBondContact NH1-OE2 2.83Å; R23-E249 IonicContact NH2-OE2 3.85Å; E249-H257 PolarHBondContact N-O 3.03Å; E249-H257 PolarHBondContact O-N 3.09Å; E249-K259 HydrophobicContact CG-CB 4.48Å; E249-K259 HydrophobicContact CG-CD 3.95Å; E249-K259 HydrophobicContact CG-CG 4.13Å; E249-K259 WeakPolarHBondContact OE1-CD 3.36Å; E249-K259 WeakPolarHBondContact OE1-CE 3.49Å; E249-R261 IonicContact OE1-CZ 3.57Å; E249-R261 IonicContact OE1-NH2 3.83Å; E249-R261 PolarHBondContact OE1-NH2 2.61Å; E249-R261 IonicContact OE2-CZ 3.95Å; E249-R261 IonicContact OE2-NH2 3.99Å; E249-R261 PolarHBondContact OE2-NH2 3.34Å
250	L	95.7	Very high	91.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	134.7	174.7	-65.1	-177	0	0	0	111.9	L30 W69 V73 W76 K255 V256 F341	L30-L250 HydrophobicContact CD1-CB 4.41Å; W69-L250 HydrophobicContact CH2-CD2 3.86Å; W69-L250 HydrophobicContact CZ2-CD2 3.56Å; V73-L250 HydrophobicContact CB-CD1 4.17Å; V73-L250 HydrophobicContact CG1-CD1 3.9Å; V73-L250 HydrophobicContact CG2-CD1 3.85Å; V73-L250 HydrophobicContact CG2-CD2 4.49Å; W76-L250 HydrophobicContact CB-CD1 4.16Å; W76-L250 HydrophobicContact CD2-CB 4.45Å; W76-L250 HydrophobicContact CD2-CD1 3.72Å; W76-L250 HydrophobicContact CD2-CG 4.14Å; W76-L250 HydrophobicContact CE3-CB 4.29Å; W76-L250 HydrophobicContact CE3-CD1 3.62Å; W76-L250 HydrophobicContact CE3-CG 4.28Å; W76-L250 HydrophobicContact CG-CD1 3.95Å; W76-L250 HydrophobicContact CG-CG 4.47Å; W76-L250 HydrophobicContact CH2-CB 4.08Å; W76-L250 HydrophobicContact CZ2-CB 4.26Å; W76-L250 HydrophobicContact CZ3-CB 4.08Å; W76-L250 HydrophobicContact CZ3-CD1 4.19Å; L250-K255 CarbonylContact C-O 3.49Å; L250-K255 WeakPolarHBondContact CA-O 3.26Å; L250-V256 HydrophobicContact CD2-CG2 4.19Å; L250-F341 HydrophobicContact CD2-CE2 3.66Å; L250-F341 HydrophobicContact CD2-CZ 4.24Å; L250-F341 HydrophobicContact CG-CE2 3.82Å; L250-F341 HydrophobicContact CG-CZ 4.31Å
251	G	94.8	Very high	92.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.			trans	-79.3	175.7	166.8	0	0	0	0	0	112.4	L30 D253 G254 K255	L30-G251 WeakPolarHBondContact CD2-O 3.48Å; G251-D253 PolarHBondContact O-N 3.36Å; G251-G254 PolarHBondContact O-N 3.47Å; G251-K255 PolarHBondContact N-O 3.22Å
252	D	92.3	Very high	93.7	Very high	99 Å²	99	23.8 Å²	23.8	53%	0.529	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-20	175.1	59.9	-24.8	0	0	0	113.4	M26 G254	M26-D252 HydrophobicContact CG-CB 4.31Å; D252-G254 VanDerWaalsContact C-N 3.31Å
253	D	93.1	Very high	94.3	Very high	70 Å²	70	24.7 Å²	24.7	37%	0.374	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.6	175.3	74.9	-19.1	0	0	0	114.1	G251 K255 H257	G251-D253 PolarHBondContact O-N 3.36Å; D253-K255 VanDerWaalsContact C-N 3.28Å; D253-K255 PolarHBondContact O-N 3.08Å; D253-K255 VanDerWaalsContact OD1-CB 3.3Å; D253-K255 WeakPolarHBondContact OD1-CB 3.42Å; D253-K255 PolarHBondContact OD1-N 3.45Å; D253-K255 WeakPolarHBondContact OD2-CB 3.33Å; D253-K255 VanDerWaalsContact OD2-CD 3.29Å; D253-K255 WeakPolarHBondContact OD2-CD 3.43Å; D253-K255 WeakPolarHBondContact OD2-CG 3.41Å; D253-K255 IonicContact OD2-NZ 2.88Å; D253-H257 IonicContact OD1-CD2 2.73Å; D253-H257 IonicContact OD1-NE2 3.41Å; D253-H257 PolarHBondContact OD1-NE2 3.4Å; D253-H257 IonicContact OD2-NE2 3.07Å
254	G	93.9	Very high	94.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	78.8	8.5	-178.8	0	0	0	0	0	114.5	Y34 W69 G251 D252	Y34-G254 PolarHBondContact OH-O 3.46Å; W69-G254 PolarHBondContact NE1-O 2.87Å; G251-G254 PolarHBondContact O-N 3.47Å; D252-G254 VanDerWaalsContact C-N 3.31Å
255	K	94.9	Very high	94.7	Very high	109 Å²	109	29.3 Å²	29.3	47%	0.474	14%	0.141	S	C	.	.	S	Bend	trans	-101.4	164.1	177.7	-65.7	-173.3	-164.5	155.6	0	111.2	L250 G251 D253 Y336	L250-K255 CarbonylContact C-O 3.49Å; L250-K255 WeakPolarHBondContact CA-O 3.26Å; G251-K255 PolarHBondContact N-O 3.22Å; D253-K255 VanDerWaalsContact C-N 3.28Å; D253-K255 PolarHBondContact O-N 3.08Å; D253-K255 VanDerWaalsContact OD1-CB 3.3Å; D253-K255 WeakPolarHBondContact OD1-CB 3.42Å; D253-K255 PolarHBondContact OD1-N 3.45Å; D253-K255 WeakPolarHBondContact OD2-CB 3.33Å; D253-K255 VanDerWaalsContact OD2-CD 3.29Å; D253-K255 WeakPolarHBondContact OD2-CD 3.43Å; D253-K255 WeakPolarHBondContact OD2-CG 3.41Å; D253-K255 IonicContact OD2-NZ 2.88Å; K255-Y336 WeakPolarHBondContact CA-OH 3.35Å; K255-Y336 WeakPolarHBondContact CB-OH 3.3Å; K255-Y336 WeakPolarHBondContact CG-OH 3.21Å
256	V	96.3	Very high	94.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.1	173.4	177.7	0	0	0	0	109.6	W69 Y248 L250 V331 Y336 I339 F341 L347 F446	W69-V256 HydrophobicContact CH2-CG2 3.87Å; W69-V256 HydrophobicContact CZ2-CG2 4.27Å; Y248-V256 HydrophobicContact CD1-CG1 4.07Å; L250-V256 HydrophobicContact CD2-CG2 4.19Å; V256-V331 HydrophobicContact CG1-CG2 4.11Å; V256-Y336 HydrophobicContact CB-CE1 4.46Å; V256-Y336 HydrophobicContact CG2-CE1 4.03Å; V256-Y336 PolarHBondContact N-OH 3.19Å; V256-I339 HydrophobicContact CG2-CD1 4.47Å; V256-I339 HydrophobicContact CG2-CG2 4.06Å; V256-F341 HydrophobicContact CG2-CE2 4.03Å; V256-F341 HydrophobicContact CG2-CZ 3.9Å; V256-L347 HydrophobicContact CG1-CD1 4.48Å; V256-F446 HydrophobicContact CB-CE2 4.07Å; V256-F446 HydrophobicContact CG1-CD2 4.11Å; V256-F446 HydrophobicContact CG1-CE2 3.8Å
257	H	97.3	Very high	95	Very high	18 Å²	18	30.6 Å²	30.6	8%	0.083	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.4	176	-81.6	-125.3	0	0	0	109.7	Y248 E249 D253 K259 D328 A329	Y248-H257 WeakPolarHBondContact CA-O 3.47Å; E249-H257 PolarHBondContact N-O 3.03Å; E249-H257 PolarHBondContact O-N 3.09Å; D253-H257 IonicContact OD1-CD2 2.73Å; D253-H257 IonicContact OD1-NE2 3.41Å; D253-H257 PolarHBondContact OD1-NE2 3.4Å; D253-H257 IonicContact OD2-NE2 3.07Å; H257-K259 HydrophobicContact CB-CG 4.27Å; H257-D328 IonicContact CE1-OD1 2.69Å; H257-D328 IonicContact CG-OD1 3.07Å; H257-D328 IonicContact ND1-OD1 2.82Å; H257-D328 PolarHBondContact ND1-OD1 3.28Å; H257-A329 CarbonylContact C-O 3.53Å; H257-A329 WeakPolarHBondContact CA-O 3.43Å
258	F	96.4	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126	163.9	174.5	-93.7	0	0	0	109.4	F243 L244 A247 Y248 V260 L306 P307 I310 F315 D328 A329	F243-F258 HydrophobicContact CE2-CE2 4.08Å; F243-F258 AromaticContact CE2-CZ 3.9Å; F243-F258 HydrophobicContact CE2-CZ 3.9Å; L244-F258 HydrophobicContact CD2-CE2 3.98Å; A247-F258 HydrophobicContact CB-CD2 3.73Å; A247-F258 HydrophobicContact CB-CE2 3.54Å; A247-F258 HydrophobicContact CB-CZ 4.42Å; A247-F258 CarbonylContact O-C 3.49Å; A247-F258 VanDerWaalsContact O-CA 3.32Å; A247-F258 WeakPolarHBondContact O-CA 3.29Å; Y248-F258 HydrophobicContact CD1-CB 4.29Å; Y248-F258 HydrophobicContact CE1-CB 3.96Å; Y248-F258 AromaticContact CE1-CD2 3.99Å; Y248-F258 HydrophobicContact CE1-CD2 3.99Å; Y248-F258 HydrophobicContact CE1-CG 4.48Å; Y248-F258 HydrophobicContact CE2-CD2 4.49Å; Y248-F258 AromaticContact CZ-CD2 3.97Å; F258-V260 HydrophobicContact CE1-CG1 3.71Å; F258-V260 HydrophobicContact CE1-CG2 4.17Å; F258-V260 HydrophobicContact CE2-CG1 4.26Å; F258-V260 HydrophobicContact CZ-CG1 3.51Å; F258-L306 HydrophobicContact CE1-CD2 3.78Å; F258-L306 HydrophobicContact CZ-CD2 4.01Å; F258-P307 HydrophobicContact CE2-CG 4.19Å; F258-I310 HydrophobicContact CB-CD1 3.79Å; F258-I310 HydrophobicContact CB-CG1 3.64Å; F258-I310 HydrophobicContact CB-CG2 4.1Å; F258-I310 HydrophobicContact CD1-CD1 3.5Å; F258-I310 VanDerWaalsContact CD1-CD1 3.5Å; F258-I310 HydrophobicContact CD1-CG1 4.24Å; F258-I310 HydrophobicContact CD1-CG2 4.36Å; F258-I310 HydrophobicContact CD2-CD1 3.29Å; F258-I310 HydrophobicContact CD2-CG1 3.98Å; F258-I310 HydrophobicContact CE1-CD1 3.73Å; F258-I310 HydrophobicContact CE2-CD1 3.53Å; F258-I310 HydrophobicContact CG-CD1 3.23Å; F258-I310 HydrophobicContact CG-CG1 3.72Å; F258-I310 HydrophobicContact CG-CG2 4.43Å; F258-I310 HydrophobicContact CZ-CD1 3.73Å; F258-F315 AromaticContact CD1-CE1 3.96Å; F258-F315 HydrophobicContact CD1-CE1 3.96Å; F258-F315 HydrophobicContact CD1-CZ 4Å; F258-F315 HydrophobicContact CE1-CE1 4.18Å; F258-F315 HydrophobicContact CE1-CZ 4.09Å; F258-D328 WeakPolarHBondContact O-CA 3.5Å; F258-A329 PolarHBondContact N-O 3.27Å; F258-A329 PolarHBondContact O-N 3.03Å
259	K	96.5	Very high	94.8	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.043	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	127.4	178.8	-53.9	-162.2	-152.7	-73.5	0	112	A247 E249 H257 L327 D328	A247-K259 PolarHBondContact O-N 3.28Å; E249-K259 HydrophobicContact CG-CB 4.48Å; E249-K259 HydrophobicContact CG-CD 3.95Å; E249-K259 HydrophobicContact CG-CG 4.13Å; E249-K259 WeakPolarHBondContact OE1-CD 3.36Å; E249-K259 WeakPolarHBondContact OE1-CE 3.49Å; H257-K259 HydrophobicContact CB-CG 4.27Å; K259-L327 VanDerWaalsContact CA-O 3.22Å; K259-L327 WeakPolarHBondContact CA-O 3.19Å; K259-D328 HydrophobicContact CG-CB 4.44Å; K259-D328 IonicContact NZ-OD1 2.65Å; K259-D328 PolarHBondContact NZ-OD1 3.44Å; K259-D328 IonicContact NZ-OD2 3.26Å; K259-D328 PolarHBondContact NZ-OD2 2.93Å
260	V	95.4	Very high	94.8	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.4	170.3	-67.5	0	0	0	0	109.9	F96 F243 F258 F262 L281 L327	F96-V260 HydrophobicContact CE2-CB 4.47Å; F96-V260 HydrophobicContact CE2-CG1 4.47Å; F243-V260 HydrophobicContact CD2-CG1 3.88Å; F243-V260 HydrophobicContact CE2-CG1 3.73Å; F258-V260 HydrophobicContact CE1-CG1 3.71Å; F258-V260 HydrophobicContact CE1-CG2 4.17Å; F258-V260 HydrophobicContact CE2-CG1 4.26Å; F258-V260 HydrophobicContact CZ-CG1 3.51Å; V260-F262 HydrophobicContact CB-CE2 4.38Å; V260-F262 HydrophobicContact CG2-CE2 3.99Å; V260-L281 HydrophobicContact CG2-CD2 3.79Å; V260-L327 HydrophobicContact CG2-CB 3.86Å; V260-L327 HydrophobicContact CG2-CD1 4.29Å; V260-L327 PolarHBondContact N-O 3.27Å; V260-L327 VanDerWaalsContact N-O 3.08Å; V260-L327 PolarHBondContact O-N 2.83Å
261	R	97.3	Very high	94.7	Very high	14 Å²	14	43.5 Å²	43.5	5%	0.053	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137	-170.4	-58.7	176	-173.2	86.7	-5.8	110.2	M95 F96 E249 V324 L325 I326	M95-R261 WeakPolarHBondContact CA-O 3.36Å; M95-R261 HydrophobicContact CG-CB 3.9Å; F96-R261 PolarHBondContact N-O 3.07Å; E249-R261 IonicContact OE1-CZ 3.57Å; E249-R261 IonicContact OE1-NH2 3.83Å; E249-R261 PolarHBondContact OE1-NH2 2.61Å; E249-R261 IonicContact OE2-CZ 3.95Å; E249-R261 IonicContact OE2-NH2 3.99Å; E249-R261 PolarHBondContact OE2-NH2 3.34Å; R261-V324 HydrophobicContact CB-CG1 4.22Å; R261-L325 CarbonylContact C-O 3.51Å; R261-L325 VanDerWaalsContact CA-O 3.29Å; R261-L325 WeakPolarHBondContact CA-O 3.23Å; R261-I326 HydrophobicContact CG-CG1 4.31Å; R261-I326 HydrophobicContact CG-CG2 4.42Å
262	F	96.1	Very high	94.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.5	177.6	-58.9	-107.2	0	0	0	109.5	F96 L98 V260 A264 L281 V283 R302 L325 L327	F96-F262 HydrophobicContact CB-CD1 3.42Å; F96-F262 VanDerWaalsContact CB-CD1 3.42Å; F96-F262 HydrophobicContact CB-CE1 3.63Å; F96-F262 HydrophobicContact CB-CG 4.05Å; F96-F262 HydrophobicContact CB-CZ 4.39Å; F96-F262 HydrophobicContact CD2-CD1 4.44Å; F96-F262 HydrophobicContact CD2-CE1 4.04Å; F96-F262 HydrophobicContact CD2-CE2 4.34Å; F96-F262 AromaticContact CD2-CZ 3.98Å; F96-F262 HydrophobicContact CD2-CZ 3.98Å; F96-F262 HydrophobicContact CG-CD1 4.29Å; F96-F262 HydrophobicContact CG-CE1 4.03Å; F96-F262 HydrophobicContact CG-CZ 4.43Å; F96-F262 CarbonylContact O-C 3.54Å; F96-F262 WeakPolarHBondContact O-CA 3.47Å; L98-F262 HydrophobicContact CD2-CD1 3.93Å; V260-F262 HydrophobicContact CB-CE2 4.38Å; V260-F262 HydrophobicContact CG2-CE2 3.99Å; F262-A264 PolarHBondContact O-N 3.09Å; F262-L281 HydrophobicContact CE2-CD2 4.24Å; F262-L281 HydrophobicContact CZ-CD2 4.28Å; F262-V283 HydrophobicContact CD1-CB 4.35Å; F262-V283 HydrophobicContact CD1-CG2 4.12Å; F262-V283 HydrophobicContact CD2-CG2 4.12Å; F262-V283 HydrophobicContact CE1-CB 4.2Å; F262-V283 HydrophobicContact CE1-CG2 3.77Å; F262-V283 HydrophobicContact CE2-CG2 3.8Å; F262-V283 HydrophobicContact CG-CG2 4.3Å; F262-V283 HydrophobicContact CZ-CG2 3.61Å; F262-R302 HydrophobicContact CD1-CB 4.29Å; F262-R302 HydrophobicContact CD1-CG 4.48Å; F262-R302 HydrophobicContact CE1-CB 3.87Å; F262-R302 HydrophobicContact CE1-CG 3.86Å; F262-L325 HydrophobicContact CB-CB 4.21Å; F262-L325 PolarHBondContact N-O 2.89Å; F262-L325 PolarHBondContact O-N 3.31Å; F262-L327 HydrophobicContact CD2-CD1 3.74Å; F262-L327 HydrophobicContact CE2-CD1 3.62Å
263	D	94.7	Very high	95.1	Very high	58 Å²	58	44 Å²	44	31%	0.31	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	103.2	167.5	-176.6	-0.3	0	0	0	108.3	M95 F96 K265	M95-D263 HydrophobicContact CB-CB 4.44Å; F96-D263 PolarHBondContact O-N 3.09Å; D263-K265 VanDerWaalsContact OD1-CG 3.31Å; D263-K265 WeakPolarHBondContact OD1-CG 3.46Å; D263-K265 PolarHBondContact OD1-N 3.47Å; D263-K265 IonicContact OD1-NZ 3.21Å; D263-K265 PolarHBondContact OD1-NZ 3.13Å; D263-K265 IonicContact OD2-NZ 3.66Å; D263-K265 PolarHBondContact OD2-NZ 3.18Å
264	A	95.8	Very high	95.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.197	C	C	.	.			trans	-120.8	22.1	-175.8	0	0	0	0	0	112.1	F262 D266 F267 I272 G323 L325	F262-A264 PolarHBondContact O-N 3.09Å; A264-D266 PolarHBondContact O-N 3.41Å; A264-F267 HydrophobicContact CB-CD2 4.42Å; A264-F267 PolarHBondContact O-N 2.91Å; A264-I272 HydrophobicContact CB-CD1 3.9Å; A264-G323 CarbonylContact C-O 3.53Å; A264-G323 VanDerWaalsContact CA-O 3.26Å; A264-G323 WeakPolarHBondContact CA-O 3.32Å; A264-G323 WeakPolarHBondContact CB-O 3.37Å; A264-G323 PolarHBondContact N-O 2.76Å; A264-L325 HydrophobicContact CB-CB 4.08Å
265	K	93.7	Very high	95.2	Very high	126 Å²	126	40.9 Å²	40.9	55%	0.548	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.4	-176.5	69.3	180	173.1	-100.9	0	115.5	D263 G323	D263-K265 VanDerWaalsContact OD1-CG 3.31Å; D263-K265 WeakPolarHBondContact OD1-CG 3.46Å; D263-K265 PolarHBondContact OD1-N 3.47Å; D263-K265 IonicContact OD1-NZ 3.21Å; D263-K265 PolarHBondContact OD1-NZ 3.13Å; D263-K265 IonicContact OD2-NZ 3.66Å; D263-K265 PolarHBondContact OD2-NZ 3.18Å; K265-G323 PolarHBondContact N-O 2.8Å; K265-G323 VanDerWaalsContact N-O 3.12Å
266	D	91.2	Very high	95	Very high	95 Å²	95	36.1 Å²	36.1	51%	0.508	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	2.9	-176.6	-79	-57.2	0	0	0	114.1	A264 K287	A264-D266 PolarHBondContact O-N 3.41Å; D266-K287 PolarHBondContact O-NZ 2.82Å; D266-K287 IonicContact OD1-NZ 3.7Å
267	F	93.9	Very high	94.4	Very high	19 Å²	19	37.6 Å²	37.6	8%	0.083	19%	0.187	C	C	.	.	S	Bend	trans	-129.2	148.5	-172.8	-56	-85.6	0	0	0	110.8	L98 A264 I272 A285 K287 F300 M319	L98-F267 HydrophobicContact CB-CE2 4.42Å; L98-F267 HydrophobicContact CD1-CD2 4.09Å; L98-F267 HydrophobicContact CD1-CE2 3.84Å; L98-F267 HydrophobicContact CD1-CZ 4.24Å; A264-F267 HydrophobicContact CB-CD2 4.42Å; A264-F267 PolarHBondContact O-N 2.91Å; F267-I272 HydrophobicContact CB-CD1 3.83Å; F267-I272 HydrophobicContact CB-CG1 3.85Å; F267-A285 HydrophobicContact CD1-CB 3.57Å; F267-A285 HydrophobicContact CE1-CB 3.64Å; F267-A285 HydrophobicContact CG-CB 4.08Å; F267-A285 HydrophobicContact CZ-CB 4.23Å; F267-K287 HydrophobicContact CD1-CB 4.37Å; F267-K287 HydrophobicContact CE1-CB 4.05Å; F267-K287 HydrophobicContact CE1-CD 4.29Å; F267-F300 HydrophobicContact CE1-CB 4.4Å; F267-F300 AromaticContact CE1-CD2 3.62Å; F267-F300 HydrophobicContact CE1-CD2 3.62Å; F267-F300 HydrophobicContact CE1-CE2 4.1Å; F267-F300 HydrophobicContact CE1-CG 4.11Å; F267-F300 HydrophobicContact CZ-CB 4.04Å; F267-F300 HydrophobicContact CZ-CD1 4.21Å; F267-F300 AromaticContact CZ-CD2 3.66Å; F267-F300 HydrophobicContact CZ-CD2 3.66Å; F267-F300 HydrophobicContact CZ-CE2 4.13Å; F267-F300 AromaticContact CZ-CG 3.72Å; F267-F300 HydrophobicContact CZ-CG 3.72Å; F267-M319 VanDerWaalsContact O-CE 3.23Å; F267-M319 WeakPolarHBondContact O-CE 3.49Å
268	L	92.5	Very high	93.6	Very high	93 Å²	93	40.4 Å²	40.4	49%	0.487	20%	0.203	S	C	.	.			trans	-86.5	154.3	167.3	-61.2	174.1	0	0	0	109.7	E270 D271	L268-E270 VanDerWaalsContact CB-CD 3.5Å; L268-E270 HydrophobicContact CB-CG 3.98Å; L268-E270 PolarHBondContact O-N 2.79Å; L268-D271 WeakPolarHBondContact O-CB 3.34Å; L268-D271 PolarHBondContact O-N 2.95Å
269	P	94.1	Very high	92.9	Very high	17 Å²	17	43.2 Å²	43.2	11%	0.11	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-56.3	-34.7	178.5	-26	35.7	0	0	0	113.7	I12 R14 D271 I272 M319	I12-P269 HydrophobicContact CG2-CB 4.17Å; R14-P269 HydrophobicContact CG-CB 4.33Å; R14-P269 HydrophobicContact CG-CG 3.8Å; P269-D271 PolarHBondContact O-N 2.94Å; P269-I272 PolarHBondContact O-N 2.71Å; P269-M319 HydrophobicContact CB-CE 4.43Å; P269-M319 HydrophobicContact CB-SD 4.26Å; P269-M319 HydrophobicContact CG-CB 4.4Å; P269-M319 HydrophobicContact CG-CE 3.44Å; P269-M319 VanDerWaalsContact CG-CE 3.44Å; P269-M319 HydrophobicContact CG-SD 3.77Å
270	E	94.5	Very high	92.4	Very high	119 Å²	119	46.3 Å²	46.3	56%	0.556	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-71	-17.2	177.3	55.7	-91.9	-138.4	0	0	113.9	R14 L268	R14-E270 IonicContact CZ-OE2 3.95Å; R14-E270 IonicContact NH2-OE1 3.74Å; R14-E270 PolarHBondContact NH2-OE1 3.01Å; R14-E270 VanDerWaalsContact NH2-OE1 3.12Å; R14-E270 IonicContact NH2-OE2 3.74Å; R14-E270 PolarHBondContact NH2-OE2 2.87Å; L268-E270 VanDerWaalsContact CB-CD 3.5Å; L268-E270 HydrophobicContact CB-CG 3.98Å; L268-E270 PolarHBondContact O-N 2.79Å
271	D	94.4	Very high	92.2	Very high	60 Å²	60	46.1 Å²	46.1	32%	0.321	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-90.8	-2.7	175.9	-65.5	-32.4	0	0	0	111.8	L268 P269 A285 K286	L268-D271 WeakPolarHBondContact O-CB 3.34Å; L268-D271 PolarHBondContact O-N 2.95Å; P269-D271 PolarHBondContact O-N 2.94Å; D271-A285 CarbonylContact O-C 3.54Å; D271-A285 WeakPolarHBondContact O-CA 3.39Å; D271-K286 WeakPolarHBondContact CB-O 3.44Å; D271-K286 PolarHBondContact O-N 3.49Å
272	I	97.2	Very high	91.9	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.072	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.4	-176.1	-55	171.2	0	0	0	109.8	I12 A264 F267 P269 V274 V283 H284 A285 M319 L325	I12-I272 HydrophobicContact CD1-CB 3.67Å; I12-I272 HydrophobicContact CD1-CG2 3.7Å; I12-I272 WeakPolarHBondContact CD1-O 3.3Å; A264-I272 HydrophobicContact CB-CD1 3.9Å; F267-I272 HydrophobicContact CB-CD1 3.83Å; F267-I272 HydrophobicContact CB-CG1 3.85Å; P269-I272 PolarHBondContact O-N 2.71Å; I272-V274 HydrophobicContact CG2-CG2 4.14Å; I272-V283 HydrophobicContact CG2-CG1 3.79Å; I272-H284 CarbonylContact C-O 3.54Å; I272-H284 WeakPolarHBondContact CA-O 3.35Å; I272-A285 HydrophobicContact CG1-CB 4.01Å; I272-M319 HydrophobicContact CD1-SD 3.78Å; I272-L325 HydrophobicContact CG2-CD2 4.15Å
273	E	97.1	Very high	91.9	Very high	95 Å²	95	50.3 Å²	50.3	44%	0.444	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.6	169.1	176.3	163.3	-149	0	0	110	N9 T275 H284	N9-E273 PolarHBondContact ND2-OE1 3.44Å; E273-T275 HydrophobicContact CG-CG2 3.82Å; E273-H284 PolarHBondContact N-O 3.44Å; E273-H284 PolarHBondContact O-N 3.17Å
274	V	97	Very high	91.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.5	177.5	179.4	0	0	0	0	108.2	I10 I12 I272 L281 R282 V283 L325 L327	I10-V274 HydrophobicContact CB-CB 4.37Å; I10-V274 HydrophobicContact CB-CG1 4.02Å; I10-V274 HydrophobicContact CD1-CG1 4.05Å; I10-V274 HydrophobicContact CG1-CG1 4.49Å; I10-V274 PolarHBondContact N-O 3.39Å; I12-V274 HydrophobicContact CD1-CG2 3.98Å; I12-V274 HydrophobicContact CG1-CG2 4.15Å; I272-V274 HydrophobicContact CG2-CG2 4.14Å; V274-L281 HydrophobicContact CG1-CD1 3.78Å; V274-R282 WeakPolarHBondContact CA-O 3.22Å; V274-V283 HydrophobicContact CG2-CG1 4.38Å; V274-V283 HydrophobicContact CG2-CG2 4.37Å; V274-L325 HydrophobicContact CG2-CD2 4.02Å; V274-L327 HydrophobicContact CG1-CD2 3.47Å; V274-L327 VanDerWaalsContact CG1-CD2 3.47Å; V274-L327 HydrophobicContact CG1-CG 4.5Å
275	T	94.2	Very high	91.9	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.6	179.2	61.3	0	0	0	0	111.7	E7 V8 N9 E273 R282	E7-T275 HydrophobicContact CG-CG2 4.27Å; E7-T275 WeakPolarHBondContact OE1-CB 3.23Å; E7-T275 WeakPolarHBondContact OE1-CG2 3.29Å; E7-T275 PolarHBondContact OE1-OG1 2.8Å; V8-T275 CarbonylContact O-C 3.5Å; V8-T275 VanDerWaalsContact O-CA 3.28Å; V8-T275 WeakPolarHBondContact O-CA 3.2Å; N9-T275 HydrophobicContact CB-CG2 4.35Å; E273-T275 HydrophobicContact CG-CG2 3.82Å; T275-R282 PolarHBondContact N-O 3.06Å; T275-R282 PolarHBondContact O-N 3.12Å
276	T	89.8	Confident	91.9	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.3	167.5	54	0	0	0	0	109.7	E7 V8 I10 H280 L281 L306	E7-T276 WeakPolarHBondContact CA-O 3.34Å; V8-T276 PolarHBondContact N-O 3.48Å; V8-T276 PolarHBondContact O-N 2.85Å; I10-T276 HydrophobicContact CD1-CG2 3.63Å; T276-H280 CarbonylContact C-O 3.56Å; T276-H280 VanDerWaalsContact CA-O 3.22Å; T276-H280 WeakPolarHBondContact CA-O 3.43Å; T276-L281 HydrophobicContact CG2-CB 4.42Å; T276-L281 HydrophobicContact CG2-CD1 3.65Å; T276-L306 HydrophobicContact CG2-CD1 3.87Å
277	V	83.7	Confident	91.7	Very high	33 Å²	33	45.6 Å²	45.6	20%	0.2	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.9	175.5	-177.6	0	0	0	0	107.9	R5 E7 N279 H280	R5-V277 HydrophobicContact CB-CG1 4.44Å; R5-V277 HydrophobicContact CG-CG1 3.73Å; E7-V277 HydrophobicContact CB-CG2 3.94Å; E7-V277 HydrophobicContact CG-CG2 3.76Å; V277-N279 PolarHBondContact O-N 3.36Å; V277-N279 VanDerWaalsContact O-N 3.12Å; V277-H280 PolarHBondContact N-O 2.81Å; V277-H280 WeakPolarHBondContact O-CB 3.21Å; V277-H280 PolarHBondContact O-N 2.61Å
278	D	79.5	Confident	91.3	Very high	76 Å²	76	48 Å²	48	41%	0.406	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-111.8	-169.9	-54.5	-32.5	0	0	0	112.1	R5	R5-D278 VanDerWaalsContact CG-OD1 3.26Å; R5-D278 WeakPolarHBondContact CG-OD1 3.48Å; R5-D278 IonicContact CZ-OD2 3.92Å; R5-D278 IonicContact NE-OD1 3.7Å; R5-D278 IonicContact NE-OD2 2.71Å; R5-D278 PolarHBondContact NE-OD2 3.12Å; R5-D278 IonicContact NH2-OD2 3.61Å; R5-D278 PolarHBondContact NH2-OD2 2.71Å
279	N	81.9	Confident	90.9	Very high	60 Å²	60	46.8 Å²	46.8	32%	0.321	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	27.6	178.4	-57.4	-48.1	0	0	0	111.3	V277 D305 L306	V277-N279 PolarHBondContact O-N 3.36Å; V277-N279 VanDerWaalsContact O-N 3.12Å; N279-D305 CarbonylContact O-C 3.55Å; N279-D305 WeakPolarHBondContact O-CA 3.38Å; N279-L306 PolarHBondContact O-N 3.09Å
280	H	87.1	Confident	90.5	Very high	75 Å²	75	54.1 Å²	54.1	35%	0.347	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.3	-179.9	-59.1	-80.3	0	0	0	110	T276 V277 D305	T276-H280 CarbonylContact C-O 3.56Å; T276-H280 VanDerWaalsContact CA-O 3.22Å; T276-H280 WeakPolarHBondContact CA-O 3.43Å; V277-H280 PolarHBondContact N-O 2.81Å; V277-H280 WeakPolarHBondContact O-CB 3.21Å; V277-H280 PolarHBondContact O-N 2.61Å; H280-D305 VanDerWaalsContact CE1-CG 3.41Å; H280-D305 IonicContact CE1-OD1 3.33Å; H280-D305 PolarHBondContact CE1-OD1 3.09Å; H280-D305 IonicContact CE1-OD2 2.59Å; H280-D305 IonicContact CG-OD1 2.83Å; H280-D305 VanDerWaalsContact ND1-CG 3.32Å; H280-D305 IonicContact ND1-OD1 3.12Å; H280-D305 PolarHBondContact ND1-OD1 3.3Å
281	L	90.2	Very high	89.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.7	167.8	175	70.3	0	0	0	108.8	I10 V260 F262 V274 T276 S303 V304 L306 L327	I10-L281 HydrophobicContact CD1-CD1 4.23Å; V260-L281 HydrophobicContact CG2-CD2 3.79Å; F262-L281 HydrophobicContact CE2-CD2 4.24Å; F262-L281 HydrophobicContact CZ-CD2 4.28Å; V274-L281 HydrophobicContact CG1-CD1 3.78Å; T276-L281 HydrophobicContact CG2-CB 4.42Å; T276-L281 HydrophobicContact CG2-CD1 3.65Å; L281-S303 CarbonylContact O-C 3.58Å; L281-S303 WeakPolarHBondContact O-CA 3.47Å; L281-V304 HydrophobicContact CB-CG2 3.84Å; L281-V304 HydrophobicContact CD2-CG2 3.88Å; L281-V304 HydrophobicContact CG-CG2 4.32Å; L281-V304 PolarHBondContact N-O 3.11Å; L281-V304 PolarHBondContact O-N 2.89Å; L281-L306 HydrophobicContact CB-CD1 3.98Å; L281-L306 HydrophobicContact CB-CD2 3.85Å; L281-L306 HydrophobicContact CB-CG 3.9Å; L281-L327 HydrophobicContact CD1-CD2 3.39Å; L281-L327 HydrophobicContact CD2-CD1 4.27Å; L281-L327 HydrophobicContact CD2-CD2 3.49Å; L281-L327 VanDerWaalsContact CD2-CD2 3.49Å; L281-L327 HydrophobicContact CD2-CG 4.34Å; L281-L327 HydrophobicContact CG-CD2 4.02Å
282	R	92.6	Very high	89.5	Confident	102 Å²	102	53.4 Å²	53.4	39%	0.385	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.3	174.3	-176.4	-177.5	-176.2	-178	3.3	109.4	V274 T275	V274-R282 WeakPolarHBondContact CA-O 3.22Å; T275-R282 PolarHBondContact N-O 3.06Å; T275-R282 PolarHBondContact O-N 3.12Å
283	V	94.7	Very high	89.1	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.4	166.5	-175.5	0	0	0	0	107.1	L98 F262 I272 V274 H301 R302 L325	L98-V283 HydrophobicContact CD1-CG1 4.32Å; L98-V283 HydrophobicContact CD2-CB 3.95Å; L98-V283 HydrophobicContact CD2-CG1 3.67Å; F262-V283 HydrophobicContact CD1-CB 4.35Å; F262-V283 HydrophobicContact CD1-CG2 4.12Å; F262-V283 HydrophobicContact CD2-CG2 4.12Å; F262-V283 HydrophobicContact CE1-CB 4.2Å; F262-V283 HydrophobicContact CE1-CG2 3.77Å; F262-V283 HydrophobicContact CE2-CG2 3.8Å; F262-V283 HydrophobicContact CG-CG2 4.3Å; F262-V283 HydrophobicContact CZ-CG2 3.61Å; I272-V283 HydrophobicContact CG2-CG1 3.79Å; V274-V283 HydrophobicContact CG2-CG1 4.38Å; V274-V283 HydrophobicContact CG2-CG2 4.37Å; V283-H301 CarbonylContact O-C 3.57Å; V283-H301 WeakPolarHBondContact O-CA 3.47Å; V283-R302 PolarHBondContact N-O 2.88Å; V283-R302 PolarHBondContact O-N 2.83Å; V283-L325 HydrophobicContact CG1-CD2 3.78Å; V283-L325 HydrophobicContact CG2-CD2 4.39Å
284	H	95.5	Very high	88.4	Confident	28 Å²	28	60 Å²	60	13%	0.13	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.2	176.6	178.9	-91.2	0	0	0	108.9	I272 E273 E299 F300	I272-H284 CarbonylContact C-O 3.54Å; I272-H284 WeakPolarHBondContact CA-O 3.35Å; E273-H284 PolarHBondContact N-O 3.44Å; E273-H284 PolarHBondContact O-N 3.17Å; H284-E299 IonicContact CE1-OE2 2.65Å; H284-E299 PolarHBondContact CE1-OE2 3.17Å; H284-E299 IonicContact NE2-OE2 2.87Å; H284-E299 PolarHBondContact NE2-OE2 3.25Å; H284-F300 CarbonylContact C-O 3.53Å; H284-F300 WeakPolarHBondContact CA-O 3.35Å
285	A	95.1	Very high	87.9	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.4	178.9	0	0	0	0	0	111.4	L98 F267 D271 I272 E299 F300	L98-A285 HydrophobicContact CD1-CB 3.65Å; F267-A285 HydrophobicContact CD1-CB 3.57Å; F267-A285 HydrophobicContact CE1-CB 3.64Å; F267-A285 HydrophobicContact CG-CB 4.08Å; F267-A285 HydrophobicContact CZ-CB 4.23Å; D271-A285 CarbonylContact O-C 3.54Å; D271-A285 WeakPolarHBondContact O-CA 3.39Å; I272-A285 HydrophobicContact CG1-CB 4.01Å; A285-E299 CarbonylContact O-C 3.6Å; A285-E299 WeakPolarHBondContact O-CA 3.12Å; A285-F300 PolarHBondContact N-O 2.66Å; A285-F300 PolarHBondContact O-N 3.06Å
286	K	93.7	Very high	87.4	Confident	95 Å²	95	66.7 Å²	66.7	41%	0.413	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.2	-177.7	-173.6	175.6	-168.7	164	0	110.7	D271 I297 E299	D271-K286 WeakPolarHBondContact CB-O 3.44Å; D271-K286 PolarHBondContact O-N 3.49Å; K286-I297 HydrophobicContact CD-CG2 4.18Å; K286-I297 HydrophobicContact CG-CG2 3.76Å; K286-E299 HydrophobicContact CG-CG 4.31Å
287	K	87.8	Confident	87.2	Confident	58 Å²	58	70.7 Å²	70.7	25%	0.252	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.6	-179.3	-171.1	163.5	-176.4	157	0	111.3	D266 F267 I289 I297 R298 F300	D266-K287 PolarHBondContact O-NZ 2.82Å; D266-K287 IonicContact OD1-NZ 3.7Å; F267-K287 HydrophobicContact CD1-CB 4.37Å; F267-K287 HydrophobicContact CE1-CB 4.05Å; F267-K287 HydrophobicContact CE1-CD 4.29Å; K287-I289 HydrophobicContact CG-CG1 4.25Å; K287-I297 CarbonylContact O-C 3.57Å; K287-I297 WeakPolarHBondContact O-CA 3.43Å; K287-R298 PolarHBondContact N-O 2.99Å; K287-R298 PolarHBondContact O-N 2.83Å; K287-F300 HydrophobicContact CB-CE2 4.19Å
288	S	85.8	Confident	87.4	Confident	68 Å²	68	76 Å²	76	48%	0.476	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121	173.4	-175	0	0	0	0	110.9	T295	S288-T295 WeakPolarHBondContact OG-CG2 3.19Å
289	I	82.7	Confident	88	Confident	68 Å²	68	75.8 Å²	75.8	35%	0.349	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	113.2	179.5	-55.7	172.5	0	0	0	108	K287 T295 T296	K287-I289 HydrophobicContact CG-CG1 4.25Å; I289-T295 WeakPolarHBondContact O-CA 3.41Å; I289-T296 PolarHBondContact N-O 2.83Å; I289-T296 PolarHBondContact O-N 3.48Å
290	K	85.5	Confident	88.5	Confident	171 Å²	171	74.6 Å²	74.6	74%	0.743	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	124	174.9	-64	-177.7	179.3	178.1	0	109.8	T295	K290-T295 HydrophobicContact CG-CG2 4.27Å
291	S	82.9	Confident	88.6	Confident	87 Å²	87	73.5 Å²	73.5	61%	0.608	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	103.7	175.4	-171.7	0	0	0	0	109.6	N293 S294	S291-N293 PolarHBondContact O-N 2.95Å; S291-S294 PolarHBondContact N-O 3.45Å; S291-S294 PolarHBondContact O-N 2.96Å
292	G	86.2	Confident	88.6	Confident	78 Å²	78	76.6 Å²	76.6	80%	0.804	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	-118.7	-173.9	0	0	0	0	0	111.9
293	N	87.6	Confident	88.4	Confident	181 Å²	181	74.7 Å²	74.7	97%	0.968	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	3.7	178.5	-62.7	3.8	0	0	0	113	S291	S291-N293 PolarHBondContact O-N 2.95Å
294	S	84.1	Confident	88.1	Confident	67 Å²	67	74.9 Å²	74.9	47%	0.469	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142	179.7	-173.3	0	0	0	0	110.9	S291	S291-S294 PolarHBondContact N-O 3.45Å; S291-S294 PolarHBondContact O-N 2.96Å
295	T	84.9	Confident	87.7	Confident	77 Å²	77	75.3 Å²	75.3	47%	0.472	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.9	170.8	-60.4	0	0	0	0	107.8	S288 I289 K290	S288-T295 WeakPolarHBondContact OG-CG2 3.19Å; I289-T295 WeakPolarHBondContact O-CA 3.41Å; K290-T295 HydrophobicContact CG-CG2 4.27Å
296	T	84.3	Confident	87.3	Confident	68 Å²	68	75.6 Å²	75.6	42%	0.417	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.7	174.2	-55.2	0	0	0	0	108.8	I289 R298	I289-T296 PolarHBondContact N-O 2.83Å; I289-T296 PolarHBondContact O-N 3.48Å; T296-R298 HydrophobicContact CG2-CG 4.42Å
297	I	86.1	Confident	87.1	Confident	92 Å²	92	71 Å²	71	47%	0.472	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.6	172.4	-66.7	170.9	0	0	0	107.4	K286 K287 E299	K286-I297 HydrophobicContact CD-CG2 4.18Å; K286-I297 HydrophobicContact CG-CG2 3.76Å; K287-I297 CarbonylContact O-C 3.57Å; K287-I297 WeakPolarHBondContact O-CA 3.43Å; I297-E299 HydrophobicContact CG2-CG 4.48Å
298	R	86.9	Confident	86.9	Confident	144 Å²	144	74.6 Å²	74.6	54%	0.543	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.9	170.6	-66.5	-174.4	-177.9	-178.2	-0.1	108.8	K287 T296 F300	K287-R298 PolarHBondContact N-O 2.99Å; K287-R298 PolarHBondContact O-N 2.83Å; T296-R298 HydrophobicContact CG2-CG 4.42Å; R298-F300 HydrophobicContact CB-CD2 4.5Å; R298-F300 HydrophobicContact CB-CE2 3.69Å; R298-F300 HydrophobicContact CB-CZ 4.29Å
299	E	91.9	Very high	87	Confident	72 Å²	72	72.2 Å²	72.2	34%	0.336	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	145.5	176	-61.5	-168.6	-179.5	0	0	109.6	V101 H284 A285 K286 I297	V101-E299 HydrophobicContact CB-CB 4.1Å; V101-E299 HydrophobicContact CG2-CB 3.81Å; V101-E299 PolarHBondContact N-O 3.21Å; H284-E299 IonicContact CE1-OE2 2.65Å; H284-E299 PolarHBondContact CE1-OE2 3.17Å; H284-E299 IonicContact NE2-OE2 2.87Å; H284-E299 PolarHBondContact NE2-OE2 3.25Å; A285-E299 CarbonylContact O-C 3.6Å; A285-E299 WeakPolarHBondContact O-CA 3.12Å; K286-E299 HydrophobicContact CG-CG 4.31Å; I297-E299 HydrophobicContact CG2-CG 4.48Å
300	F	92.1	Very high	87.4	Confident	35 Å²	35	69 Å²	69	15%	0.154	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.3	179.1	-61.6	-104.3	0	0	0	108.3	L98 E99 P100 F267 H284 A285 K287 R298	L98-F300 HydrophobicContact CB-CB 3.87Å; E99-F300 CarbonylContact O-C 3.6Å; E99-F300 WeakPolarHBondContact O-CA 3.46Å; P100-F300 HydrophobicContact CB-CD1 4.32Å; P100-F300 HydrophobicContact CB-CE1 4.26Å; P100-F300 HydrophobicContact CG-CD1 4.07Å; P100-F300 HydrophobicContact CG-CE1 3.81Å; F267-F300 HydrophobicContact CE1-CB 4.4Å; F267-F300 AromaticContact CE1-CD2 3.62Å; F267-F300 HydrophobicContact CE1-CD2 3.62Å; F267-F300 HydrophobicContact CE1-CE2 4.1Å; F267-F300 HydrophobicContact CE1-CG 4.11Å; F267-F300 HydrophobicContact CZ-CB 4.04Å; F267-F300 HydrophobicContact CZ-CD1 4.21Å; F267-F300 AromaticContact CZ-CD2 3.66Å; F267-F300 HydrophobicContact CZ-CD2 3.66Å; F267-F300 HydrophobicContact CZ-CE2 4.13Å; F267-F300 AromaticContact CZ-CG 3.72Å; F267-F300 HydrophobicContact CZ-CG 3.72Å; H284-F300 CarbonylContact C-O 3.53Å; H284-F300 WeakPolarHBondContact CA-O 3.35Å; A285-F300 PolarHBondContact N-O 2.66Å; A285-F300 PolarHBondContact O-N 3.06Å; K287-F300 HydrophobicContact CB-CE2 4.19Å; R298-F300 HydrophobicContact CB-CD2 4.5Å; R298-F300 HydrophobicContact CB-CE2 3.69Å; R298-F300 HydrophobicContact CB-CZ 4.29Å
301	H	90.7	Very high	87.7	Confident	53 Å²	53	62.5 Å²	62.5	25%	0.245	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.2	178.1	77.3	-60.3	0	0	0	111.9	E99 V101 V283	E99-H301 PolarHBondContact N-O 3.1Å; E99-H301 PolarHBondContact O-N 2.67Å; V101-H301 HydrophobicContact CG2-CB 3.97Å; V101-H301 WeakPolarHBondContact CG2-ND1 3.29Å; V283-H301 CarbonylContact O-C 3.57Å; V283-H301 WeakPolarHBondContact O-CA 3.47Å
302	R	89.2	Confident	87.6	Confident	65 Å²	65	60 Å²	60	25%	0.245	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	136.8	162.3	-172.8	69.7	177.6	-163.4	-6.6	108.3	F96 L98 E99 F262 V283	F96-R302 HydrophobicContact CB-CG 4.32Å; F96-R302 HydrophobicContact CD1-CG 4.42Å; L98-R302 HydrophobicContact CD2-CB 3.9Å; E99-R302 IonicContact OE1-CZ 2.77Å; E99-R302 IonicContact OE1-NH1 2.74Å; E99-R302 PolarHBondContact OE1-NH1 3.49Å; E99-R302 IonicContact OE2-CZ 2.72Å; E99-R302 IonicContact OE2-NH1 3.64Å; E99-R302 PolarHBondContact OE2-NH1 3.32Å; F262-R302 HydrophobicContact CD1-CB 4.29Å; F262-R302 HydrophobicContact CD1-CG 4.48Å; F262-R302 HydrophobicContact CE1-CB 3.87Å; F262-R302 HydrophobicContact CE1-CG 3.86Å; V283-R302 PolarHBondContact N-O 2.88Å; V283-R302 PolarHBondContact O-N 2.83Å
303	S	89.2	Confident	87.6	Confident	61 Å²	61	64.9 Å²	64.9	43%	0.427	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.7	174.5	-58.4	0	0	0	0	110.5	L281	L281-S303 CarbonylContact O-C 3.58Å; L281-S303 WeakPolarHBondContact O-CA 3.47Å
304	V	87.7	Confident	87.7	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.03	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.6	174.1	-60.4	0	0	0	0	109.7	F96 F243 L281	F96-V304 HydrophobicContact CD1-CG1 4.49Å; F96-V304 HydrophobicContact CD2-CG1 4.33Å; F96-V304 HydrophobicContact CE1-CG1 3.98Å; F96-V304 HydrophobicContact CE2-CG1 3.8Å; F96-V304 HydrophobicContact CZ-CG1 3.59Å; F243-V304 HydrophobicContact CE1-CB 4.1Å; F243-V304 HydrophobicContact CE1-CG1 4.4Å; F243-V304 HydrophobicContact CZ-CB 4.03Å; F243-V304 HydrophobicContact CZ-CG2 4.46Å; L281-V304 HydrophobicContact CB-CG2 3.84Å; L281-V304 HydrophobicContact CD2-CG2 3.88Å; L281-V304 HydrophobicContact CG-CG2 4.32Å; L281-V304 PolarHBondContact N-O 3.11Å; L281-V304 PolarHBondContact O-N 2.89Å
305	D	86.9	Confident	88.1	Confident	37 Å²	37	58 Å²	58	20%	0.198	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	141.6	176.2	-46.3	-14.5	0	0	0	109.8	M241 F243 N279 H280	M241-D305 HydrophobicContact CE-CB 3.2Å; M241-D305 WeakPolarHBondContact CE-OD2 3.26Å; M241-D305 HydrophobicContact SD-CB 3.97Å; F243-D305 WeakPolarHBondContact CZ-O 3.07Å; N279-D305 CarbonylContact O-C 3.55Å; N279-D305 WeakPolarHBondContact O-CA 3.38Å; H280-D305 VanDerWaalsContact CE1-CG 3.41Å; H280-D305 IonicContact CE1-OD1 3.33Å; H280-D305 PolarHBondContact CE1-OD1 3.09Å; H280-D305 IonicContact CE1-OD2 2.59Å; H280-D305 IonicContact CG-OD1 2.83Å; H280-D305 VanDerWaalsContact ND1-CG 3.32Å; H280-D305 IonicContact ND1-OD1 3.12Å; H280-D305 PolarHBondContact ND1-OD1 3.3Å
306	L	88	Confident	88.6	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.026	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-100	125.3	-176	-64.8	179	0	0	0	110.1	F258 T276 N279 L281 F315	F258-L306 HydrophobicContact CE1-CD2 3.78Å; F258-L306 HydrophobicContact CZ-CD2 4.01Å; T276-L306 HydrophobicContact CG2-CD1 3.87Å; N279-L306 PolarHBondContact O-N 3.09Å; L281-L306 HydrophobicContact CB-CD1 3.98Å; L281-L306 HydrophobicContact CB-CD2 3.85Å; L281-L306 HydrophobicContact CB-CG 3.9Å; L306-F315 HydrophobicContact CD1-CE2 3.68Å; L306-F315 HydrophobicContact CD1-CZ 3.99Å; L306-F315 HydrophobicContact CD2-CE2 4.39Å; L306-F315 HydrophobicContact CD2-CZ 3.84Å
307	P	88.8	Confident	89.3	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-52.8	142.6	168.1	-28.7	31.6	0	0	0	113.6	L244 F258 S309 I310 H312 D444 L464	L244-P307 HydrophobicContact CD1-CG 4.33Å; L244-P307 HydrophobicContact CD2-CG 3.4Å; F258-P307 HydrophobicContact CE2-CG 4.19Å; P307-S309 PolarHBondContact O-N 2.93Å; P307-I310 HydrophobicContact CB-CD1 3.71Å; P307-I310 HydrophobicContact CB-CG1 4.14Å; P307-I310 VanDerWaalsContact CD-CD1 3.42Å; P307-I310 HydrophobicContact CG-CD1 3.72Å; P307-I310 PolarHBondContact O-N 3.5Å; P307-H312 PolarHBondContact O-NE2 3.26Å; P307-D444 HydrophobicContact CB-CB 3.99Å; P307-D444 HydrophobicContact CG-CB 4.35Å; P307-L464 HydrophobicContact CB-CD2 4.4Å
308	R	84.6	Confident	89.8	Confident	132 Å²	132	53.8 Å²	53.8	50%	0.498	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.8	177	-60.4	-175	-172.1	-153.8	3.9	113.2	I310 K332 T466	R308-I310 PolarHBondContact O-N 2.81Å; R308-K332 PolarHBondContact O-NZ 3.44Å; R308-T466 PolarHBondContact NH2-OG1 3.28Å
309	S	87.5	Confident	90.3	Very high	18 Å²	18	47.8 Å²	47.8	13%	0.126	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20	178.1	59.5	0	0	0	0	113.1	Y248 P307 V331 K332 D444	Y248-S309 PolarHBondContact OH-OG 3.36Å; P307-S309 PolarHBondContact O-N 2.93Å; S309-V331 VanDerWaalsContact O-CG1 3.22Å; S309-V331 WeakPolarHBondContact O-CG1 3.31Å; S309-K332 WeakPolarHBondContact O-CB 3.33Å; S309-K332 WeakPolarHBondContact O-CG 3.37Å; S309-K332 PolarHBondContact O-N 3.09Å; S309-D444 WeakPolarHBondContact CB-OD2 3.49Å; S309-D444 PolarHBondContact OG-OD2 3.37Å
310	I	91.5	Very high	90.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-81.3	147	-176.6	-57.3	155.8	0	0	0	110.2	F258 P307 R308 H312 F315 A329 K332	F258-I310 HydrophobicContact CB-CD1 3.79Å; F258-I310 HydrophobicContact CB-CG1 3.64Å; F258-I310 HydrophobicContact CB-CG2 4.1Å; F258-I310 HydrophobicContact CD1-CD1 3.5Å; F258-I310 VanDerWaalsContact CD1-CD1 3.5Å; F258-I310 HydrophobicContact CD1-CG1 4.24Å; F258-I310 HydrophobicContact CD1-CG2 4.36Å; F258-I310 HydrophobicContact CD2-CD1 3.29Å; F258-I310 HydrophobicContact CD2-CG1 3.98Å; F258-I310 HydrophobicContact CE1-CD1 3.73Å; F258-I310 HydrophobicContact CE2-CD1 3.53Å; F258-I310 HydrophobicContact CG-CD1 3.23Å; F258-I310 HydrophobicContact CG-CG1 3.72Å; F258-I310 HydrophobicContact CG-CG2 4.43Å; F258-I310 HydrophobicContact CZ-CD1 3.73Å; P307-I310 HydrophobicContact CB-CD1 3.71Å; P307-I310 HydrophobicContact CB-CG1 4.14Å; P307-I310 VanDerWaalsContact CD-CD1 3.42Å; P307-I310 HydrophobicContact CG-CD1 3.72Å; P307-I310 PolarHBondContact O-N 3.5Å; R308-I310 PolarHBondContact O-N 2.81Å; I310-H312 PolarHBondContact O-CD2 2.75Å; I310-H312 PolarHBondContact O-N 3.14Å; I310-F315 HydrophobicContact CG2-CE2 4.02Å; I310-F315 HydrophobicContact CG2-CZ 3.75Å; I310-A329 HydrophobicContact CG2-CB 3.41Å; I310-A329 VanDerWaalsContact CG2-CB 3.41Å; I310-K332 WeakPolarHBondContact O-CD 3.28Å; I310-K332 WeakPolarHBondContact O-CE 3.2Å; I310-K332 PolarHBondContact O-NZ 2.6Å
311	D	90	Very high	90.9	Very high	35 Å²	35	49.8 Å²	49.8	19%	0.187	24%	0.239	C	C	.	.			trans	-82.7	91.7	170.6	-170.2	2.5	0	0	0	111.5	E313 N314 P330 K332	D311-E313 PolarHBondContact O-N 2.82Å; D311-E313 PolarHBondContact OD1-N 2.72Å; D311-N314 PolarHBondContact O-N 2.8Å; D311-N314 PolarHBondContact OD2-ND2 3.35Å; D311-P330 HydrophobicContact CB-CG 4.05Å; D311-P330 WeakPolarHBondContact CB-O 3.42Å; D311-P330 PolarHBondContact N-O 2.85Å; D311-K332 HydrophobicContact CB-CG 4.07Å
312	H	82.6	Confident	91.2	Very high	36 Å²	36	49.6 Å²	49.6	17%	0.167	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-67.1	-23.9	-174.7	-60.1	-173.7	0	0	0	112.9	P307 I310 N314 F315	P307-H312 PolarHBondContact O-NE2 3.26Å; I310-H312 PolarHBondContact O-CD2 2.75Å; I310-H312 PolarHBondContact O-N 3.14Å; H312-N314 PolarHBondContact O-N 2.81Å; H312-F315 HydrophobicContact CB-CD2 4.19Å; H312-F315 HydrophobicContact CB-CE2 4.15Å; H312-F315 AromaticContact CD2-CE2 3.9Å; H312-F315 WeakPolarHBondContact O-CD2 3.43Å
313	E	84.6	Confident	91.6	Very high	179 Å²	179	46.8 Å²	46.8	84%	0.836	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-71.5	-22.5	179.6	-62.5	-178.2	-177.3	0	0	112.1	D311	D311-E313 PolarHBondContact O-N 2.82Å; D311-E313 PolarHBondContact OD1-N 2.72Å
314	N	90.6	Very high	92.1	Very high	87 Å²	87	44 Å²	44	47%	0.465	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-109.6	25.8	-176.9	-72.3	-69.1	0	0	0	112.9	D311 H312 Q316 P330	D311-N314 PolarHBondContact O-N 2.8Å; D311-N314 PolarHBondContact OD2-ND2 3.35Å; H312-N314 PolarHBondContact O-N 2.81Å; N314-Q316 PolarHBondContact O-N 2.74Å; N314-P330 HydrophobicContact CB-CG 3.92Å
315	F	92.4	Very high	92.6	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.079	21%	0.209	C	C	.	.			trans	-63.6	131.3	169.7	-93.8	-68.9	0	0	0	111.5	I10 F258 L306 I310 H312 L327 D328 A329	I10-F315 HydrophobicContact CD1-CB 3.64Å; I10-F315 HydrophobicContact CD1-CG 4.08Å; I10-F315 HydrophobicContact CG1-CB 4.28Å; F258-F315 AromaticContact CD1-CE1 3.96Å; F258-F315 HydrophobicContact CD1-CE1 3.96Å; F258-F315 HydrophobicContact CD1-CZ 4Å; F258-F315 HydrophobicContact CE1-CE1 4.18Å; F258-F315 HydrophobicContact CE1-CZ 4.09Å; L306-F315 HydrophobicContact CD1-CE2 3.68Å; L306-F315 HydrophobicContact CD1-CZ 3.99Å; L306-F315 HydrophobicContact CD2-CE2 4.39Å; L306-F315 HydrophobicContact CD2-CZ 3.84Å; I310-F315 HydrophobicContact CG2-CE2 4.02Å; I310-F315 HydrophobicContact CG2-CZ 3.75Å; H312-F315 HydrophobicContact CB-CD2 4.19Å; H312-F315 HydrophobicContact CB-CE2 4.15Å; H312-F315 AromaticContact CD2-CE2 3.9Å; H312-F315 WeakPolarHBondContact O-CD2 3.43Å; F315-L327 HydrophobicContact CD1-CB 4.43Å; F315-D328 CarbonylContact C-O 3.5Å; F315-D328 WeakPolarHBondContact CA-O 3.48Å; F315-A329 HydrophobicContact CD1-CB 3.5Å; F315-A329 HydrophobicContact CD2-CB 4.19Å; F315-A329 HydrophobicContact CE1-CB 3.49Å; F315-A329 VanDerWaalsContact CE1-CB 3.49Å; F315-A329 HydrophobicContact CE2-CB 4.15Å; F315-A329 HydrophobicContact CG-CB 3.85Å; F315-A329 HydrophobicContact CZ-CB 3.81Å
316	Q	95.8	Very high	93.1	Very high	113 Å²	113	42.2 Å²	42.2	53%	0.528	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.1	172.3	-58.9	-176.8	-14	0	0	109.7	N314 L327 D328	N314-Q316 PolarHBondContact O-N 2.74Å; Q316-L327 WeakPolarHBondContact O-CA 3.49Å; Q316-D328 PolarHBondContact N-O 3.15Å; Q316-D328 PolarHBondContact O-N 2.83Å
317	C	97.4	Very high	93.5	Very high	1 Å²	1	42 Å²	42	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.4	177.9	-170.1	0	0	0	0	110.8	I10 I12 S13 L325 I326 L327	I10-C317 HydrophobicContact CG2-CB 3.58Å; I12-C317 HydrophobicContact CG1-CB 4.5Å; S13-C317 PolarHBondContact N-O 3.33Å; C317-L325 WeakPolarHBondContact SG-CD1 3.49Å; C317-I326 WeakPolarHBondContact CA-O 3.29Å; C317-L327 HydrophobicContact CB-CG 4.32Å
318	H	97.5	Very high	93.9	Very high	34 Å²	34	42.6 Å²	42.6	16%	0.157	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.8	-178.4	-55.8	80.9	0	0	0	110.5	S13 R22 L325 I326	S13-H318 CarbonylContact O-C 3.57Å; S13-H318 WeakPolarHBondContact O-CA 3.1Å; R22-H318 PolarHBondContact NH2-ND1 2.8Å; H318-L325 CarbonylContact O-C 3.5Å; H318-L325 WeakPolarHBondContact O-CA 3.38Å; H318-I326 PolarHBondContact N-O 2.81Å; H318-I326 PolarHBondContact O-N 3.46Å
319	M	98.2	Very high	94.5	Very high	17 Å²	17	36.3 Å²	36.3	8%	0.084	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.1	173.2	-165.6	163.9	121	0	0	110.6	I12 S13 D15 F267 P269 I272 L325	I12-M319 HydrophobicContact CG2-CB 3.83Å; S13-M319 PolarHBondContact O-N 2.82Å; D15-M319 PolarHBondContact N-O 3.3Å; F267-M319 VanDerWaalsContact O-CE 3.23Å; F267-M319 WeakPolarHBondContact O-CE 3.49Å; P269-M319 HydrophobicContact CB-CE 4.43Å; P269-M319 HydrophobicContact CB-SD 4.26Å; P269-M319 HydrophobicContact CG-CB 4.4Å; P269-M319 HydrophobicContact CG-CE 3.44Å; P269-M319 VanDerWaalsContact CG-CE 3.44Å; P269-M319 HydrophobicContact CG-SD 3.77Å; I272-M319 HydrophobicContact CD1-SD 3.78Å; M319-L325 HydrophobicContact CB-CD1 3.99Å; M319-L325 HydrophobicContact CG-CD1 4.32Å; M319-L325 HydrophobicContact SD-CD1 4.35Å
320	T	98.4	Very high	94.9	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.031	19%	0.186	C	C	.	.			trans	-75.7	162.6	179.3	54.3	0	0	0	0	112.2	D15 R17 D322 G323 V324 I326	D15-T320 CarbonylContact O-C 3.52Å; R17-T320 VanDerWaalsContact O-CB 3.31Å; R17-T320 WeakPolarHBondContact O-CB 3.37Å; T320-D322 VanDerWaalsContact C-N 3.25Å; T320-D322 PolarHBondContact O-N 3.47Å; T320-D322 PolarHBondContact OG1-OD1 3.18Å; T320-D322 VanDerWaalsContact OG1-OD1 3.14Å; T320-G323 PolarHBondContact O-N 2.66Å; T320-V324 PolarHBondContact N-O 2.81Å; T320-V324 WeakPolarHBondContact OG1-CA 3.43Å; T320-V324 VanDerWaalsContact OG1-CB 3.24Å; T320-V324 WeakPolarHBondContact OG1-CB 3.49Å; T320-V324 PolarHBondContact OG1-N 3.4Å; T320-V324 PolarHBondContact OG1-O 3.44Å; T320-I326 HydrophobicContact CG2-CD1 3.84Å
321	E	97.6	Very high	95	Very high	144 Å²	144	37.9 Å²	37.9	67%	0.673	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.1	-179.4	-175.4	-180	-151.3	0	0	112.7	D15 R17 G323	D15-E321 PolarHBondContact O-N 3.4Å; D15-E321 VanDerWaalsContact O-N 3.09Å; R17-E321 PolarHBondContact O-N 2.88Å; E321-G323 VanDerWaalsContact C-N 3.25Å; E321-G323 PolarHBondContact O-N 2.88Å
322	D	97.5	Very high	95.1	Very high	50 Å²	50	41 Å²	41	27%	0.267	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	15	176.9	66.2	-40.9	0	0	0	113.4	T18 F19 R92 T320	T18-D322 WeakPolarHBondContact CA-OD1 3.29Å; T18-D322 HydrophobicContact CG2-CB 4.33Å; F19-D322 PolarHBondContact N-OD1 2.54Å; R92-D322 IonicContact CZ-OD2 3.95Å; R92-D322 IonicContact NH1-OD2 3.76Å; R92-D322 IonicContact NH2-OD2 3.8Å; R92-D322 PolarHBondContact NH2-OD2 2.51Å; T320-D322 VanDerWaalsContact C-N 3.25Å; T320-D322 PolarHBondContact O-N 3.47Å; T320-D322 PolarHBondContact OG1-OD1 3.18Å; T320-D322 VanDerWaalsContact OG1-OD1 3.14Å
323	G	97.4	Very high	95.3	Very high	5 Å²	5	42.5 Å²	42.5	5%	0.052	22%	0.22	C	C	.	.	S	Bend	trans	83.1	18.7	167.6	0	0	0	0	0	115.8	A264 K265 T320 E321	A264-G323 CarbonylContact C-O 3.53Å; A264-G323 VanDerWaalsContact CA-O 3.26Å; A264-G323 WeakPolarHBondContact CA-O 3.32Å; A264-G323 WeakPolarHBondContact CB-O 3.37Å; A264-G323 PolarHBondContact N-O 2.76Å; K265-G323 PolarHBondContact N-O 2.8Å; K265-G323 VanDerWaalsContact N-O 3.12Å; T320-G323 PolarHBondContact O-N 2.66Å; E321-G323 VanDerWaalsContact C-N 3.25Å; E321-G323 PolarHBondContact O-N 2.88Å
324	V	98.3	Very high	95.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.7	171.6	-172.8	0	0	0	0	109	F19 M95 R261 T320 I326	F19-V324 HydrophobicContact CB-CB 4.18Å; F19-V324 HydrophobicContact CB-CG2 3.76Å; F19-V324 HydrophobicContact CD2-CG1 4.27Å; F19-V324 HydrophobicContact CG-CB 4.45Å; F19-V324 HydrophobicContact CG-CG1 4.45Å; F19-V324 HydrophobicContact CG-CG2 4.14Å; M95-V324 HydrophobicContact CE-CB 4.34Å; M95-V324 HydrophobicContact CE-CG1 3.56Å; M95-V324 HydrophobicContact CE-CG2 3.79Å; M95-V324 HydrophobicContact SD-CG1 3.89Å; M95-V324 HydrophobicContact SD-CG2 3.96Å; R261-V324 HydrophobicContact CB-CG1 4.22Å; T320-V324 PolarHBondContact N-O 2.81Å; T320-V324 WeakPolarHBondContact OG1-CA 3.43Å; T320-V324 VanDerWaalsContact OG1-CB 3.24Å; T320-V324 WeakPolarHBondContact OG1-CB 3.49Å; T320-V324 PolarHBondContact OG1-N 3.4Å; T320-V324 PolarHBondContact OG1-O 3.44Å; V324-I326 HydrophobicContact CB-CG1 4.46Å; V324-I326 HydrophobicContact CG1-CD1 4.17Å; V324-I326 HydrophobicContact CG1-CG1 3.77Å
325	L	98.4	Very high	95.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.5	170.4	-171.5	75.3	0	0	0	108.7	I12 R261 F262 A264 I272 V274 V283 C317 H318 M319 L327	I12-L325 HydrophobicContact CD1-CD1 4.13Å; I12-L325 HydrophobicContact CG1-CD1 4.4Å; I12-L325 HydrophobicContact CG2-CD1 3.77Å; R261-L325 CarbonylContact C-O 3.51Å; R261-L325 VanDerWaalsContact CA-O 3.29Å; R261-L325 WeakPolarHBondContact CA-O 3.23Å; F262-L325 HydrophobicContact CB-CB 4.21Å; F262-L325 PolarHBondContact N-O 2.89Å; F262-L325 PolarHBondContact O-N 3.31Å; A264-L325 HydrophobicContact CB-CB 4.08Å; I272-L325 HydrophobicContact CG2-CD2 4.15Å; V274-L325 HydrophobicContact CG2-CD2 4.02Å; V283-L325 HydrophobicContact CG1-CD2 3.78Å; V283-L325 HydrophobicContact CG2-CD2 4.39Å; C317-L325 WeakPolarHBondContact SG-CD1 3.49Å; H318-L325 CarbonylContact O-C 3.5Å; H318-L325 WeakPolarHBondContact O-CA 3.38Å; M319-L325 HydrophobicContact CB-CD1 3.99Å; M319-L325 HydrophobicContact CG-CD1 4.32Å; M319-L325 HydrophobicContact SD-CD1 4.35Å; L325-L327 HydrophobicContact CD2-CD1 4.3Å; L325-L327 HydrophobicContact CG-CD1 4.34Å
326	I	97.9	Very high	95.3	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.8	-171.6	-54.5	176.7	0	0	0	108	F19 R261 C317 H318 T320 V324	F19-I326 HydrophobicContact CD2-CD1 3.67Å; F19-I326 HydrophobicContact CE2-CD1 4.02Å; R261-I326 HydrophobicContact CG-CG1 4.31Å; R261-I326 HydrophobicContact CG-CG2 4.42Å; C317-I326 WeakPolarHBondContact CA-O 3.29Å; H318-I326 PolarHBondContact N-O 2.81Å; H318-I326 PolarHBondContact O-N 3.46Å; T320-I326 HydrophobicContact CG2-CD1 3.84Å; V324-I326 HydrophobicContact CB-CG1 4.46Å; V324-I326 HydrophobicContact CG1-CD1 4.17Å; V324-I326 HydrophobicContact CG1-CG1 3.77Å
327	L	97.1	Very high	95	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.1	170.8	-63.7	91.6	0	0	0	109.2	I10 K259 V260 F262 V274 L281 F315 Q316 C317 L325	I10-L327 HydrophobicContact CD1-CD2 4.39Å; K259-L327 VanDerWaalsContact CA-O 3.22Å; K259-L327 WeakPolarHBondContact CA-O 3.19Å; V260-L327 HydrophobicContact CG2-CB 3.86Å; V260-L327 HydrophobicContact CG2-CD1 4.29Å; V260-L327 PolarHBondContact N-O 3.27Å; V260-L327 VanDerWaalsContact N-O 3.08Å; V260-L327 PolarHBondContact O-N 2.83Å; F262-L327 HydrophobicContact CD2-CD1 3.74Å; F262-L327 HydrophobicContact CE2-CD1 3.62Å; V274-L327 HydrophobicContact CG1-CD2 3.47Å; V274-L327 VanDerWaalsContact CG1-CD2 3.47Å; V274-L327 HydrophobicContact CG1-CG 4.5Å; L281-L327 HydrophobicContact CD1-CD2 3.39Å; L281-L327 HydrophobicContact CD2-CD1 4.27Å; L281-L327 HydrophobicContact CD2-CD2 3.49Å; L281-L327 VanDerWaalsContact CD2-CD2 3.49Å; L281-L327 HydrophobicContact CD2-CG 4.34Å; L281-L327 HydrophobicContact CG-CD2 4.02Å; F315-L327 HydrophobicContact CD1-CB 4.43Å; Q316-L327 WeakPolarHBondContact O-CA 3.49Å; C317-L327 HydrophobicContact CB-CG 4.32Å; L325-L327 HydrophobicContact CD2-CD1 4.3Å; L325-L327 HydrophobicContact CG-CD1 4.34Å
328	D	97.1	Very high	94.8	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.9	-167.4	-168.9	-11.6	0	0	0	109.2	H257 F258 K259 F315 Q316	H257-D328 IonicContact CE1-OD1 2.69Å; H257-D328 IonicContact CG-OD1 3.07Å; H257-D328 IonicContact ND1-OD1 2.82Å; H257-D328 PolarHBondContact ND1-OD1 3.28Å; F258-D328 WeakPolarHBondContact O-CA 3.5Å; K259-D328 HydrophobicContact CG-CB 4.44Å; K259-D328 IonicContact NZ-OD1 2.65Å; K259-D328 PolarHBondContact NZ-OD1 3.44Å; K259-D328 IonicContact NZ-OD2 3.26Å; K259-D328 PolarHBondContact NZ-OD2 2.93Å; F315-D328 CarbonylContact C-O 3.5Å; F315-D328 WeakPolarHBondContact CA-O 3.48Å; Q316-D328 PolarHBondContact N-O 3.15Å; Q316-D328 PolarHBondContact O-N 2.83Å
329	A	96.1	Very high	94.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.3	174	0	0	0	0	0	111	H257 F258 I310 F315	H257-A329 CarbonylContact C-O 3.53Å; H257-A329 WeakPolarHBondContact CA-O 3.43Å; F258-A329 PolarHBondContact N-O 3.27Å; F258-A329 PolarHBondContact O-N 3.03Å; I310-A329 HydrophobicContact CG2-CB 3.41Å; I310-A329 VanDerWaalsContact CG2-CB 3.41Å; F315-A329 HydrophobicContact CD1-CB 3.5Å; F315-A329 HydrophobicContact CD2-CB 4.19Å; F315-A329 HydrophobicContact CE1-CB 3.49Å; F315-A329 VanDerWaalsContact CE1-CB 3.49Å; F315-A329 HydrophobicContact CE2-CB 4.15Å; F315-A329 HydrophobicContact CG-CB 3.85Å; F315-A329 HydrophobicContact CZ-CB 3.81Å
330	P	96	Very high	94.4	Very high	39 Å²	39	33.4 Å²	33.4	25%	0.253	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	159.1	171.6	28.3	-29.7	0	0	0	110.8	D311 N314	D311-P330 HydrophobicContact CB-CG 4.05Å; D311-P330 WeakPolarHBondContact CB-O 3.42Å; D311-P330 PolarHBondContact N-O 2.85Å; N314-P330 HydrophobicContact CB-CG 3.92Å
331	V	94.7	Very high	94.2	Very high	12 Å²	12	33.3 Å²	33.3	7%	0.073	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-97.6	141.9	176.2	-164.2	0	0	0	0	110.8	Y248 V256 S309 F446	Y248-V331 HydrophobicContact CD1-CG2 3.96Å; Y248-V331 HydrophobicContact CE1-CG2 3.79Å; V256-V331 HydrophobicContact CG1-CG2 4.11Å; S309-V331 VanDerWaalsContact O-CG1 3.22Å; S309-V331 WeakPolarHBondContact O-CG1 3.31Å; V331-F446 HydrophobicContact CB-CD1 4.41Å; V331-F446 HydrophobicContact CB-CD2 4.42Å; V331-F446 HydrophobicContact CB-CE1 4.04Å; V331-F446 HydrophobicContact CB-CE2 4.06Å; V331-F446 HydrophobicContact CB-CZ 3.85Å; V331-F446 HydrophobicContact CG1-CB 4.48Å; V331-F446 HydrophobicContact CG1-CD1 3.26Å; V331-F446 HydrophobicContact CG1-CD2 3.91Å; V331-F446 HydrophobicContact CG1-CE1 3.21Å; V331-F446 HydrophobicContact CG1-CE2 3.87Å; V331-F446 HydrophobicContact CG1-CG 3.62Å; V331-F446 HydrophobicContact CG1-CZ 3.52Å; V331-F446 HydrophobicContact CG2-CD2 4.33Å; V331-F446 HydrophobicContact CG2-CE2 4.24Å
332	K	90.7	Very high	93.9	Very high	99 Å²	99	29 Å²	29	43%	0.43	15%	0.154	S	C	.	.	S	Bend	trans	-71.9	127.7	-177.9	-66.9	166.6	168	142.3	0	111	R308 S309 I310 D311	R308-K332 PolarHBondContact O-NZ 3.44Å; S309-K332 WeakPolarHBondContact O-CB 3.33Å; S309-K332 WeakPolarHBondContact O-CG 3.37Å; S309-K332 PolarHBondContact O-N 3.09Å; I310-K332 WeakPolarHBondContact O-CD 3.28Å; I310-K332 WeakPolarHBondContact O-CE 3.2Å; I310-K332 PolarHBondContact O-NZ 2.6Å; D311-K332 HydrophobicContact CB-CG 4.07Å
333	A	86.9	Confident	93.4	Very high	69 Å²	69	31.4 Å²	31.4	57%	0.57	17%	0.167	S	C	*	.	S	Bend	trans	46.7	57.3	169.8	0	0	0	0	0	115.1
334	P	87.4	Confident	92.9	Very high	40 Å²	40	33.8 Å²	33.8	26%	0.26	18%	0.179	S	C	.	.			trans	-57.2	138	178.1	25.1	-36.3	0	0	0	112.4	Y336 I339 F446	P334-Y336 HydrophobicContact CB-CD1 4.34Å; P334-Y336 HydrophobicContact CB-CD2 4.05Å; P334-Y336 HydrophobicContact CB-CE1 3.87Å; P334-Y336 HydrophobicContact CB-CE2 3.56Å; P334-Y336 HydrophobicContact CB-CG 4.41Å; P334-Y336 VanDerWaalsContact CB-CZ 3.45Å; P334-Y336 HydrophobicContact CG-CD2 4.09Å; P334-Y336 HydrophobicContact CG-CE1 4.35Å; P334-Y336 HydrophobicContact CG-CE2 3.29Å; P334-Y336 VanDerWaalsContact CG-CZ 3.44Å; P334-Y336 WeakPolarHBondContact CG-OH 3.36Å; P334-I339 HydrophobicContact CB-CD1 4.11Å; P334-F446 HydrophobicContact CB-CZ 3.77Å
335	D	90	Very high	92.6	Very high	38 Å²	38	34.3 Å²	34.3	20%	0.203	18%	0.18	C	C	.	.			trans	-102.8	83.5	164.6	-171.4	36.1	0	0	0	109.6	R337 T338 I339 R352	D335-R337 PolarHBondContact O-N 3.24Å; D335-R337 VanDerWaalsContact OD1-CG 3.28Å; D335-R337 WeakPolarHBondContact OD1-CG 3.49Å; D335-R337 IonicContact OD1-CZ 3.45Å; D335-R337 IonicContact OD1-NE 3.1Å; D335-R337 PolarHBondContact OD1-NE 3.19Å; D335-R337 IonicContact OD1-NH2 2.8Å; D335-R337 PolarHBondContact OD1-NH2 3.41Å; D335-R337 IonicContact OD2-NE 3.59Å; D335-R337 IonicContact OD2-NH2 2.76Å; D335-T338 PolarHBondContact O-N 2.9Å; D335-T338 PolarHBondContact O-OG1 2.86Å; D335-T338 VanDerWaalsContact O-OG1 3.09Å; D335-T338 WeakPolarHBondContact OD2-CG2 3.47Å; D335-I339 WeakPolarHBondContact O-CG1 3.43Å; D335-I339 PolarHBondContact O-N 3.01Å; D335-R352 IonicContact OD2-CZ 2.67Å; D335-R352 IonicContact OD2-NE 3.57Å; D335-R352 PolarHBondContact OD2-NE 2.92Å; D335-R352 IonicContact OD2-NH2 3.37Å; D335-R352 PolarHBondContact OD2-NH2 2.98Å
336	Y	92.2	Very high	92.4	Very high	51 Å²	51	35.1 Å²	35.1	20%	0.2	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-9.3	-176.1	-68.8	-64.2	0	0	0	115.1	W69 K255 V256 P334 I339	W69-Y336 AromaticContact CD2-CD1 3.71Å; W69-Y336 HydrophobicContact CD2-CD1 3.71Å; W69-Y336 HydrophobicContact CD2-CG 4.08Å; W69-Y336 AromaticContact CE2-CD1 3.49Å; W69-Y336 VanDerWaalsContact CE2-CD1 3.49Å; W69-Y336 AromaticContact CE2-CE1 3.85Å; W69-Y336 AromaticContact CE3-CD1 3.88Å; W69-Y336 HydrophobicContact CE3-CD1 3.88Å; W69-Y336 HydrophobicContact CE3-CG 4.41Å; W69-Y336 HydrophobicContact CG-CD1 4.45Å; W69-Y336 HydrophobicContact CG-CG 4.39Å; W69-Y336 AromaticContact CH2-CD1 3.66Å; W69-Y336 HydrophobicContact CH2-CD1 3.66Å; W69-Y336 AromaticContact CH2-CE1 3.95Å; W69-Y336 HydrophobicContact CH2-CE1 3.95Å; W69-Y336 AromaticContact CZ2-CD1 3.47Å; W69-Y336 HydrophobicContact CZ2-CD1 3.47Å; W69-Y336 VanDerWaalsContact CZ2-CD1 3.47Å; W69-Y336 AromaticContact CZ2-CE1 3.53Å; W69-Y336 HydrophobicContact CZ2-CE1 3.53Å; W69-Y336 AromaticContact CZ3-CD1 3.87Å; W69-Y336 HydrophobicContact CZ3-CD1 3.87Å; K255-Y336 WeakPolarHBondContact CA-OH 3.35Å; K255-Y336 WeakPolarHBondContact CB-OH 3.3Å; K255-Y336 WeakPolarHBondContact CG-OH 3.21Å; V256-Y336 HydrophobicContact CB-CE1 4.46Å; V256-Y336 HydrophobicContact CG2-CE1 4.03Å; V256-Y336 PolarHBondContact N-OH 3.19Å; P334-Y336 HydrophobicContact CB-CD1 4.34Å; P334-Y336 HydrophobicContact CB-CD2 4.05Å; P334-Y336 HydrophobicContact CB-CE1 3.87Å; P334-Y336 HydrophobicContact CB-CE2 3.56Å; P334-Y336 HydrophobicContact CB-CG 4.41Å; P334-Y336 VanDerWaalsContact CB-CZ 3.45Å; P334-Y336 HydrophobicContact CG-CD2 4.09Å; P334-Y336 HydrophobicContact CG-CE1 4.35Å; P334-Y336 HydrophobicContact CG-CE2 3.29Å; P334-Y336 VanDerWaalsContact CG-CZ 3.44Å; P334-Y336 WeakPolarHBondContact CG-OH 3.36Å; Y336-I339 HydrophobicContact CD1-CD1 3.89Å; Y336-I339 HydrophobicContact CE1-CD1 4.18Å
337	R	88.6	Confident	92.3	Very high	96 Å²	96	35.1 Å²	35.1	36%	0.362	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-32.3	175.9	-38.2	-166	-87.2	164	1.6	112.5	H65 D335 R350	H65-R337 WeakPolarHBondContact CE1-CB 3.5Å; H65-R337 VanDerWaalsContact CE1-CD 3.47Å; H65-R337 WeakPolarHBondContact CE1-CD 3.34Å; H65-R337 WeakPolarHBondContact CE1-CG 3.28Å; H65-R337 VanDerWaalsContact NE2-CB 3.26Å; H65-R337 WeakPolarHBondContact NE2-CB 2.99Å; H65-R337 WeakPolarHBondContact NE2-CD 3.43Å; H65-R337 WeakPolarHBondContact NE2-CG 3.17Å; D335-R337 PolarHBondContact O-N 3.24Å; D335-R337 VanDerWaalsContact OD1-CG 3.28Å; D335-R337 WeakPolarHBondContact OD1-CG 3.49Å; D335-R337 IonicContact OD1-CZ 3.45Å; D335-R337 IonicContact OD1-NE 3.1Å; D335-R337 PolarHBondContact OD1-NE 3.19Å; D335-R337 IonicContact OD1-NH2 2.8Å; D335-R337 PolarHBondContact OD1-NH2 3.41Å; D335-R337 IonicContact OD2-NE 3.59Å; D335-R337 IonicContact OD2-NH2 2.76Å; R337-R350 PolarHBondContact O-NH1 2.78Å
338	T	92.8	Very high	92.2	Very high	20 Å²	20	35.1 Å²	35.1	12%	0.123	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-14.5	179.6	60.4	0	0	0	0	111.9	D335 I349 R350 R352	D335-T338 PolarHBondContact O-N 2.9Å; D335-T338 PolarHBondContact O-OG1 2.86Å; D335-T338 VanDerWaalsContact O-OG1 3.09Å; D335-T338 WeakPolarHBondContact OD2-CG2 3.47Å; T338-I349 CarbonylContact O-C 3.58Å; T338-I349 WeakPolarHBondContact O-CA 3.46Å; T338-R350 WeakPolarHBondContact CB-O 3.34Å; T338-R350 PolarHBondContact O-N 2.96Å; T338-R352 HydrophobicContact CG2-CG 3.65Å
339	I	94	Very high	92.2	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	137.4	-177.4	-65.2	167.2	0	0	0	110.6	W69 V256 P334 D335 Y336 L347 R350 F446	W69-I339 HydrophobicContact CH2-CG2 3.96Å; W69-I339 HydrophobicContact CZ3-CB 4.14Å; W69-I339 HydrophobicContact CZ3-CG2 3.77Å; V256-I339 HydrophobicContact CG2-CD1 4.47Å; V256-I339 HydrophobicContact CG2-CG2 4.06Å; P334-I339 HydrophobicContact CB-CD1 4.11Å; D335-I339 WeakPolarHBondContact O-CG1 3.43Å; D335-I339 PolarHBondContact O-N 3.01Å; Y336-I339 HydrophobicContact CD1-CD1 3.89Å; Y336-I339 HydrophobicContact CE1-CD1 4.18Å; I339-L347 HydrophobicContact CG2-CD1 3.54Å; I339-R350 PolarHBondContact O-NH1 3.24Å; I339-F446 HydrophobicContact CD1-CE2 3.55Å; I339-F446 HydrophobicContact CD1-CZ 3.69Å; I339-F446 HydrophobicContact CG1-CE2 4.4Å
340	T	94.2	Very high	92.2	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.043	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	161	171.7	63.2	0	0	0	0	110.9	E72 G348 R350	E72-T340 VanDerWaalsContact OE1-CA 3.25Å; E72-T340 WeakPolarHBondContact OE1-CA 3.34Å; T340-G348 PolarHBondContact N-O 2.92Å; T340-G348 PolarHBondContact O-N 2.77Å; T340-G348 VanDerWaalsContact OG1-C 3.25Å; T340-G348 WeakPolarHBondContact OG1-CA 3.2Å; T340-G348 PolarHBondContact OG1-O 3.08Å; T340-R350 HydrophobicContact CG2-CB 4.03Å
341	F	94.4	Very high	92.2	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.6	167.1	-71.9	-74.6	0	0	0	109.9	W69 E72 R75 W76 L250 V256 R345 L347	W69-F341 HydrophobicContact CH2-CE2 4.04Å; E72-F341 PolarHBondContact OE1-N 3.13Å; R75-F341 PolarHBondContact NH2-O 2.93Å; W76-F341 AromaticContact CD1-CD2 3.91Å; W76-F341 AromaticContact CD1-CG 3.66Å; W76-F341 HydrophobicContact CG-CD2 4.49Å; L250-F341 HydrophobicContact CD2-CE2 3.66Å; L250-F341 HydrophobicContact CD2-CZ 4.24Å; L250-F341 HydrophobicContact CG-CE2 3.82Å; L250-F341 HydrophobicContact CG-CZ 4.31Å; V256-F341 HydrophobicContact CG2-CE2 4.03Å; V256-F341 HydrophobicContact CG2-CZ 3.9Å; F341-R345 VanDerWaalsContact CD1-O 3.26Å; F341-R345 WeakPolarHBondContact CD1-O 3.47Å; F341-L347 HydrophobicContact CE1-CD1 4.05Å; F341-L347 HydrophobicContact CZ-CD1 4.1Å
342	Q	90.9	Very high	92.1	Very high	53 Å²	53	37.8 Å²	37.8	25%	0.248	19%	0.188	C	C	.	.			trans	-88.1	178	-179.7	-64	-59.7	-49	0	0	112.1	D344 R345 Q346 C406	Q342-D344 PolarHBondContact O-N 3.3Å; Q342-R345 WeakPolarHBondContact O-CA 3.3Å; Q342-R345 PolarHBondContact O-N 2.95Å; Q342-R345 PolarHBondContact O-NH2 2.84Å; Q342-R345 VanDerWaalsContact O-NH2 3.09Å; Q342-Q346 PolarHBondContact N-O 3.26Å; Q342-C406 PolarHBondContact NE2-SG 2.73Å
343	D	86.8	Confident	92.1	Very high	101 Å²	101	34.2 Å²	34.2	54%	0.54	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-10.8	-177.8	-110.4	58.1	0	0	0	116	K83 R345	K83-D343 PolarHBondContact NZ-O 2.63Å; K83-D343 IonicContact NZ-OD2 2.61Å; K83-D343 PolarHBondContact NZ-OD2 3.42Å; D343-R345 PolarHBondContact O-NE 3.35Å; D343-R345 PolarHBondContact O-NH1 2.72Å; D343-R345 PolarHBondContact O-NH2 2.87Å
344	D	87.2	Confident	91.9	Very high	56 Å²	56	34.8 Å²	34.8	30%	0.299	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	2.6	177.3	61.5	4.9	0	0	0	113.6	R90 Q342 Q346 R408	R90-D344 PolarHBondContact NE-O 2.84Å; R90-D344 PolarHBondContact NH2-O 2.84Å; Q342-D344 PolarHBondContact O-N 3.3Å; D344-Q346 VanDerWaalsContact C-N 3.28Å; D344-Q346 PolarHBondContact O-N 2.98Å; D344-Q346 PolarHBondContact OD1-N 3Å; D344-Q346 PolarHBondContact OD2-OE1 2.94Å; D344-R408 IonicContact OD1-CZ 3.75Å; D344-R408 IonicContact OD1-NH2 3.36Å; D344-R408 PolarHBondContact OD1-NH2 2.95Å; D344-R408 IonicContact OD2-CZ 2.71Å; D344-R408 IonicContact OD2-NH2 3.78Å; D344-R408 PolarHBondContact OD2-NH2 2.96Å
345	R	91.9	Very high	91.6	Very high	12 Å²	12	37.1 Å²	37.1	5%	0.045	19%	0.185	C	C	.	.	S	Bend	trans	77.8	5.6	175.6	-61.7	63.9	-82.2	-119.7	-17.3	113.2	E79 D87 F341 Q342 D343	E79-R345 PolarHBondContact O-NH1 3.06Å; E79-R345 IonicContact OE2-CZ 3.77Å; E79-R345 IonicContact OE2-NH2 3.82Å; E79-R345 PolarHBondContact OE2-NH2 3.12Å; D87-R345 WeakPolarHBondContact OD1-CD 3.46Å; D87-R345 WeakPolarHBondContact OD2-CD 3.27Å; F341-R345 VanDerWaalsContact CD1-O 3.26Å; F341-R345 WeakPolarHBondContact CD1-O 3.47Å; Q342-R345 WeakPolarHBondContact O-CA 3.3Å; Q342-R345 PolarHBondContact O-N 2.95Å; Q342-R345 PolarHBondContact O-NH2 2.84Å; Q342-R345 VanDerWaalsContact O-NH2 3.09Å; D343-R345 PolarHBondContact O-NE 3.35Å; D343-R345 PolarHBondContact O-NH1 2.72Å; D343-R345 PolarHBondContact O-NH2 2.87Å
346	Q	93.2	Very high	91.1	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.084	20%	0.199	C	C	.	.			trans	-80.4	147.6	174.6	-40.3	173	-30.3	0	0	110.5	K245 D246 Q342 D344 R408	K245-Q346 WeakPolarHBondContact O-CB 3.47Å; K245-Q346 WeakPolarHBondContact O-CG 3.45Å; D246-Q346 PolarHBondContact OD1-NE2 2.91Å; Q342-Q346 PolarHBondContact N-O 3.26Å; D344-Q346 VanDerWaalsContact C-N 3.28Å; D344-Q346 PolarHBondContact O-N 2.98Å; D344-Q346 PolarHBondContact OD1-N 3Å; D344-Q346 PolarHBondContact OD2-OE1 2.94Å; Q346-R408 PolarHBondContact O-NH1 2.96Å; Q346-R408 VanDerWaalsContact O-NH1 3.12Å; Q346-R408 VanDerWaalsContact OE1-CZ 3.32Å
347	L	95.4	Very high	90.1	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	135.2	176.9	-166.9	76.7	0	0	0	110.9	Y248 V256 I339 F341 R408 P445 F446	Y248-L347 HydrophobicContact CD2-CD2 4.17Å; Y248-L347 HydrophobicContact CG-CD2 4.13Å; V256-L347 HydrophobicContact CG1-CD1 4.48Å; I339-L347 HydrophobicContact CG2-CD1 3.54Å; F341-L347 HydrophobicContact CE1-CD1 4.05Å; F341-L347 HydrophobicContact CZ-CD1 4.1Å; L347-R408 PolarHBondContact O-NH1 2.77Å; L347-R408 VanDerWaalsContact O-NH1 3.11Å; L347-P445 HydrophobicContact CD2-CB 4.07Å; L347-F446 HydrophobicContact CD2-CB 4Å; L347-F446 HydrophobicContact CD2-CD2 3.7Å; L347-F446 HydrophobicContact CD2-CG 4.29Å
348	G	96.1	Very high	88.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.9	171.1	0	0	0	0	0	110.6	T340 C406 V407	T340-G348 PolarHBondContact N-O 2.92Å; T340-G348 PolarHBondContact O-N 2.77Å; T340-G348 VanDerWaalsContact OG1-C 3.25Å; T340-G348 WeakPolarHBondContact OG1-CA 3.2Å; T340-G348 PolarHBondContact OG1-O 3.08Å; G348-C406 VanDerWaalsContact CA-SG 3.57Å; G348-V407 CarbonylContact C-O 3.49Å; G348-V407 WeakPolarHBondContact CA-O 3.24Å
349	I	96.4	Very high	87	Confident	7 Å²	7	44 Å²	44	4%	0.036	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114	177.2	-54.3	-54.6	0	0	0	108.8	T338 P351 V407 V448 A450	T338-I349 CarbonylContact O-C 3.58Å; T338-I349 WeakPolarHBondContact O-CA 3.46Å; I349-P351 WeakPolarHBondContact O-CD 3.18Å; I349-V407 HydrophobicContact CB-CB 4.41Å; I349-V407 PolarHBondContact N-O 2.85Å; I349-V407 PolarHBondContact O-N 2.91Å; I349-V448 HydrophobicContact CB-CG1 4.43Å; I349-V448 HydrophobicContact CG1-CB 3.94Å; I349-V448 HydrophobicContact CG1-CG1 4.1Å; I349-A450 HydrophobicContact CG2-CB 4.17Å
350	R	95.8	Very high	85	Confident	63 Å²	63	45.8 Å²	45.8	24%	0.238	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-71.9	122.4	165.9	-176.6	-168.8	-63.8	97.3	-0.3	108.8	R337 T338 I339 T340	R337-R350 PolarHBondContact O-NH1 2.78Å; T338-R350 WeakPolarHBondContact CB-O 3.34Å; T338-R350 PolarHBondContact O-N 2.96Å; I339-R350 PolarHBondContact O-NH1 3.24Å; T340-R350 HydrophobicContact CG2-CB 4.03Å
351	P	95.8	Very high	82.6	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.019	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-59.7	145.5	174	-22.7	34.1	0	0	0	111.8	I349 A402 L405 V407 A450 L457	I349-P351 WeakPolarHBondContact O-CD 3.18Å; P351-A402 HydrophobicContact CB-CB 4.46Å; P351-A402 WeakPolarHBondContact O-CB 3.5Å; P351-L405 VanDerWaalsContact CD-O 3.31Å; P351-L405 WeakPolarHBondContact CD-O 3.29Å; P351-L405 HydrophobicContact CG-CB 3.85Å; P351-L405 HydrophobicContact CG-CD1 4.38Å; P351-V407 HydrophobicContact CG-CG2 4.28Å; P351-A450 WeakPolarHBondContact CA-O 3.18Å; P351-A450 HydrophobicContact CB-CB 4.02Å; P351-A450 HydrophobicContact CG-CB 4.03Å; P351-L457 HydrophobicContact CB-CD1 3.68Å; P351-L457 HydrophobicContact CG-CD1 3.43Å; P351-L457 VanDerWaalsContact CG-CD1 3.43Å
352	R	93.3	Very high	80.1	Confident	48 Å²	48	58.1 Å²	58.1	18%	0.181	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	141.8	168.9	-64.2	-172.6	-174.6	164	4.1	110.5	D335 T338 A450 Q451 L452	D335-R352 IonicContact OD2-CZ 2.67Å; D335-R352 IonicContact OD2-NE 3.57Å; D335-R352 PolarHBondContact OD2-NE 2.92Å; D335-R352 IonicContact OD2-NH2 3.37Å; D335-R352 PolarHBondContact OD2-NH2 2.98Å; T338-R352 HydrophobicContact CG2-CG 3.65Å; R352-A450 PolarHBondContact N-O 3.26Å; R352-Q451 HydrophobicContact CB-CG 4.47Å; R352-L452 PolarHBondContact O-N 3.21Å
353	A	91.1	Very high	78.1	Confident	23 Å²	23	59 Å²	59	19%	0.19	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	150.3	174	0	0	0	0	0	111.2	S355 E356 A402	A353-S355 PolarHBondContact O-N 2.82Å; A353-S355 VanDerWaalsContact O-N 3.1Å; A353-E356 HydrophobicContact CB-CG 4.24Å; A353-E356 PolarHBondContact N-OE2 3.27Å; A353-E356 WeakPolarHBondContact O-CB 3.09Å; A353-E356 PolarHBondContact O-N 2.76Å; A353-A402 HydrophobicContact CB-CB 3.91Å
354	E	83.3	Confident	76.2	Confident	81 Å²	81	62.8 Å²	62.8	38%	0.379	35%	0.346	S	S	.	.	H	α-helix	trans	-55.1	-33.9	178.9	-161.3	-170.3	148.1	0	0	113.2	E356 I357 K358	E354-E356 VanDerWaalsContact C-N 3.29Å; E354-E356 PolarHBondContact O-N 3.4Å; E354-I357 PolarHBondContact O-N 3.24Å; E354-K358 IonicContact OE1-NZ 3.72Å; E354-K358 PolarHBondContact OE1-NZ 3.16Å
355	S	80.8	Confident	74.6	Confident	90 Å²	90	66.8 Å²	66.8	63%	0.629	36%	0.36	S	S	*	.	H	α-helix	trans	-64.8	-29.2	176.8	50.4	0	0	0	0	113.8	A353	A353-S355 PolarHBondContact O-N 2.82Å; A353-S355 VanDerWaalsContact O-N 3.1Å
356	E	78	Confident	72.6	Confident	105 Å²	105	72.3 Å²	72.3	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-79.8	-31.1	-177.5	-64.2	172.3	169.9	0	0	111.9	A353 E354 K358 A359	A353-E356 HydrophobicContact CB-CG 4.24Å; A353-E356 PolarHBondContact N-OE2 3.27Å; A353-E356 WeakPolarHBondContact O-CB 3.09Å; A353-E356 PolarHBondContact O-N 2.76Å; E354-E356 VanDerWaalsContact C-N 3.29Å; E354-E356 PolarHBondContact O-N 3.4Å; E356-K358 VanDerWaalsContact C-N 3.31Å; E356-K358 PolarHBondContact O-N 3.33Å; E356-A359 PolarHBondContact O-N 2.85Å
357	I	72	Confident	70.9	Confident	18 Å²	18	74 Å²	74	9%	0.092	41%	0.408	C	S	.	.	H	α-helix	trans	-64.6	-39	-178.4	-58.1	166.6	0	0	0	110.7	E354 A359 C369 Q451	E354-I357 PolarHBondContact O-N 3.24Å; I357-A359 VanDerWaalsContact C-N 3.29Å; I357-A359 PolarHBondContact O-N 2.72Å; I357-C369 HydrophobicContact CG2-CB 4.43Å; I357-Q451 HydrophobicContact CD1-CB 4.31Å; I357-Q451 HydrophobicContact CD1-CG 4.13Å
358	K	60.4	Low	69.6	Low	154 Å²	154	77.4 Å²	77.4	67%	0.67	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.4	-177.5	-63.8	175.2	-171.8	164.8	0	112.9	E354 E356	E354-K358 IonicContact OE1-NZ 3.72Å; E354-K358 PolarHBondContact OE1-NZ 3.16Å; E356-K358 VanDerWaalsContact C-N 3.31Å; E356-K358 PolarHBondContact O-N 3.33Å
359	A	55.4	Low	68.8	Low	72 Å²	72	81.5 Å²	81.5	60%	0.595	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-1.5	-169	0	0	0	0	0	115.4	E356 I357 P361	E356-A359 PolarHBondContact O-N 2.85Å; I357-A359 VanDerWaalsContact C-N 3.29Å; I357-A359 PolarHBondContact O-N 2.72Å; A359-P361 VanDerWaalsContact C-CD 3.46Å; A359-P361 WeakPolarHBondContact O-CD 3.43Å
360	T	51.8	Low	68.5	Low	43 Å²	43	81.5 Å²	81.5	26%	0.264	46%	0.457	S	S	.	.			trans	-111.8	83.8	179.1	39.2	0	0	0	0	114.2
361	P	44.4	Very low	68.2	Low	109 Å²	109	82.4 Å²	82.4	71%	0.708	47%	0.47	S	S	*	.	S	Bend	trans	-85.4	-17	165.2	-7.7	24.6	0	0	0	114.4	A359	A359-P361 VanDerWaalsContact C-CD 3.46Å; A359-P361 WeakPolarHBondContact O-CD 3.43Å
362	N	41.4	Very low	68	Low	160 Å²	160	85.6 Å²	85.6	86%	0.856	49%	0.489	S	S	*	.	S	Bend	trans	-111.2	16.5	-162.8	-80.2	5.8	0	0	0	116
363	S	49.8	Very low	67.8	Low	70 Å²	70	86.5 Å²	86.5	49%	0.49	50%	0.5	S	S	.	.	S	Bend	trans	-99.7	131.2	164.9	163.7	0	0	0	0	107.6	K365	S363-K365 CarbonylContact O-C 3.55Å; S363-K365 PolarHBondContact O-N 3.3Å; S363-K365 PolarHBondContact OG-N 2.94Å
364	N	46.6	Very low	67.7	Low	182 Å²	182	88.1 Å²	88.1	97%	0.973	52%	0.518	S	S	*	.	S	Bend	trans	-61.9	6	174.9	-68.8	-17.4	0	0	0	113.8
365	K	53.8	Low	67.7	Low	139 Å²	139	86.9 Å²	86.9	60%	0.604	52%	0.518	S	S	*	.	S	Bend	trans	-103.8	115.9	165.6	-109.5	175.7	175.1	-179.9	0	108.5	S363	S363-K365 CarbonylContact O-C 3.55Å; S363-K365 PolarHBondContact O-N 3.3Å; S363-K365 PolarHBondContact OG-N 2.94Å
366	T	49.1	Very low	67.7	Low	129 Å²	129	86.2 Å²	86.2	79%	0.791	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-51.1	129.9	170.3	39.6	0	0	0	0	109.5	V368	T366-V368 PolarHBondContact O-N 2.63Å; T366-V368 VanDerWaalsContact O-N 3.09Å
367	P	57.2	Low	67.9	Low	52 Å²	52	84.8 Å²	84.8	34%	0.338	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-60.6	120.3	176.1	23.1	-30.3	0	0	0	108.3	C369	P367-C369 PolarHBondContact O-N 2.95Å; P367-C369 VanDerWaalsContact O-N 3.13Å
368	V	68.4	Low	68.7	Low	78 Å²	78	84.9 Å²	84.9	47%	0.473	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-57.2	119.3	167.5	-179.6	0	0	0	0	106	T366 L370 Q451	T366-V368 PolarHBondContact O-N 2.63Å; T366-V368 VanDerWaalsContact O-N 3.09Å; V368-L370 HydrophobicContact CG1-CD2 3.91Å; V368-Q451 PolarHBondContact O-NE2 3.01Å
369	C	79.3	Confident	70.1	Confident	86 Å²	86	79.6 Å²	79.6	58%	0.581	49%	0.489	S	S	*	.			trans	-116.3	110.6	177.8	-173.3	0	0	0	0	106.5	I357 P367	I357-C369 HydrophobicContact CG2-CB 4.43Å; P367-C369 PolarHBondContact O-N 2.95Å; P367-C369 VanDerWaalsContact O-N 3.13Å
370	L	90	Very high	71.7	Confident	6 Å²	6	79.4 Å²	79.4	3%	0.031	48%	0.477	C	S	.	.			trans	-78.5	149.5	179.1	-58.6	-175.5	0	0	0	109.3	V368 Q451 I453 V458 E460	V368-L370 HydrophobicContact CG1-CD2 3.91Å; L370-Q451 HydrophobicContact CB-CB 4.37Å; L370-Q451 HydrophobicContact CB-CG 4.33Å; L370-Q451 HydrophobicContact CD1-CB 4.08Å; L370-Q451 HydrophobicContact CD1-CG 3.85Å; L370-Q451 HydrophobicContact CG-CB 4.39Å; L370-Q451 HydrophobicContact CG-CG 3.94Å; L370-I453 VanDerWaalsContact O-CD1 3.25Å; L370-I453 WeakPolarHBondContact O-CD1 3.48Å; L370-V458 HydrophobicContact CB-CB 4.15Å; L370-V458 HydrophobicContact CB-CG1 3.9Å; L370-V458 HydrophobicContact CD1-CB 4.17Å; L370-V458 HydrophobicContact CD1-CG1 4.07Å; L370-V458 WeakPolarHBondContact CD1-O 3.45Å; L370-E460 HydrophobicContact CD1-CG 4.43Å; L370-E460 HydrophobicContact CD2-CB 4.06Å; L370-E460 HydrophobicContact CD2-CG 3.89Å; L370-E460 WeakPolarHBondContact CD2-OE2 3.38Å
371	T	89.4	Confident	73.5	Confident	83 Å²	83	80.1 Å²	80.1	51%	0.509	48%	0.478	S	S	.	.			trans	-115.9	134.7	-178.5	55.2	0	0	0	0	110.3	T373 H391	T371-T373 PolarHBondContact O-N 3.07Å; T371-H391 PolarHBondContact O-CE1 3.49Å
372	V	91.8	Very high	75.4	Confident	69 Å²	69	83.8 Å²	83.8	42%	0.418	48%	0.483	S	S	.	.			trans	-75.1	119.7	169.2	-176.9	0	0	0	0	108.5	E393 I453 T456 V458	V372-E393 WeakPolarHBondContact CG1-OE2 3.46Å; V372-I453 HydrophobicContact CG2-CB 4.21Å; V372-I453 HydrophobicContact CG2-CD1 4.13Å; V372-I453 HydrophobicContact CG2-CG2 4.26Å; V372-T456 HydrophobicContact CG1-CG2 4.34Å; V372-T456 HydrophobicContact CG2-CG2 4.29Å; V372-V458 HydrophobicContact CG2-CG2 3.81Å
373	T	90.7	Very high	77.3	Confident	68 Å²	68	79.6 Å²	79.6	42%	0.417	46%	0.461	S	S	.	.			trans	-98	-19.9	178	69.6	0	0	0	0	112.9	T371 C375 H391 E393	T371-T373 PolarHBondContact O-N 3.07Å; T373-C375 PolarHBondContact OG1-N 3.46Å; T373-H391 PolarHBondContact OG1-NE2 3.07Å; T373-E393 VanDerWaalsContact CA-OE1 3.25Å; T373-E393 WeakPolarHBondContact CA-OE1 3.08Å; T373-E393 WeakPolarHBondContact CB-OE1 3.46Å; T373-E393 PolarHBondContact N-OE1 2.8Å; T373-E393 PolarHBondContact OG1-OE1 2.85Å
374	G	88.6	Confident	78.7	Confident	56 Å²	56	79.3 Å²	79.3	58%	0.577	47%	0.469	S	S	*	.	S	Bend	trans	89.1	10.6	-176.4	0	0	0	0	0	113.8	E393	G374-E393 WeakPolarHBondContact CA-OE2 2.91Å; G374-E393 PolarHBondContact N-OE1 2.8Å; G374-E393 PolarHBondContact N-OE2 3.39Å; G374-E393 VanDerWaalsContact N-OE2 3.1Å
375	C	83.1	Confident	79.8	Confident	56 Å²	56	78.8 Å²	78.8	38%	0.378	47%	0.465	S	S	.	.			trans	-95.2	102.1	178.9	-68.1	0	0	0	0	110.8	T373 E377 T379 E393	T373-C375 PolarHBondContact OG1-N 3.46Å; C375-E377 VanDerWaalsContact C-N 3.27Å; C375-E377 PolarHBondContact O-N 3.41Å; C375-T379 HydrophobicContact CB-CG2 4.28Å; C375-E393 PolarHBondContact N-OE1 3.44Å; C375-E393 WeakPolarHBondContact O-CB 3.41Å
376	S	79.7	Confident	80.5	Confident	75 Å²	75	78.4 Å²	78.4	52%	0.524	47%	0.469	S	S	.	.			trans	-74.4	-12	-178.7	-48.3	0	0	0	0	115
377	E	83.9	Confident	82	Confident	76 Å²	76	73.2 Å²	73.2	36%	0.355	44%	0.442	S	S	.	.	S	Bend	trans	-98.6	151.5	179.4	-67.6	-59.9	143	0	0	111	C375 T379	C375-E377 VanDerWaalsContact C-N 3.27Å; C375-E377 PolarHBondContact O-N 3.41Å; E377-T379 PolarHBondContact O-N 2.69Å; E377-T379 VanDerWaalsContact O-N 3.17Å
378	P	88.1	Confident	83.4	Confident	20 Å²	20	74.6 Å²	74.6	13%	0.13	44%	0.44	C	S	.	.			trans	-54.9	121.6	169.3	-19.7	28.7	0	0	0	110.9	L390 L392 F437 V439	P378-L390 HydrophobicContact CB-CD1 4.06Å; P378-L392 HydrophobicContact CG-CD1 3.98Å; P378-F437 HydrophobicContact CG-CB 3.9Å; P378-F437 HydrophobicContact CG-CD1 4.42Å; P378-V439 HydrophobicContact CB-CG1 4.21Å
379	T	90	Very high	84.5	Confident	43 Å²	43	72.4 Å²	72.4	26%	0.264	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.6	-179.5	52.1	0	0	0	0	111	C375 E377 L390 H391	C375-T379 HydrophobicContact CB-CG2 4.28Å; E377-T379 PolarHBondContact O-N 2.69Å; E377-T379 VanDerWaalsContact O-N 3.17Å; T379-L390 CarbonylContact O-C 3.49Å; T379-L390 WeakPolarHBondContact O-CA 3.22Å; T379-H391 PolarHBondContact N-O 3.32Å; T379-H391 PolarHBondContact O-N 2.96Å; T379-H391 PolarHBondContact OG1-O 2.98Å
380	I	89.1	Confident	85.1	Confident	67 Å²	67	68.3 Å²	68.3	34%	0.344	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.4	172.3	-57	-47.6	0	0	0	108.9	R388 K389 L390 P440 L463	I380-R388 HydrophobicContact CG2-CB 3.94Å; I380-R388 HydrophobicContact CG2-CG 4.42Å; I380-K389 CarbonylContact C-O 3.51Å; I380-K389 WeakPolarHBondContact CA-O 3.39Å; I380-L390 HydrophobicContact CD1-CB 4.26Å; I380-L390 HydrophobicContact CD1-CD1 3.9Å; I380-P440 HydrophobicContact CD1-CG 3.78Å; I380-P440 HydrophobicContact CG1-CG 3.84Å; I380-L463 HydrophobicContact CD1-CD1 3.83Å; I380-L463 HydrophobicContact CD1-CD2 4.12Å; I380-L463 HydrophobicContact CD1-CG 4.39Å; I380-L463 HydrophobicContact CG1-CD1 4.24Å; I380-L463 HydrophobicContact CG2-CD1 3.77Å
381	M	88.3	Confident	85.3	Confident	58 Å²	58	68 Å²	68	29%	0.286	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	156.7	178.5	-67.2	178.4	51.6	0	0	111.3	R388 K389 H391	M381-R388 CarbonylContact O-C 3.47Å; M381-R388 VanDerWaalsContact O-CA 3.31Å; M381-R388 WeakPolarHBondContact O-CA 3.22Å; M381-K389 HydrophobicContact CB-CG 3.95Å; M381-K389 PolarHBondContact N-O 3.41Å; M381-K389 PolarHBondContact O-N 3.44Å; M381-H391 HydrophobicContact CG-CB 4.04Å; M381-H391 HydrophobicContact SD-CB 3.47Å; M381-H391 WeakPolarHBondContact SD-CB 3.31Å; M381-H391 VanDerWaalsContact SD-CG 3.55Å
382	K	86.2	Confident	85.5	Confident	186 Å²	186	64.1 Å²	64.1	81%	0.809	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.2	168.5	-67.3	-173.9	177.9	-176.1	0	110
383	D	80.8	Confident	85.7	Confident	72 Å²	72	61.3 Å²	61.3	39%	0.385	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	83.2	178.6	-169.6	27.3	0	0	0	109.8	G387 K389	D383-G387 PolarHBondContact N-O 3.17Å; D383-G387 CarbonylContact O-C 3.41Å; D383-G387 WeakPolarHBondContact O-CA 3.32Å; D383-G387 PolarHBondContact O-N 2.82Å; D383-G387 VanDerWaalsContact O-N 3.15Å; D383-K389 HydrophobicContact CB-CB 3.98Å; D383-K389 HydrophobicContact CB-CD 4.13Å; D383-K389 HydrophobicContact CB-CG 4.01Å
384	G	78.4	Confident	85.9	Confident	65 Å²	65	58.4 Å²	58.4	67%	0.67	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-156.1	-173.6	0	0	0	0	0	114.1
385	I	70.6	Confident	86.1	Confident	170 Å²	170	60.4 Å²	60.4	87%	0.872	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-44.5	-169	-57.2	176.6	0	0	0	111.4
386	N	67.8	Low	86.7	Confident	132 Å²	132	57.9 Å²	57.9	71%	0.706	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	2.3	-176.9	-67.6	-4.5	0	0	0	113.5	T466	N386-T466 VanDerWaalsContact O-CG2 3.24Å; N386-T466 WeakPolarHBondContact O-CG2 3.21Å
387	G	80	Confident	87.3	Confident	20 Å²	20	58.4 Å²	58.4	21%	0.206	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	152.9	-179	0	0	0	0	0	111.8	D383	D383-G387 PolarHBondContact N-O 3.17Å; D383-G387 CarbonylContact O-C 3.41Å; D383-G387 WeakPolarHBondContact O-CA 3.32Å; D383-G387 PolarHBondContact O-N 2.82Å; D383-G387 VanDerWaalsContact O-N 3.15Å
388	R	87.4	Confident	87.8	Confident	80 Å²	80	59.9 Å²	59.9	30%	0.302	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.9	168.4	-61.4	-174.8	-58.9	162.2	9	107.3	I380 M381 E441 L463 C465	I380-R388 HydrophobicContact CG2-CB 3.94Å; I380-R388 HydrophobicContact CG2-CG 4.42Å; M381-R388 CarbonylContact O-C 3.47Å; M381-R388 VanDerWaalsContact O-CA 3.31Å; M381-R388 WeakPolarHBondContact O-CA 3.22Å; R388-E441 IonicContact NH2-OE2 2.72Å; R388-E441 PolarHBondContact NH2-OE2 3.35Å; R388-L463 HydrophobicContact CB-CB 4.36Å; R388-L463 HydrophobicContact CB-CD1 3.83Å; R388-L463 HydrophobicContact CB-CG 4.22Å; R388-L463 PolarHBondContact O-N 3.33Å; R388-C465 PolarHBondContact NH2-O 3.46Å
389	K	90.3	Very high	88.1	Confident	32 Å²	32	62 Å²	62	14%	0.139	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.3	173.8	68	-178.7	-175.6	172.8	0	110.5	I380 M381 D383 E460 A461	I380-K389 CarbonylContact C-O 3.51Å; I380-K389 WeakPolarHBondContact CA-O 3.39Å; M381-K389 HydrophobicContact CB-CG 3.95Å; M381-K389 PolarHBondContact N-O 3.41Å; M381-K389 PolarHBondContact O-N 3.44Å; D383-K389 HydrophobicContact CB-CB 3.98Å; D383-K389 HydrophobicContact CB-CD 4.13Å; D383-K389 HydrophobicContact CB-CG 4.01Å; K389-E460 WeakPolarHBondContact CE-OE1 3.37Å; K389-E460 WeakPolarHBondContact CE-OE2 3.39Å; K389-E460 IonicContact NZ-OE1 2.72Å; K389-E460 PolarHBondContact NZ-OE1 3.48Å; K389-E460 IonicContact NZ-OE2 3.27Å; K389-E460 PolarHBondContact NZ-OE2 3.03Å; K389-A461 CarbonylContact C-O 3.45Å; K389-A461 VanDerWaalsContact CA-O 3.29Å; K389-A461 WeakPolarHBondContact CA-O 3.1Å; K389-A461 WeakPolarHBondContact CB-O 3.39Å
390	L	92.1	Very high	88.3	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	137.8	164	177	61.7	0	0	0	108.9	P378 T379 I380 I414 V439 V443 E460 A461 L463	P378-L390 HydrophobicContact CB-CD1 4.06Å; T379-L390 CarbonylContact O-C 3.49Å; T379-L390 WeakPolarHBondContact O-CA 3.22Å; I380-L390 HydrophobicContact CD1-CB 4.26Å; I380-L390 HydrophobicContact CD1-CD1 3.9Å; L390-I414 HydrophobicContact CD2-CD1 3.42Å; L390-I414 VanDerWaalsContact CD2-CD1 3.42Å; L390-I414 HydrophobicContact CD2-CG1 4.3Å; L390-I414 HydrophobicContact CG-CD1 4.3Å; L390-V439 HydrophobicContact CD1-CB 4.44Å; L390-V439 HydrophobicContact CD1-CG1 4.01Å; L390-V439 HydrophobicContact CD2-CB 4.2Å; L390-V439 HydrophobicContact CD2-CG1 3.75Å; L390-V443 HydrophobicContact CB-CG1 4.28Å; L390-V443 HydrophobicContact CD2-CG1 4.03Å; L390-V443 HydrophobicContact CD2-CG2 4.47Å; L390-E460 WeakPolarHBondContact O-CA 3.34Å; L390-A461 PolarHBondContact N-O 3.01Å; L390-A461 PolarHBondContact O-N 2.63Å; L390-A461 VanDerWaalsContact O-N 3.12Å; L390-L463 HydrophobicContact CB-CD2 4.03Å
391	H	93.9	Very high	88.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.9	173	-178.3	92.4	0	0	0	109	T371 T373 T379 M381 E393 V458 V459 E460	T371-H391 PolarHBondContact O-CE1 3.49Å; T373-H391 PolarHBondContact OG1-NE2 3.07Å; T379-H391 PolarHBondContact N-O 3.32Å; T379-H391 PolarHBondContact O-N 2.96Å; T379-H391 PolarHBondContact OG1-O 2.98Å; M381-H391 HydrophobicContact CG-CB 4.04Å; M381-H391 HydrophobicContact SD-CB 3.47Å; M381-H391 WeakPolarHBondContact SD-CB 3.31Å; M381-H391 VanDerWaalsContact SD-CG 3.55Å; H391-E393 WeakPolarHBondContact NE2-CG 3.2Å; H391-E393 IonicContact NE2-OE1 2.83Å; H391-E393 PolarHBondContact NE2-OE1 3.24Å; H391-E393 VanDerWaalsContact NE2-OE1 3.1Å; H391-V458 VanDerWaalsContact CE1-CG1 3.47Å; H391-V458 WeakPolarHBondContact CE1-CG1 3.44Å; H391-V459 CarbonylContact C-O 3.5Å; H391-V459 WeakPolarHBondContact CA-O 3.26Å; H391-E460 HydrophobicContact CB-CG 4.38Å; H391-E460 IonicContact CE1-OE1 2.6Å; H391-E460 IonicContact CG-OE1 3.97Å; H391-E460 WeakPolarHBondContact ND1-CG 3.31Å; H391-E460 IonicContact ND1-OE1 2.82Å; H391-E460 PolarHBondContact ND1-OE1 3.09Å
392	L	94.6	Very high	88.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.9	-179.3	168.3	63.3	0	0	0	109.4	P378 V394 I414 I416 F437 V458 V459	P378-L392 HydrophobicContact CG-CD1 3.98Å; L392-V394 HydrophobicContact CD1-CG2 3.88Å; L392-V394 HydrophobicContact CD2-CG2 4.11Å; L392-V394 HydrophobicContact CG-CG2 3.83Å; L392-I414 HydrophobicContact CD2-CB 4.2Å; L392-I414 HydrophobicContact CD2-CD1 3.91Å; L392-I414 HydrophobicContact CD2-CG2 3.89Å; L392-I416 HydrophobicContact CD2-CD1 4.09Å; L392-F437 HydrophobicContact CD1-CD1 4.11Å; L392-F437 HydrophobicContact CD1-CE1 4.33Å; L392-F437 HydrophobicContact CD1-CG 4.25Å; L392-F437 HydrophobicContact CD2-CB 4.3Å; L392-F437 HydrophobicContact CD2-CD2 3.88Å; L392-F437 HydrophobicContact CD2-CE2 4.42Å; L392-F437 HydrophobicContact CD2-CG 4.05Å; L392-V458 CarbonylContact O-C 3.56Å; L392-V458 WeakPolarHBondContact O-CA 3.4Å; L392-V459 HydrophobicContact CB-CB 4.29Å; L392-V459 PolarHBondContact N-O 3.09Å; L392-V459 PolarHBondContact O-N 3.09Å
393	E	95.6	Very high	89.2	Confident	11 Å²	11	57.7 Å²	57.7	5%	0.051	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.4	171.2	-60.5	176.5	-157.4	0	0	110.7	V372 T373 G374 C375 H391 T456 L457 V458	V372-E393 WeakPolarHBondContact CG1-OE2 3.46Å; T373-E393 VanDerWaalsContact CA-OE1 3.25Å; T373-E393 WeakPolarHBondContact CA-OE1 3.08Å; T373-E393 WeakPolarHBondContact CB-OE1 3.46Å; T373-E393 PolarHBondContact N-OE1 2.8Å; T373-E393 PolarHBondContact OG1-OE1 2.85Å; G374-E393 WeakPolarHBondContact CA-OE2 2.91Å; G374-E393 PolarHBondContact N-OE1 2.8Å; G374-E393 PolarHBondContact N-OE2 3.39Å; G374-E393 VanDerWaalsContact N-OE2 3.1Å; C375-E393 PolarHBondContact N-OE1 3.44Å; C375-E393 WeakPolarHBondContact O-CB 3.41Å; H391-E393 WeakPolarHBondContact NE2-CG 3.2Å; H391-E393 IonicContact NE2-OE1 2.83Å; H391-E393 PolarHBondContact NE2-OE1 3.24Å; H391-E393 VanDerWaalsContact NE2-OE1 3.1Å; E393-T456 HydrophobicContact CB-CG2 3.94Å; E393-T456 HydrophobicContact CG-CG2 4.32Å; E393-L457 CarbonylContact C-O 3.49Å; E393-L457 WeakPolarHBondContact CA-O 3.36Å; E393-V458 HydrophobicContact CG-CG2 4.4Å
394	V	94.3	Very high	89.8	Confident	6 Å²	6	56.2 Å²	56.2	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.5	178.7	180	0	0	0	0	109.2	L392 V396 I416 F437 L457	L392-V394 HydrophobicContact CD1-CG2 3.88Å; L392-V394 HydrophobicContact CD2-CG2 4.11Å; L392-V394 HydrophobicContact CG-CG2 3.83Å; V394-V396 HydrophobicContact CG1-CG2 4.4Å; V394-V396 PolarHBondContact O-N 3.3Å; V394-I416 HydrophobicContact CB-CD1 4.01Å; V394-I416 HydrophobicContact CG1-CD1 4.33Å; V394-I416 HydrophobicContact CG2-CD1 3.42Å; V394-I416 VanDerWaalsContact CG2-CD1 3.42Å; V394-F437 HydrophobicContact CG1-CE2 4.48Å; V394-F437 HydrophobicContact CG1-CZ 4.19Å; V394-F437 HydrophobicContact CG2-CD2 4.5Å; V394-F437 HydrophobicContact CG2-CE1 4.31Å; V394-F437 HydrophobicContact CG2-CE2 3.65Å; V394-F437 HydrophobicContact CG2-CZ 3.53Å; V394-L457 HydrophobicContact CB-CB 4.44Å; V394-L457 PolarHBondContact N-O 2.85Å; V394-L457 PolarHBondContact O-N 3.05Å
395	T	94.7	Very high	90.7	Very high	99 Å²	99	53.4 Å²	53.4	61%	0.607	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	120.1	170.3	-57.9	0	0	0	0	108.6
396	V	94.3	Very high	92	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	24%	0.243	C	C	.	.			trans	-105.7	141.7	179.4	180	0	0	0	0	108.9	V394 Y400 L405 F433 L452 T455 L457	V394-V396 HydrophobicContact CG1-CG2 4.4Å; V394-V396 PolarHBondContact O-N 3.3Å; V396-Y400 HydrophobicContact CG1-CD2 3.96Å; V396-Y400 HydrophobicContact CG1-CG 4.26Å; V396-L405 HydrophobicContact CG1-CD1 4.14Å; V396-L405 HydrophobicContact CG1-CD2 3.98Å; V396-L405 HydrophobicContact CG2-CD1 4.31Å; V396-F433 HydrophobicContact CG1-CE1 4.08Å; V396-F433 HydrophobicContact CG1-CZ 4Å; V396-F433 HydrophobicContact CG2-CZ 4.33Å; V396-L452 HydrophobicContact CB-CD1 4.48Å; V396-T455 PolarHBondContact N-O 2.75Å; V396-L457 HydrophobicContact CG2-CB 3.7Å; V396-L457 HydrophobicContact CG2-CD2 4.4Å
397	D	93.8	Very high	93.4	Very high	86 Å²	86	39.3 Å²	39.3	46%	0.46	21%	0.209	S	C	.	.			trans	-57.7	131	175.5	-170.8	-57.7	0	0	0	110.1	I399 Y400	D397-I399 HydrophobicContact CB-CG1 4.15Å; D397-I399 PolarHBondContact O-N 3.4Å; D397-I399 VanDerWaalsContact OD1-CG1 3.31Å; D397-I399 WeakPolarHBondContact OD1-CG1 3.29Å; D397-I399 WeakPolarHBondContact OD1-CG2 3.02Å; D397-I399 PolarHBondContact OD1-N 2.87Å; D397-Y400 HydrophobicContact CB-CD2 3.95Å; D397-Y400 HydrophobicContact CB-CE2 4.05Å; D397-Y400 PolarHBondContact O-N 3.06Å
398	P	94.3	Very high	94.1	Very high	107 Å²	107	39.3 Å²	39.3	70%	0.695	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-13.9	-178.7	-23.2	30.5	0	0	0	115.3	Y400 T455	P398-Y400 PolarHBondContact O-N 3.37Å; P398-T455 HydrophobicContact CB-CG2 4.31Å; P398-T455 HydrophobicContact CG-CG2 3.83Å
399	I	92.9	Very high	94.3	Very high	64 Å²	64	35.7 Å²	35.7	33%	0.328	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.6	172.3	68.9	-176.8	0	0	0	112.2	D397 Q420 A431	D397-I399 HydrophobicContact CB-CG1 4.15Å; D397-I399 PolarHBondContact O-N 3.4Å; D397-I399 VanDerWaalsContact OD1-CG1 3.31Å; D397-I399 WeakPolarHBondContact OD1-CG1 3.29Å; D397-I399 WeakPolarHBondContact OD1-CG2 3.02Å; D397-I399 PolarHBondContact OD1-N 2.87Å; I399-Q420 PolarHBondContact O-NE2 3.12Å; I399-A431 HydrophobicContact CD1-CB 4.09Å
400	Y	95	Very high	94.2	Very high	15 Å²	15	37.1 Å²	37.1	6%	0.059	20%	0.199	C	C	.	.			trans	-85.4	135.4	-174.9	-62.7	-80.3	0	0	0	112.2	V396 D397 P398 E404 L405 Q420 A431 E432 F433	V396-Y400 HydrophobicContact CG1-CD2 3.96Å; V396-Y400 HydrophobicContact CG1-CG 4.26Å; D397-Y400 HydrophobicContact CB-CD2 3.95Å; D397-Y400 HydrophobicContact CB-CE2 4.05Å; D397-Y400 PolarHBondContact O-N 3.06Å; P398-Y400 PolarHBondContact O-N 3.37Å; Y400-E404 WeakPolarHBondContact CA-OE2 3.38Å; Y400-E404 HydrophobicContact CD1-CB 4.44Å; Y400-L405 HydrophobicContact CG-CD2 4.23Å; Y400-Q420 HydrophobicContact CD1-CB 4.07Å; Y400-Q420 HydrophobicContact CE1-CB 3.95Å; Y400-A431 VanDerWaalsContact OH-C 3.29Å; Y400-A431 PolarHBondContact OH-O 2.86Å; Y400-E432 PolarHBondContact OH-N 2.78Å; Y400-F433 HydrophobicContact CD1-CD1 4.44Å; Y400-F433 HydrophobicContact CD1-CE1 4.24Å; Y400-F433 AromaticContact CD2-CD1 3.92Å; Y400-F433 HydrophobicContact CD2-CD1 3.92Å; Y400-F433 AromaticContact CD2-CE1 3.67Å; Y400-F433 HydrophobicContact CD2-CE1 3.67Å; Y400-F433 AromaticContact CE1-CD1 3.98Å; Y400-F433 HydrophobicContact CE1-CD1 3.98Å; Y400-F433 HydrophobicContact CE1-CE1 4.24Å; Y400-F433 AromaticContact CE2-CD1 3.41Å; Y400-F433 HydrophobicContact CE2-CD1 3.41Å; Y400-F433 VanDerWaalsContact CE2-CD1 3.41Å; Y400-F433 AromaticContact CE2-CE1 3.68Å; Y400-F433 HydrophobicContact CE2-CE1 3.68Å; Y400-F433 HydrophobicContact CE2-CG 4.49Å; Y400-F433 HydrophobicContact CG-CD1 4.42Å; Y400-F433 AromaticContact CG-CE1 3.97Å; Y400-F433 HydrophobicContact CG-CE1 3.97Å; Y400-F433 AromaticContact CZ-CD1 3.45Å; Y400-F433 VanDerWaalsContact CZ-CD1 3.45Å; Y400-F433 AromaticContact CZ-CE1 3.99Å
401	K	94.5	Very high	93.9	Very high	130 Å²	130	37.9 Å²	37.9	57%	0.565	20%	0.204	S	C	*	.			trans	-96.9	163.8	170.8	-62.3	175.5	-174.2	172.1	0	111.2	D403 E404 L405	K401-D403 VanDerWaalsContact C-N 3.25Å; K401-D403 WeakPolarHBondContact CB-OD1 3.44Å; K401-D403 PolarHBondContact O-N 2.86Å; K401-E404 HydrophobicContact CB-CG 4.32Å; K401-E404 PolarHBondContact N-OE2 2.78Å; K401-E404 WeakPolarHBondContact O-CB 3.31Å; K401-E404 PolarHBondContact O-N 2.9Å; K401-L405 WeakPolarHBondContact O-CG 3.34Å
402	A	94.9	Very high	93.5	Very high	8 Å²	8	39.6 Å²	39.6	7%	0.066	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.9	-34.4	-178.4	0	0	0	0	0	113.4	P351 A353 E404 L405 L452	P351-A402 HydrophobicContact CB-CB 4.46Å; P351-A402 WeakPolarHBondContact O-CB 3.5Å; A353-A402 HydrophobicContact CB-CB 3.91Å; A402-E404 VanDerWaalsContact C-N 3.26Å; A402-E404 PolarHBondContact O-N 2.89Å; A402-L405 PolarHBondContact O-N 2.92Å; A402-L452 HydrophobicContact CB-CB 4.1Å; A402-L452 HydrophobicContact CB-CD2 4.15Å
403	D	92.9	Very high	93.4	Very high	111 Å²	111	44.4 Å²	44.4	59%	0.594	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-74.5	-13	176.3	61.2	-33.4	0	0	0	114.1	K401	K401-D403 VanDerWaalsContact C-N 3.25Å; K401-D403 WeakPolarHBondContact CB-OD1 3.44Å; K401-D403 PolarHBondContact O-N 2.86Å
404	E	94.5	Very high	93.3	Very high	41 Å²	41	43.9 Å²	43.9	19%	0.192	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-95.6	0.2	175.8	-62	176.1	145.2	0	0	112.4	Y400 K401 A402 G418 C419 Q420	Y400-E404 WeakPolarHBondContact CA-OE2 3.38Å; Y400-E404 HydrophobicContact CD1-CB 4.44Å; K401-E404 HydrophobicContact CB-CG 4.32Å; K401-E404 PolarHBondContact N-OE2 2.78Å; K401-E404 WeakPolarHBondContact O-CB 3.31Å; K401-E404 PolarHBondContact O-N 2.9Å; A402-E404 VanDerWaalsContact C-N 3.26Å; A402-E404 PolarHBondContact O-N 2.89Å; E404-G418 CarbonylContact O-C 3.56Å; E404-G418 VanDerWaalsContact O-CA 3.24Å; E404-G418 WeakPolarHBondContact O-CA 3.46Å; E404-C419 PolarHBondContact O-N 2.59Å; E404-Q420 WeakPolarHBondContact OE1-CG 3.29Å; E404-Q420 PolarHBondContact OE1-NE2 2.92Å; E404-Q420 PolarHBondContact OE2-NE2 2.91Å; E404-Q420 VanDerWaalsContact OE2-NE2 3.08Å
405	L	96.7	Very high	93.3	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148.8	-177.7	-61.8	176.5	0	0	0	112.1	P351 V396 Y400 K401 A402 T417 F433 L452	P351-L405 VanDerWaalsContact CD-O 3.31Å; P351-L405 WeakPolarHBondContact CD-O 3.29Å; P351-L405 HydrophobicContact CG-CB 3.85Å; P351-L405 HydrophobicContact CG-CD1 4.38Å; V396-L405 HydrophobicContact CG1-CD1 4.14Å; V396-L405 HydrophobicContact CG1-CD2 3.98Å; V396-L405 HydrophobicContact CG2-CD1 4.31Å; Y400-L405 HydrophobicContact CG-CD2 4.23Å; K401-L405 WeakPolarHBondContact O-CG 3.34Å; A402-L405 PolarHBondContact O-N 2.92Å; L405-T417 CarbonylContact C-O 3.47Å; L405-T417 WeakPolarHBondContact CA-O 3.16Å; L405-F433 HydrophobicContact CD2-CE1 3.62Å; L405-F433 HydrophobicContact CD2-CZ 3.73Å; L405-L452 HydrophobicContact CD1-CD1 4.24Å; L405-L452 HydrophobicContact CD1-CD2 4.13Å
406	C	96.8	Very high	93.4	Very high	7 Å²	7	39.7 Å²	39.7	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	129.5	171.9	171.7	0	0	0	0	111.2	Q342 G348 I416 T417	Q342-C406 PolarHBondContact NE2-SG 2.73Å; G348-C406 VanDerWaalsContact CA-SG 3.57Å; C406-I416 WeakPolarHBondContact O-CA 3.45Å; C406-T417 PolarHBondContact N-O 3.19Å; C406-T417 PolarHBondContact O-N 3.28Å; C406-T417 PolarHBondContact O-OG1 2.89Å
407	V	97.3	Very high	93.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.4	171.7	-173	0	0	0	0	109	G348 I349 P351 I414 I416 V448 A450 L457 V459	G348-V407 CarbonylContact C-O 3.49Å; G348-V407 WeakPolarHBondContact CA-O 3.24Å; I349-V407 HydrophobicContact CB-CB 4.41Å; I349-V407 PolarHBondContact N-O 2.85Å; I349-V407 PolarHBondContact O-N 2.91Å; P351-V407 HydrophobicContact CG-CG2 4.28Å; V407-I414 HydrophobicContact CG1-CG2 3.92Å; V407-I416 HydrophobicContact CG1-CG1 4.41Å; V407-I416 HydrophobicContact CG2-CG1 4.28Å; V407-V448 HydrophobicContact CG1-CG1 4.08Å; V407-A450 HydrophobicContact CG2-CB 3.85Å; V407-L457 HydrophobicContact CG2-CD2 4.02Å; V407-V459 HydrophobicContact CG1-CG1 3.86Å; V407-V459 HydrophobicContact CG1-CG2 4.02Å; V407-V459 HydrophobicContact CG2-CG2 3.9Å
408	R	95.2	Very high	93.5	Very high	19 Å²	19	37.1 Å²	37.1	7%	0.072	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	162.3	177.6	67.6	-173.9	-58.1	110.5	-46.9	111.5	D344 Q346 L347 I414 V415	D344-R408 IonicContact OD1-CZ 3.75Å; D344-R408 IonicContact OD1-NH2 3.36Å; D344-R408 PolarHBondContact OD1-NH2 2.95Å; D344-R408 IonicContact OD2-CZ 2.71Å; D344-R408 IonicContact OD2-NH2 3.78Å; D344-R408 PolarHBondContact OD2-NH2 2.96Å; Q346-R408 PolarHBondContact O-NH1 2.96Å; Q346-R408 VanDerWaalsContact O-NH1 3.12Å; Q346-R408 VanDerWaalsContact OE1-CZ 3.32Å; L347-R408 PolarHBondContact O-NH1 2.77Å; L347-R408 VanDerWaalsContact O-NH1 3.11Å; R408-I414 WeakPolarHBondContact O-CA 3.36Å; R408-V415 HydrophobicContact CG-CB 3.71Å; R408-V415 HydrophobicContact CG-CG1 4.42Å; R408-V415 WeakPolarHBondContact CG-O 3.5Å; R408-V415 PolarHBondContact N-O 3.3Å; R408-V415 PolarHBondContact O-N 3.07Å
409	M	91.8	Very high	93.5	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.025	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.3	172.6	-67	-58.4	-58.8	0	0	110.3	K245 S411 R413 I414 V439 V443 P445 V448	K245-M409 WeakPolarHBondContact CB-O 3.11Å; M409-S411 VanDerWaalsContact CE-O 3.22Å; M409-S411 WeakPolarHBondContact CE-O 3.48Å; M409-R413 WeakPolarHBondContact CA-O 3.26Å; M409-I414 HydrophobicContact CE-CG1 4.34Å; M409-I414 HydrophobicContact SD-CB 4.48Å; M409-I414 HydrophobicContact SD-CD1 4.41Å; M409-I414 HydrophobicContact SD-CG1 3.44Å; M409-I414 WeakPolarHBondContact SD-CG1 3.29Å; M409-V439 HydrophobicContact CE-CG2 4.16Å; M409-V443 HydrophobicContact CE-CG2 3.65Å; M409-V443 HydrophobicContact CG-CG2 3.82Å; M409-V443 HydrophobicContact SD-CG2 3.34Å; M409-V443 WeakPolarHBondContact SD-CG2 3.46Å; M409-P445 HydrophobicContact CB-CB 4.36Å; M409-P445 HydrophobicContact CB-CG 4.01Å; M409-P445 HydrophobicContact CG-CB 4.33Å; M409-P445 HydrophobicContact CG-CG 4.26Å; M409-V448 HydrophobicContact CG-CG2 4.3Å
410	D	89.2	Confident	93.5	Very high	61 Å²	61	31.8 Å²	31.8	33%	0.326	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	92.2	165.4	-178.6	24.4	0	0	0	108.2	K245 N412 R413 V415	K245-D410 WeakPolarHBondContact CD-OD1 3.41Å; K245-D410 IonicContact NZ-OD1 3.64Å; K245-D410 PolarHBondContact NZ-OD1 3.12Å; D410-N412 PolarHBondContact O-N 2.72Å; D410-R413 PolarHBondContact N-O 2.94Å; D410-R413 WeakPolarHBondContact O-CB 3.22Å; D410-R413 PolarHBondContact O-N 3.21Å; D410-V415 HydrophobicContact CB-CG2 4.14Å
411	S	84.6	Confident	93.2	Very high	18 Å²	18	38 Å²	38	13%	0.126	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-124.1	-171.3	-55.4	0	0	0	0	111	D242 K245 M409 R413 T442	D242-S411 VanDerWaalsContact CB-OG 3.3Å; D242-S411 WeakPolarHBondContact CB-OG 3.44Å; D242-S411 PolarHBondContact OD2-OG 3.21Å; K245-S411 PolarHBondContact NZ-OG 3.24Å; M409-S411 VanDerWaalsContact CE-O 3.22Å; M409-S411 WeakPolarHBondContact CE-O 3.48Å; S411-R413 PolarHBondContact O-N 3.23Å; S411-R413 VanDerWaalsContact O-N 3.15Å; S411-T442 PolarHBondContact O-OG1 3.1Å
412	N	86.4	Confident	92.8	Very high	35 Å²	35	36.5 Å²	36.5	19%	0.187	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	31.4	176.2	-69.4	68.7	0	0	0	113.6	D410 V439 T442	D410-N412 PolarHBondContact O-N 2.72Å; N412-V439 VanDerWaalsContact C-CG2 3.45Å; N412-V439 VanDerWaalsContact O-CG2 3.29Å; N412-V439 WeakPolarHBondContact O-CG2 3.4Å; N412-V439 PolarHBondContact O-N 3.24Å; N412-T442 PolarHBondContact ND2-N 3.04Å
413	R	91.3	Very high	92.4	Very high	101 Å²	101	41 Å²	41	38%	0.381	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.7	177.7	-62.2	-179.2	172	-150.4	-4.1	111.2	M409 D410 S411 F437 E438	M409-R413 WeakPolarHBondContact CA-O 3.26Å; D410-R413 PolarHBondContact N-O 2.94Å; D410-R413 WeakPolarHBondContact O-CB 3.22Å; D410-R413 PolarHBondContact O-N 3.21Å; S411-R413 PolarHBondContact O-N 3.23Å; S411-R413 VanDerWaalsContact O-N 3.15Å; R413-F437 CarbonylContact C-O 3.57Å; R413-F437 VanDerWaalsContact CA-O 3.25Å; R413-F437 WeakPolarHBondContact CA-O 3.4Å; R413-E438 HydrophobicContact CG-CG 4.07Å; R413-E438 IonicContact CZ-OE1 3.21Å; R413-E438 IonicContact NE-OE1 3.71Å; R413-E438 IonicContact NH2-OE1 3.49Å; R413-E438 PolarHBondContact NH2-OE1 2.87Å
414	I	93.2	Very high	91.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	129	161	-72.3	175.8	0	0	0	107.6	L390 L392 V407 R408 M409 I416 S436 F437 V439 V459	L390-I414 HydrophobicContact CD2-CD1 3.42Å; L390-I414 VanDerWaalsContact CD2-CD1 3.42Å; L390-I414 HydrophobicContact CD2-CG1 4.3Å; L390-I414 HydrophobicContact CG-CD1 4.3Å; L392-I414 HydrophobicContact CD2-CB 4.2Å; L392-I414 HydrophobicContact CD2-CD1 3.91Å; L392-I414 HydrophobicContact CD2-CG2 3.89Å; V407-I414 HydrophobicContact CG1-CG2 3.92Å; R408-I414 WeakPolarHBondContact O-CA 3.36Å; M409-I414 HydrophobicContact CE-CG1 4.34Å; M409-I414 HydrophobicContact SD-CB 4.48Å; M409-I414 HydrophobicContact SD-CD1 4.41Å; M409-I414 HydrophobicContact SD-CG1 3.44Å; M409-I414 WeakPolarHBondContact SD-CG1 3.29Å; I414-I416 HydrophobicContact CG2-CD1 4.24Å; I414-I416 HydrophobicContact CG2-CG1 4Å; I414-S436 CarbonylContact O-C 3.15Å; I414-S436 VanDerWaalsContact O-CA 3.29Å; I414-S436 WeakPolarHBondContact O-CA 3.21Å; I414-F437 PolarHBondContact N-O 2.65Å; I414-F437 PolarHBondContact O-N 2.87Å; I414-V439 HydrophobicContact CD1-CG1 4.17Å; I414-V439 HydrophobicContact CG1-CG1 4.15Å; I414-V459 HydrophobicContact CD1-CG1 4.15Å
415	V	95	Very high	91.3	Very high	18 Å²	18	44.3 Å²	44.3	11%	0.109	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.9	171.7	-174.2	0	0	0	0	108.5	R408 D410 T417 T434 Q435	R408-V415 HydrophobicContact CG-CB 3.71Å; R408-V415 HydrophobicContact CG-CG1 4.42Å; R408-V415 WeakPolarHBondContact CG-O 3.5Å; R408-V415 PolarHBondContact N-O 3.3Å; R408-V415 PolarHBondContact O-N 3.07Å; D410-V415 HydrophobicContact CB-CG2 4.14Å; V415-T417 HydrophobicContact CG1-CG2 4.16Å; V415-T434 HydrophobicContact CG1-CG2 3.73Å; V415-Q435 CarbonylContact C-O 3.47Å; V415-Q435 WeakPolarHBondContact CA-O 3.48Å
416	I	96.4	Very high	90.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.8	175.2	-67.6	161	0	0	0	107.2	L392 V394 C406 V407 I414 F433 T434 Q435 F437 L457 V459	L392-I416 HydrophobicContact CD2-CD1 4.09Å; V394-I416 HydrophobicContact CB-CD1 4.01Å; V394-I416 HydrophobicContact CG1-CD1 4.33Å; V394-I416 HydrophobicContact CG2-CD1 3.42Å; V394-I416 VanDerWaalsContact CG2-CD1 3.42Å; C406-I416 WeakPolarHBondContact O-CA 3.45Å; V407-I416 HydrophobicContact CG1-CG1 4.41Å; V407-I416 HydrophobicContact CG2-CG1 4.28Å; I414-I416 HydrophobicContact CG2-CD1 4.24Å; I414-I416 HydrophobicContact CG2-CG1 4Å; I416-F433 HydrophobicContact CG2-CE2 3.87Å; I416-F433 HydrophobicContact CG2-CZ 4.01Å; I416-T434 CarbonylContact O-C 3.58Å; I416-T434 VanDerWaalsContact O-CA 3.3Å; I416-T434 WeakPolarHBondContact O-CA 3.13Å; I416-Q435 PolarHBondContact N-O 3.33Å; I416-Q435 PolarHBondContact O-N 2.83Å; I416-F437 HydrophobicContact CD1-CD2 4.3Å; I416-F437 HydrophobicContact CD1-CE2 3.91Å; I416-L457 HydrophobicContact CD1-CD2 3.9Å; I416-L457 HydrophobicContact CG1-CD2 4.08Å; I416-L457 HydrophobicContact CG2-CD2 3.66Å; I416-V459 HydrophobicContact CD1-CG2 4.5Å
417	T	96.4	Very high	89.8	Confident	31 Å²	31	52.5 Å²	52.5	19%	0.19	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.3	176.8	55.7	0	0	0	0	109.8	L405 C406 V415 F433 T434	L405-T417 CarbonylContact C-O 3.47Å; L405-T417 WeakPolarHBondContact CA-O 3.16Å; C406-T417 PolarHBondContact N-O 3.19Å; C406-T417 PolarHBondContact O-N 3.28Å; C406-T417 PolarHBondContact O-OG1 2.89Å; V415-T417 HydrophobicContact CG1-CG2 4.16Å; T417-F433 CarbonylContact C-O 3.58Å; T417-F433 VanDerWaalsContact CA-O 3.27Å; T417-F433 WeakPolarHBondContact CA-O 3.22Å; T417-T434 HydrophobicContact CG2-CG2 4.05Å
418	G	95.3	Very high	89.1	Confident	4 Å²	4	54.8 Å²	54.8	4%	0.041	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.3	168.2	0	0	0	0	0	110.4	E404 E432 F433	E404-G418 CarbonylContact O-C 3.56Å; E404-G418 VanDerWaalsContact O-CA 3.24Å; E404-G418 WeakPolarHBondContact O-CA 3.46Å; G418-E432 CarbonylContact O-C 3.49Å; G418-E432 WeakPolarHBondContact O-CA 3.45Å; G418-F433 PolarHBondContact N-O 3.25Å; G418-F433 PolarHBondContact O-N 2.79Å
419	C	93.3	Very high	88.7	Confident	47 Å²	47	55.7 Å²	55.7	32%	0.318	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	113.2	176.1	179.9	0	0	0	0	109.5	E404 E432	E404-C419 PolarHBondContact O-N 2.59Å; C419-E432 HydrophobicContact CB-CG 3.81Å; C419-E432 VanDerWaalsContact SG-CG 3.58Å; C419-E432 PolarHBondContact SG-OE1 2.8Å
420	Q	93	Very high	88.6	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.056	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.3	173.8	170.7	167.2	94.4	0	0	109.8	I399 Y400 E404 K422 T430 A431	I399-Q420 PolarHBondContact O-NE2 3.12Å; Y400-Q420 HydrophobicContact CD1-CB 4.07Å; Y400-Q420 HydrophobicContact CE1-CB 3.95Å; E404-Q420 WeakPolarHBondContact OE1-CG 3.29Å; E404-Q420 PolarHBondContact OE1-NE2 2.92Å; E404-Q420 PolarHBondContact OE2-NE2 2.91Å; E404-Q420 VanDerWaalsContact OE2-NE2 3.08Å; Q420-K422 HydrophobicContact CG-CG 4.24Å; Q420-T430 CarbonylContact O-C 3.58Å; Q420-T430 VanDerWaalsContact O-CA 3.28Å; Q420-T430 WeakPolarHBondContact O-CA 3.2Å; Q420-A431 PolarHBondContact N-O 2.79Å; Q420-A431 PolarHBondContact O-N 2.83Å
421	K	88.4	Confident	88.6	Confident	144 Å²	144	54.3 Å²	54.3	63%	0.626	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.3	173.5	-63.7	-179.4	-178.5	170.9	0	109.7	T430	K421-T430 HydrophobicContact CG-CG2 3.98Å
422	K	86.7	Confident	89	Confident	99 Å²	99	56.8 Å²	56.8	43%	0.43	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.1	172.8	-76.5	167.7	169.5	153.5	0	108.7	Q420 T428 S429	Q420-K422 HydrophobicContact CG-CG 4.24Å; K422-T428 CarbonylContact O-C 3.5Å; K422-T428 WeakPolarHBondContact O-CA 3.24Å; K422-S429 PolarHBondContact N-O 2.85Å; K422-S429 PolarHBondContact O-N 2.78Å
423	T	85.4	Confident	89.4	Confident	102 Å²	102	55.9 Å²	55.9	63%	0.626	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.7	176.8	-59.4	0	0	0	0	109.5	T428	T423-T428 PolarHBondContact OG1-OG1 2.95Å
424	D	82.7	Confident	89.5	Confident	109 Å²	109	53.6 Å²	53.6	58%	0.583	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	167	167	-65.5	-30.2	0	0	0	109.6	K426 S427	D424-K426 PolarHBondContact O-N 3.19Å; D424-S427 PolarHBondContact N-O 3.43Å; D424-S427 PolarHBondContact O-N 3.28Å
425	A	82.9	Confident	89.5	Confident	113 Å²	113	55.9 Å²	55.9	93%	0.934	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-18	-175.4	0	0	0	0	0	115.7
426	K	80.7	Confident	89.4	Confident	162 Å²	162	56.1 Å²	56.1	70%	0.704	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	-6.4	-178	-65.3	-177.3	-180	176.7	0	114.1	S172 D424	S172-K426 PolarHBondContact N-O 3.01Å; D424-K426 PolarHBondContact O-N 3.19Å
427	S	81.4	Confident	89.2	Confident	23 Å²	23	57 Å²	57	16%	0.161	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	141	-171.1	53.4	0	0	0	0	113	S170 H171 D424	S170-S427 VanDerWaalsContact O-CA 3.22Å; S170-S427 WeakPolarHBondContact O-CA 3.44Å; S170-S427 WeakPolarHBondContact O-CB 3.39Å; H171-S427 VanDerWaalsContact CE1-CB 3.47Å; H171-S427 WeakPolarHBondContact CE1-CB 3.36Å; H171-S427 VanDerWaalsContact ND1-CB 3.29Å; H171-S427 WeakPolarHBondContact ND1-CB 3.21Å; D424-S427 PolarHBondContact N-O 3.43Å; D424-S427 PolarHBondContact O-N 3.28Å
428	T	82.6	Confident	88.9	Confident	48 Å²	48	59.1 Å²	59.1	29%	0.294	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121	168.7	-57.7	0	0	0	0	107.8	S170 K422 T423	S170-T428 PolarHBondContact N-O 2.88Å; S170-T428 PolarHBondContact O-N 2.83Å; S170-T428 VanDerWaalsContact O-N 3.08Å; S170-T428 PolarHBondContact OG-O 3.36Å; K422-T428 CarbonylContact O-C 3.5Å; K422-T428 WeakPolarHBondContact O-CA 3.24Å; T423-T428 PolarHBondContact OG1-OG1 2.95Å
429	S	86.3	Confident	88.5	Confident	38 Å²	38	59.3 Å²	59.3	27%	0.266	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.5	169.6	64.1	0	0	0	0	109.7	S168 K422	S168-S429 CarbonylContact O-C 3.53Å; S168-S429 WeakPolarHBondContact O-CA 3.47Å; K422-S429 PolarHBondContact N-O 2.85Å; K422-S429 PolarHBondContact O-N 2.78Å
430	T	88.6	Confident	87.7	Confident	19 Å²	19	60.9 Å²	60.9	12%	0.117	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.1	176.1	-59.1	0	0	0	0	108.5	S167 S168 Q420 K421 E432	S167-T430 CarbonylContact C-O 3.57Å; S167-T430 WeakPolarHBondContact CA-O 3.23Å; S168-T430 PolarHBondContact N-O 3.43Å; S168-T430 PolarHBondContact O-N 2.87Å; Q420-T430 CarbonylContact O-C 3.58Å; Q420-T430 VanDerWaalsContact O-CA 3.28Å; Q420-T430 WeakPolarHBondContact O-CA 3.2Å; K421-T430 HydrophobicContact CG-CG2 3.98Å; T430-E432 HydrophobicContact CG2-CG 3.88Å; T430-E432 WeakPolarHBondContact CG2-OE1 3.45Å
431	A	90.4	Very high	87	Confident	17 Å²	17	62 Å²	62	14%	0.14	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.9	171.8	0	0	0	0	0	108	I399 Y400 Q420	I399-A431 HydrophobicContact CD1-CB 4.09Å; Y400-A431 VanDerWaalsContact OH-C 3.29Å; Y400-A431 PolarHBondContact OH-O 2.86Å; Q420-A431 PolarHBondContact N-O 2.79Å; Q420-A431 PolarHBondContact O-N 2.83Å
432	E	93.2	Very high	86.7	Confident	71 Å²	71	55.6 Å²	55.6	33%	0.332	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.9	-178.5	-75.6	165.6	-170.3	0	0	110.7	I165 T166 Y400 G418 C419 T430	I165-E432 CarbonylContact C-O 3.58Å; I165-E432 WeakPolarHBondContact CA-O 3.41Å; I165-E432 WeakPolarHBondContact CG2-O 3.18Å; T166-E432 PolarHBondContact N-O 2.7Å; T166-E432 WeakPolarHBondContact O-CB 3.5Å; T166-E432 PolarHBondContact O-N 2.84Å; T166-E432 WeakPolarHBondContact OG1-CB 3.44Å; Y400-E432 PolarHBondContact OH-N 2.78Å; G418-E432 CarbonylContact O-C 3.49Å; G418-E432 WeakPolarHBondContact O-CA 3.45Å; C419-E432 HydrophobicContact CB-CG 3.81Å; C419-E432 VanDerWaalsContact SG-CG 3.58Å; C419-E432 PolarHBondContact SG-OE1 2.8Å; T430-E432 HydrophobicContact CG2-CG 3.88Å; T430-E432 WeakPolarHBondContact CG2-OE1 3.45Å
433	F	94.2	Very high	86.8	Confident	15 Å²	15	50.9 Å²	50.9	7%	0.066	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.5	165.8	80.6	-81.7	0	0	0	111.8	R164 I165 V396 Y400 L405 I416 T417 G418 Q435	R164-F433 CarbonylContact O-C 3.56Å; R164-F433 VanDerWaalsContact O-CA 3.24Å; R164-F433 WeakPolarHBondContact O-CA 3.2Å; I165-F433 HydrophobicContact CG1-CB 3.93Å; V396-F433 HydrophobicContact CG1-CE1 4.08Å; V396-F433 HydrophobicContact CG1-CZ 4Å; V396-F433 HydrophobicContact CG2-CZ 4.33Å; Y400-F433 HydrophobicContact CD1-CD1 4.44Å; Y400-F433 HydrophobicContact CD1-CE1 4.24Å; Y400-F433 AromaticContact CD2-CD1 3.92Å; Y400-F433 HydrophobicContact CD2-CD1 3.92Å; Y400-F433 AromaticContact CD2-CE1 3.67Å; Y400-F433 HydrophobicContact CD2-CE1 3.67Å; Y400-F433 AromaticContact CE1-CD1 3.98Å; Y400-F433 HydrophobicContact CE1-CD1 3.98Å; Y400-F433 HydrophobicContact CE1-CE1 4.24Å; Y400-F433 AromaticContact CE2-CD1 3.41Å; Y400-F433 HydrophobicContact CE2-CD1 3.41Å; Y400-F433 VanDerWaalsContact CE2-CD1 3.41Å; Y400-F433 AromaticContact CE2-CE1 3.68Å; Y400-F433 HydrophobicContact CE2-CE1 3.68Å; Y400-F433 HydrophobicContact CE2-CG 4.49Å; Y400-F433 HydrophobicContact CG-CD1 4.42Å; Y400-F433 AromaticContact CG-CE1 3.97Å; Y400-F433 HydrophobicContact CG-CE1 3.97Å; Y400-F433 AromaticContact CZ-CD1 3.45Å; Y400-F433 VanDerWaalsContact CZ-CD1 3.45Å; Y400-F433 AromaticContact CZ-CE1 3.99Å; L405-F433 HydrophobicContact CD2-CE1 3.62Å; L405-F433 HydrophobicContact CD2-CZ 3.73Å; I416-F433 HydrophobicContact CG2-CE2 3.87Å; I416-F433 HydrophobicContact CG2-CZ 4.01Å; T417-F433 CarbonylContact C-O 3.58Å; T417-F433 VanDerWaalsContact CA-O 3.27Å; T417-F433 WeakPolarHBondContact CA-O 3.22Å; G418-F433 PolarHBondContact N-O 3.25Å; G418-F433 PolarHBondContact O-N 2.79Å; F433-Q435 HydrophobicContact CD2-CG 4.11Å; F433-Q435 HydrophobicContact CE2-CG 4.37Å
434	T	94.2	Very high	87.1	Confident	54 Å²	54	46.1 Å²	46.1	33%	0.331	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.9	169.7	-60.3	0	0	0	0	107.9	S163 R164 V415 I416 T417	S163-T434 CarbonylContact C-O 3.56Å; S163-T434 VanDerWaalsContact CA-O 3.26Å; S163-T434 WeakPolarHBondContact CA-O 3.39Å; R164-T434 PolarHBondContact N-O 2.92Å; R164-T434 PolarHBondContact O-N 2.94Å; V415-T434 HydrophobicContact CG1-CG2 3.73Å; I416-T434 CarbonylContact O-C 3.58Å; I416-T434 VanDerWaalsContact O-CA 3.3Å; I416-T434 WeakPolarHBondContact O-CA 3.13Å; T417-T434 HydrophobicContact CG2-CG2 4.05Å
435	Q	92.7	Very high	87.6	Confident	47 Å²	47	41.2 Å²	41.2	22%	0.22	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.1	171	-81.1	176.4	-28.7	0	0	109.2	S162 V415 I416 F433 F437	S162-Q435 CarbonylContact O-C 3.46Å; S162-Q435 VanDerWaalsContact O-CA 3.3Å; S162-Q435 WeakPolarHBondContact O-CA 3.49Å; V415-Q435 CarbonylContact C-O 3.47Å; V415-Q435 WeakPolarHBondContact CA-O 3.48Å; I416-Q435 PolarHBondContact N-O 3.33Å; I416-Q435 PolarHBondContact O-N 2.83Å; F433-Q435 HydrophobicContact CD2-CG 4.11Å; F433-Q435 HydrophobicContact CE2-CG 4.37Å; Q435-F437 HydrophobicContact CB-CE2 3.71Å; Q435-F437 HydrophobicContact CB-CZ 4.14Å
436	S	93.1	Very high	88	Confident	24 Å²	24	37 Å²	37	17%	0.168	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.5	179.1	-55.3	0	0	0	0	110.6	S161 S162 I414	S161-S436 VanDerWaalsContact CA-O 3.26Å; S161-S436 WeakPolarHBondContact CA-O 3.4Å; S162-S436 PolarHBondContact N-O 3.46Å; S162-S436 VanDerWaalsContact N-O 3.13Å; S162-S436 PolarHBondContact O-N 3.01Å; I414-S436 CarbonylContact O-C 3.15Å; I414-S436 VanDerWaalsContact O-CA 3.29Å; I414-S436 WeakPolarHBondContact O-CA 3.21Å
437	F	91.8	Very high	88.5	Confident	18 Å²	18	30.7 Å²	30.7	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.5	-176.8	-58	-92.9	0	0	0	109.1	P378 L392 V394 R413 I414 I416 Q435	P378-F437 HydrophobicContact CG-CB 3.9Å; P378-F437 HydrophobicContact CG-CD1 4.42Å; L392-F437 HydrophobicContact CD1-CD1 4.11Å; L392-F437 HydrophobicContact CD1-CE1 4.33Å; L392-F437 HydrophobicContact CD1-CG 4.25Å; L392-F437 HydrophobicContact CD2-CB 4.3Å; L392-F437 HydrophobicContact CD2-CD2 3.88Å; L392-F437 HydrophobicContact CD2-CE2 4.42Å; L392-F437 HydrophobicContact CD2-CG 4.05Å; V394-F437 HydrophobicContact CG1-CE2 4.48Å; V394-F437 HydrophobicContact CG1-CZ 4.19Å; V394-F437 HydrophobicContact CG2-CD2 4.5Å; V394-F437 HydrophobicContact CG2-CE1 4.31Å; V394-F437 HydrophobicContact CG2-CE2 3.65Å; V394-F437 HydrophobicContact CG2-CZ 3.53Å; R413-F437 CarbonylContact C-O 3.57Å; R413-F437 VanDerWaalsContact CA-O 3.25Å; R413-F437 WeakPolarHBondContact CA-O 3.4Å; I414-F437 PolarHBondContact N-O 2.65Å; I414-F437 PolarHBondContact O-N 2.87Å; I416-F437 HydrophobicContact CD1-CD2 4.3Å; I416-F437 HydrophobicContact CD1-CE2 3.91Å; Q435-F437 HydrophobicContact CB-CE2 3.71Å; Q435-F437 HydrophobicContact CB-CZ 4.14Å
438	E	90.2	Very high	89.1	Confident	75 Å²	75	30 Å²	30	35%	0.35	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.4	171	-73.4	-177.7	156.6	0	0	110.8	T160 R413	T160-E438 PolarHBondContact O-N 3.42Å; T160-E438 WeakPolarHBondContact OG1-CG 3.44Å; T160-E438 PolarHBondContact OG1-OE1 2.97Å; T160-E438 PolarHBondContact OG1-OE2 3.17Å; R413-E438 HydrophobicContact CG-CG 4.07Å; R413-E438 IonicContact CZ-OE1 3.21Å; R413-E438 IonicContact NE-OE1 3.71Å; R413-E438 IonicContact NH2-OE1 3.49Å; R413-E438 PolarHBondContact NH2-OE1 2.87Å
439	V	85.9	Confident	89.6	Confident	9 Å²	9	30 Å²	30	6%	0.055	17%	0.17	C	C	.	.			trans	-124.1	145.5	179.5	-62.8	0	0	0	0	109.7	P378 L390 M409 N412 I414 E441	P378-V439 HydrophobicContact CB-CG1 4.21Å; L390-V439 HydrophobicContact CD1-CB 4.44Å; L390-V439 HydrophobicContact CD1-CG1 4.01Å; L390-V439 HydrophobicContact CD2-CB 4.2Å; L390-V439 HydrophobicContact CD2-CG1 3.75Å; M409-V439 HydrophobicContact CE-CG2 4.16Å; N412-V439 VanDerWaalsContact C-CG2 3.45Å; N412-V439 VanDerWaalsContact O-CG2 3.29Å; N412-V439 WeakPolarHBondContact O-CG2 3.4Å; N412-V439 PolarHBondContact O-N 3.24Å; I414-V439 HydrophobicContact CD1-CG1 4.17Å; I414-V439 HydrophobicContact CG1-CG1 4.15Å; V439-E441 VanDerWaalsContact CG2-O 3.23Å; V439-E441 WeakPolarHBondContact CG2-O 3.38Å; V439-E441 PolarHBondContact O-N 3Å
440	P	77	Confident	90.1	Very high	80 Å²	80	28.5 Å²	28.5	52%	0.519	16%	0.16	S	C	.	.	S	Bend	trans	-64.3	-28.8	-171.9	24.9	-34.9	0	0	0	112.9	I380	I380-P440 HydrophobicContact CD1-CG 3.78Å; I380-P440 HydrophobicContact CG1-CG 3.84Å
441	E	78.9	Confident	90.5	Very high	35 Å²	35	27.8 Å²	27.8	16%	0.164	16%	0.155	C	C	.	.	S	Bend	trans	-139.8	143.4	179.8	-166.2	-173.9	137.5	0	0	107.7	R388 V439 L463 L464 C465	R388-E441 IonicContact NH2-OE2 2.72Å; R388-E441 PolarHBondContact NH2-OE2 3.35Å; V439-E441 VanDerWaalsContact CG2-O 3.23Å; V439-E441 WeakPolarHBondContact CG2-O 3.38Å; V439-E441 PolarHBondContact O-N 3Å; E441-L463 HydrophobicContact CB-CD2 4.48Å; E441-L464 PolarHBondContact OE1-N 3.16Å; E441-C465 VanDerWaalsContact OE1-CB 3.29Å; E441-C465 WeakPolarHBondContact OE1-CB 3.49Å; E441-C465 PolarHBondContact OE1-N 2.76Å
442	T	82.6	Confident	90.7	Very high	9 Å²	9	27.8 Å²	27.8	6%	0.055	15%	0.153	C	C	.	.			trans	-58.8	153	168.1	-172.1	0	0	0	0	110	M241 S411 N412	M241-T442 HydrophobicContact CB-CG2 3.17Å; M241-T442 HydrophobicContact CG-CG2 3.53Å; S411-T442 PolarHBondContact O-OG1 3.1Å; N412-T442 PolarHBondContact ND2-N 3.04Å
443	V	89	Confident	90.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-118.8	159.8	168.4	-62.3	0	0	0	0	108.6	L390 M409 P445 V448 A461 L463	L390-V443 HydrophobicContact CB-CG1 4.28Å; L390-V443 HydrophobicContact CD2-CG1 4.03Å; L390-V443 HydrophobicContact CD2-CG2 4.47Å; M409-V443 HydrophobicContact CE-CG2 3.65Å; M409-V443 HydrophobicContact CG-CG2 3.82Å; M409-V443 HydrophobicContact SD-CG2 3.34Å; M409-V443 WeakPolarHBondContact SD-CG2 3.46Å; V443-P445 VanDerWaalsContact O-CD 3.23Å; V443-P445 WeakPolarHBondContact O-CD 3.43Å; V443-V448 HydrophobicContact CG2-CG2 3.89Å; V443-A461 HydrophobicContact CB-CB 3.84Å; V443-A461 HydrophobicContact CG1-CB 3.98Å; V443-A461 HydrophobicContact CG2-CB 3.74Å; V443-L463 HydrophobicContact CG1-CD2 3.63Å
444	D	90.8	Very high	90.7	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	17%	0.173	C	C	.	.			trans	-67.2	117	170.8	166.6	27.3	0	0	0	109.8	Y248 P307 S309 F446 S447 L464	Y248-D444 WeakPolarHBondContact CE2-OD1 3.46Å; Y248-D444 VanDerWaalsContact OH-CG 3.26Å; Y248-D444 PolarHBondContact OH-OD1 3.48Å; Y248-D444 PolarHBondContact OH-OD2 2.78Å; P307-D444 HydrophobicContact CB-CB 3.99Å; P307-D444 HydrophobicContact CG-CB 4.35Å; S309-D444 WeakPolarHBondContact CB-OD2 3.49Å; S309-D444 PolarHBondContact OG-OD2 3.37Å; D444-F446 PolarHBondContact O-N 2.71Å; D444-F446 VanDerWaalsContact O-N 3.09Å; D444-F446 PolarHBondContact OD1-N 2.97Å; D444-S447 WeakPolarHBondContact O-CB 3.36Å; D444-S447 PolarHBondContact O-N 3.44Å; D444-S447 PolarHBondContact O-OG 3.23Å; D444-S447 PolarHBondContact OD2-N 3.29Å; D444-L464 HydrophobicContact CB-CD1 4.4Å; D444-L464 HydrophobicContact CB-CD2 4.08Å; D444-L464 HydrophobicContact CB-CG 4.46Å
445	P	93.2	Very high	90.7	Very high	7 Å²	7	29 Å²	29	5%	0.045	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-51.3	-35	179	-20.9	24.2	0	0	0	113.5	L244 Y248 L347 M409 V443 S447 V448	L244-P445 HydrophobicContact CB-CG 4.33Å; Y248-P445 HydrophobicContact CD2-CB 4.32Å; Y248-P445 HydrophobicContact CD2-CG 4.22Å; Y248-P445 HydrophobicContact CE2-CB 4.37Å; Y248-P445 HydrophobicContact CE2-CG 4.13Å; L347-P445 HydrophobicContact CD2-CB 4.07Å; M409-P445 HydrophobicContact CB-CB 4.36Å; M409-P445 HydrophobicContact CB-CG 4.01Å; M409-P445 HydrophobicContact CG-CB 4.33Å; M409-P445 HydrophobicContact CG-CG 4.26Å; V443-P445 VanDerWaalsContact O-CD 3.23Å; V443-P445 WeakPolarHBondContact O-CD 3.43Å; P445-S447 VanDerWaalsContact C-N 3.32Å; P445-V448 PolarHBondContact O-N 3.06Å
446	F	91.9	Very high	90.9	Very high	25 Å²	25	27.9 Å²	27.9	11%	0.11	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-75.5	-22.2	-178.2	-160.1	-84.8	0	0	0	113.2	Y248 V256 V331 P334 I339 L347 D444 V448	Y248-F446 HydrophobicContact CD1-CB 4.4Å; Y248-F446 HydrophobicContact CD1-CD2 4.19Å; Y248-F446 HydrophobicContact CE1-CB 3.87Å; Y248-F446 HydrophobicContact CE1-CD2 4.26Å; Y248-F446 HydrophobicContact CE1-CG 4.29Å; Y248-F446 HydrophobicContact CE2-CB 4.09Å; V256-F446 HydrophobicContact CB-CE2 4.07Å; V256-F446 HydrophobicContact CG1-CD2 4.11Å; V256-F446 HydrophobicContact CG1-CE2 3.8Å; V331-F446 HydrophobicContact CB-CD1 4.41Å; V331-F446 HydrophobicContact CB-CD2 4.42Å; V331-F446 HydrophobicContact CB-CE1 4.04Å; V331-F446 HydrophobicContact CB-CE2 4.06Å; V331-F446 HydrophobicContact CB-CZ 3.85Å; V331-F446 HydrophobicContact CG1-CB 4.48Å; V331-F446 HydrophobicContact CG1-CD1 3.26Å; V331-F446 HydrophobicContact CG1-CD2 3.91Å; V331-F446 HydrophobicContact CG1-CE1 3.21Å; V331-F446 HydrophobicContact CG1-CE2 3.87Å; V331-F446 HydrophobicContact CG1-CG 3.62Å; V331-F446 HydrophobicContact CG1-CZ 3.52Å; V331-F446 HydrophobicContact CG2-CD2 4.33Å; V331-F446 HydrophobicContact CG2-CE2 4.24Å; P334-F446 HydrophobicContact CB-CZ 3.77Å; I339-F446 HydrophobicContact CD1-CE2 3.55Å; I339-F446 HydrophobicContact CD1-CZ 3.69Å; I339-F446 HydrophobicContact CG1-CE2 4.4Å; L347-F446 HydrophobicContact CD2-CB 4Å; L347-F446 HydrophobicContact CD2-CD2 3.7Å; L347-F446 HydrophobicContact CD2-CG 4.29Å; D444-F446 PolarHBondContact O-N 2.71Å; D444-F446 VanDerWaalsContact O-N 3.09Å; D444-F446 PolarHBondContact OD1-N 2.97Å; F446-V448 VanDerWaalsContact C-N 3.34Å
447	S	91.2	Very high	91	Very high	29 Å²	29	26.8 Å²	26.8	20%	0.203	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-84.1	-8.9	177.9	75.8	0	0	0	0	113.7	D444 P445 T449	D444-S447 WeakPolarHBondContact O-CB 3.36Å; D444-S447 PolarHBondContact O-N 3.44Å; D444-S447 PolarHBondContact O-OG 3.23Å; D444-S447 PolarHBondContact OD2-N 3.29Å; P445-S447 VanDerWaalsContact C-N 3.32Å; S447-T449 PolarHBondContact O-N 3.04Å
448	V	93.6	Very high	91.3	Very high	8 Å²	8	25.9 Å²	25.9	5%	0.048	16%	0.161	C	C	.	.			trans	-67.7	130.2	-178.6	175	0	0	0	0	110.6	I349 V407 M409 V443 P445 F446 V459 A461	I349-V448 HydrophobicContact CB-CG1 4.43Å; I349-V448 HydrophobicContact CG1-CB 3.94Å; I349-V448 HydrophobicContact CG1-CG1 4.1Å; V407-V448 HydrophobicContact CG1-CG1 4.08Å; M409-V448 HydrophobicContact CG-CG2 4.3Å; V443-V448 HydrophobicContact CG2-CG2 3.89Å; P445-V448 PolarHBondContact O-N 3.06Å; F446-V448 VanDerWaalsContact C-N 3.34Å; V448-V459 HydrophobicContact CG1-CG1 3.74Å; V448-A461 HydrophobicContact CB-CB 4.45Å; V448-A461 HydrophobicContact CG2-CB 3.87Å
449	T	94	Very high	91.5	Very high	49 Å²	49	22.3 Å²	22.3	30%	0.301	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.7	172.7	61.8	0	0	0	0	109.7	S447 V459 E460	S447-T449 PolarHBondContact O-N 3.04Å; T449-V459 WeakPolarHBondContact O-CA 3.46Å; T449-E460 PolarHBondContact N-O 3.07Å; T449-E460 PolarHBondContact O-N 3.41Å; T449-E460 PolarHBondContact OG1-O 3.27Å
450	A	96.4	Very high	92	Very high	6 Å²	6	22.7 Å²	22.7	5%	0.05	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.7	-177.5	0	0	0	0	0	111.7	I349 P351 R352 V407 L457 V458 V459	I349-A450 HydrophobicContact CG2-CB 4.17Å; P351-A450 WeakPolarHBondContact CA-O 3.18Å; P351-A450 HydrophobicContact CB-CB 4.02Å; P351-A450 HydrophobicContact CG-CB 4.03Å; R352-A450 PolarHBondContact N-O 3.26Å; V407-A450 HydrophobicContact CG2-CB 3.85Å; A450-L457 HydrophobicContact CB-CD1 4.23Å; A450-V458 CarbonylContact C-O 3.52Å; A450-V458 VanDerWaalsContact CA-O 3.29Å; A450-V458 WeakPolarHBondContact CA-O 3.28Å; A450-V459 HydrophobicContact CB-CG2 4.34Å
451	Q	95.8	Very high	92.7	Very high	3 Å²	3	19 Å²	19	1%	0.014	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.7	178.9	-64.1	-176.5	8.3	0	0	110.8	R352 I357 V368 L370 I453 L457 V458	R352-Q451 HydrophobicContact CB-CG 4.47Å; I357-Q451 HydrophobicContact CD1-CB 4.31Å; I357-Q451 HydrophobicContact CD1-CG 4.13Å; V368-Q451 PolarHBondContact O-NE2 3.01Å; L370-Q451 HydrophobicContact CB-CB 4.37Å; L370-Q451 HydrophobicContact CB-CG 4.33Å; L370-Q451 HydrophobicContact CD1-CB 4.08Å; L370-Q451 HydrophobicContact CD1-CG 3.85Å; L370-Q451 HydrophobicContact CG-CB 4.39Å; L370-Q451 HydrophobicContact CG-CG 3.94Å; Q451-I453 HydrophobicContact CB-CD1 4.5Å; Q451-I453 HydrophobicContact CB-CG1 4.25Å; Q451-L457 WeakPolarHBondContact O-CA 3.45Å; Q451-V458 PolarHBondContact N-O 2.84Å; Q451-V458 PolarHBondContact O-N 3Å
452	L	96.1	Very high	93.1	Very high	18 Å²	18	20.1 Å²	20.1	9%	0.094	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	110.1	171.3	-175.5	65.3	0	0	0	109	R352 V396 A402 L405 L457	R352-L452 PolarHBondContact O-N 3.21Å; V396-L452 HydrophobicContact CB-CD1 4.48Å; A402-L452 HydrophobicContact CB-CB 4.1Å; A402-L452 HydrophobicContact CB-CD2 4.15Å; L405-L452 HydrophobicContact CD1-CD1 4.24Å; L405-L452 HydrophobicContact CD1-CD2 4.13Å; L452-L457 HydrophobicContact CD1-CB 4.28Å
453	I	94.1	Very high	93.1	Very high	43 Å²	43	20.2 Å²	20.2	22%	0.221	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	107.1	-178.1	-54.3	173.7	0	0	0	107.8	L370 V372 Q451 T455 T456 V458	L370-I453 VanDerWaalsContact O-CD1 3.25Å; L370-I453 WeakPolarHBondContact O-CD1 3.48Å; V372-I453 HydrophobicContact CG2-CB 4.21Å; V372-I453 HydrophobicContact CG2-CD1 4.13Å; V372-I453 HydrophobicContact CG2-CG2 4.26Å; Q451-I453 HydrophobicContact CB-CD1 4.5Å; Q451-I453 HydrophobicContact CB-CG1 4.25Å; I453-T455 PolarHBondContact O-N 3.24Å; I453-T455 VanDerWaalsContact O-N 3.13Å; I453-T456 PolarHBondContact N-O 2.98Å; I453-T456 PolarHBondContact O-N 3.35Å; I453-V458 HydrophobicContact CD1-CG2 4.09Å
454	G	93	Very high	92.2	Very high	57 Å²	57	22 Å²	22	59%	0.588	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	-115.2	-166.6	0	0	0	0	0	111.1
455	T	94.1	Very high	90.5	Very high	65 Å²	65	24.9 Å²	24.9	40%	0.399	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	5.9	176.5	58	0	0	0	0	112.9	V396 P398 I453	V396-T455 PolarHBondContact N-O 2.75Å; P398-T455 HydrophobicContact CB-CG2 4.31Å; P398-T455 HydrophobicContact CG-CG2 3.83Å; I453-T455 PolarHBondContact O-N 3.24Å; I453-T455 VanDerWaalsContact O-N 3.13Å
456	T	95.6	Very high	88.1	Confident	24 Å²	24	27.3 Å²	27.3	15%	0.147	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.4	-176	-56.3	0	0	0	0	109.5	V372 E393 I453 V458	V372-T456 HydrophobicContact CG1-CG2 4.34Å; V372-T456 HydrophobicContact CG2-CG2 4.29Å; E393-T456 HydrophobicContact CB-CG2 3.94Å; E393-T456 HydrophobicContact CG-CG2 4.32Å; I453-T456 PolarHBondContact N-O 2.98Å; I453-T456 PolarHBondContact O-N 3.35Å; T456-V458 HydrophobicContact CG2-CG2 4.17Å
457	L	97	Very high	85.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	115.9	167.5	174.4	61.5	0	0	0	108.7	P351 E393 V394 V396 V407 I416 A450 Q451 L452 V459	P351-L457 HydrophobicContact CB-CD1 3.68Å; P351-L457 HydrophobicContact CG-CD1 3.43Å; P351-L457 VanDerWaalsContact CG-CD1 3.43Å; E393-L457 CarbonylContact C-O 3.49Å; E393-L457 WeakPolarHBondContact CA-O 3.36Å; V394-L457 HydrophobicContact CB-CB 4.44Å; V394-L457 PolarHBondContact N-O 2.85Å; V394-L457 PolarHBondContact O-N 3.05Å; V396-L457 HydrophobicContact CG2-CB 3.7Å; V396-L457 HydrophobicContact CG2-CD2 4.4Å; V407-L457 HydrophobicContact CG2-CD2 4.02Å; I416-L457 HydrophobicContact CD1-CD2 3.9Å; I416-L457 HydrophobicContact CG1-CD2 4.08Å; I416-L457 HydrophobicContact CG2-CD2 3.66Å; A450-L457 HydrophobicContact CB-CD1 4.23Å; Q451-L457 WeakPolarHBondContact O-CA 3.45Å; L452-L457 HydrophobicContact CD1-CB 4.28Å; L457-V459 HydrophobicContact CD1-CG2 4.41Å; L457-V459 HydrophobicContact CD2-CG2 4.35Å; L457-V459 HydrophobicContact CG-CG2 4.04Å
458	V	96.7	Very high	85.1	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.6	174	-170.9	0	0	0	0	108.6	L370 V372 H391 L392 E393 A450 Q451 I453 T456	L370-V458 HydrophobicContact CB-CB 4.15Å; L370-V458 HydrophobicContact CB-CG1 3.9Å; L370-V458 HydrophobicContact CD1-CB 4.17Å; L370-V458 HydrophobicContact CD1-CG1 4.07Å; L370-V458 WeakPolarHBondContact CD1-O 3.45Å; V372-V458 HydrophobicContact CG2-CG2 3.81Å; H391-V458 VanDerWaalsContact CE1-CG1 3.47Å; H391-V458 WeakPolarHBondContact CE1-CG1 3.44Å; L392-V458 CarbonylContact O-C 3.56Å; L392-V458 WeakPolarHBondContact O-CA 3.4Å; E393-V458 HydrophobicContact CG-CG2 4.4Å; A450-V458 CarbonylContact C-O 3.52Å; A450-V458 VanDerWaalsContact CA-O 3.29Å; A450-V458 WeakPolarHBondContact CA-O 3.28Å; Q451-V458 PolarHBondContact N-O 2.84Å; Q451-V458 PolarHBondContact O-N 3Å; I453-V458 HydrophobicContact CD1-CG2 4.09Å; T456-V458 HydrophobicContact CG2-CG2 4.17Å
459	V	96	Very high	84.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.8	178.1	-177	0	0	0	0	109	H391 L392 V407 I414 I416 V448 T449 A450 L457	H391-V459 CarbonylContact C-O 3.5Å; H391-V459 WeakPolarHBondContact CA-O 3.26Å; L392-V459 HydrophobicContact CB-CB 4.29Å; L392-V459 PolarHBondContact N-O 3.09Å; L392-V459 PolarHBondContact O-N 3.09Å; V407-V459 HydrophobicContact CG1-CG1 3.86Å; V407-V459 HydrophobicContact CG1-CG2 4.02Å; V407-V459 HydrophobicContact CG2-CG2 3.9Å; I414-V459 HydrophobicContact CD1-CG1 4.15Å; I416-V459 HydrophobicContact CD1-CG2 4.5Å; V448-V459 HydrophobicContact CG1-CG1 3.74Å; T449-V459 WeakPolarHBondContact O-CA 3.46Å; A450-V459 HydrophobicContact CB-CG2 4.34Å; L457-V459 HydrophobicContact CD1-CG2 4.41Å; L457-V459 HydrophobicContact CD2-CG2 4.35Å; L457-V459 HydrophobicContact CG-CG2 4.04Å
460	E	94.4	Very high	84.1	Confident	17 Å²	17	35.7 Å²	35.7	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.9	172.7	-66.3	-166.2	159.5	0	0	112	L370 K389 L390 H391 T449	L370-E460 HydrophobicContact CD1-CG 4.43Å; L370-E460 HydrophobicContact CD2-CB 4.06Å; L370-E460 HydrophobicContact CD2-CG 3.89Å; L370-E460 WeakPolarHBondContact CD2-OE2 3.38Å; K389-E460 WeakPolarHBondContact CE-OE1 3.37Å; K389-E460 WeakPolarHBondContact CE-OE2 3.39Å; K389-E460 IonicContact NZ-OE1 2.72Å; K389-E460 PolarHBondContact NZ-OE1 3.48Å; K389-E460 IonicContact NZ-OE2 3.27Å; K389-E460 PolarHBondContact NZ-OE2 3.03Å; L390-E460 WeakPolarHBondContact O-CA 3.34Å; H391-E460 HydrophobicContact CB-CG 4.38Å; H391-E460 IonicContact CE1-OE1 2.6Å; H391-E460 IonicContact CG-OE1 3.97Å; H391-E460 WeakPolarHBondContact ND1-CG 3.31Å; H391-E460 IonicContact ND1-OE1 2.82Å; H391-E460 PolarHBondContact ND1-OE1 3.09Å; T449-E460 PolarHBondContact N-O 3.07Å; T449-E460 PolarHBondContact O-N 3.41Å; T449-E460 PolarHBondContact OG1-O 3.27Å
461	A	92	Very high	83.4	Confident	2 Å²	2	37.4 Å²	37.4	2%	0.017	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	134.4	174.5	0	0	0	0	0	111	K389 L390 V443 V448 L463	K389-A461 CarbonylContact C-O 3.45Å; K389-A461 VanDerWaalsContact CA-O 3.29Å; K389-A461 WeakPolarHBondContact CA-O 3.1Å; K389-A461 WeakPolarHBondContact CB-O 3.39Å; L390-A461 PolarHBondContact N-O 3.01Å; L390-A461 PolarHBondContact O-N 2.63Å; L390-A461 VanDerWaalsContact O-N 3.12Å; V443-A461 HydrophobicContact CB-CB 3.84Å; V443-A461 HydrophobicContact CG1-CB 3.98Å; V443-A461 HydrophobicContact CG2-CB 3.74Å; V448-A461 HydrophobicContact CB-CB 4.45Å; V448-A461 HydrophobicContact CG2-CB 3.87Å; A461-L463 PolarHBondContact O-N 2.83Å
462	P	88.7	Confident	82.6	Confident	59 Å²	59	39.6 Å²	39.6	38%	0.383	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	136.7	169.5	-21.2	32.7	0	0	0	110.9
463	L	82.1	Confident	81.7	Confident	10 Å²	10	41 Å²	41	5%	0.052	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-74.4	145.1	170.1	-61.8	-173.1	0	0	0	109.9	I380 R388 L390 E441 V443 A461	I380-L463 HydrophobicContact CD1-CD1 3.83Å; I380-L463 HydrophobicContact CD1-CD2 4.12Å; I380-L463 HydrophobicContact CD1-CG 4.39Å; I380-L463 HydrophobicContact CG1-CD1 4.24Å; I380-L463 HydrophobicContact CG2-CD1 3.77Å; R388-L463 HydrophobicContact CB-CB 4.36Å; R388-L463 HydrophobicContact CB-CD1 3.83Å; R388-L463 HydrophobicContact CB-CG 4.22Å; R388-L463 PolarHBondContact O-N 3.33Å; L390-L463 HydrophobicContact CB-CD2 4.03Å; E441-L463 HydrophobicContact CB-CD2 4.48Å; V443-L463 HydrophobicContact CG1-CD2 3.63Å; A461-L463 PolarHBondContact O-N 2.83Å
464	L	69.4	Low	80.8	Confident	37 Å²	37	40.9 Å²	40.9	19%	0.194	27%	0.267	C	S	.	.	S	Bend	trans	-75.1	-40.7	-177.1	-73.5	168.5	0	0	0	111.3	L244 P307 E441 D444 T466	L244-L464 HydrophobicContact CD1-CD1 3.68Å; P307-L464 HydrophobicContact CB-CD2 4.4Å; E441-L464 PolarHBondContact OE1-N 3.16Å; D444-L464 HydrophobicContact CB-CD1 4.4Å; D444-L464 HydrophobicContact CB-CD2 4.08Å; D444-L464 HydrophobicContact CB-CG 4.46Å; L464-T466 PolarHBondContact O-N 3.47Å
465	C	55.8	Low	79.9	Confident	63 Å²	63	39.6 Å²	39.6	43%	0.426	24%	0.242	S	C	.	.			trans	-87.2	106	175.7	-62.5	0	0	0	0	111	R388 E441 V467	R388-C465 PolarHBondContact NH2-O 3.46Å; E441-C465 VanDerWaalsContact OE1-CB 3.29Å; E441-C465 WeakPolarHBondContact OE1-CB 3.49Å; E441-C465 PolarHBondContact OE1-N 2.76Å; C465-V467 PolarHBondContact O-N 3.07Å
466	T	42.8	Very low	78.7	Confident	59 Å²	59	37.5 Å²	37.5	36%	0.362	23%	0.229	S	C	.	.			trans	-81	104.6	154.7	49.1	0	0	0	0	106.8	R308 N386 L464	R308-T466 PolarHBondContact NH2-OG1 3.28Å; N386-T466 VanDerWaalsContact O-CG2 3.24Å; N386-T466 WeakPolarHBondContact O-CG2 3.21Å; L464-T466 PolarHBondContact O-N 3.47Å
467	V	33.8	Very low	77.1	Confident	179 Å²	179	38.7 Å²	38.7	100%	1.085	24%	0.236	S	C	*	.			trans	-58	0	172.9	-162.8	0	0	0	0	110.2	C465	C465-V467 PolarHBondContact O-N 3.07Å

Retrieved 467 of 467 residues in 83.6 ms (Link to these results)

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