G4VBX5_SCHMA Loading...

Putative dreadlocks/dock

AlphaFold DB , UniProt , Accession G4VBX5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 692 aa.

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(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	31	Very low	58.9	Low	247 Å²	247	116.8 Å²	116.8	100%	1.217	60%	0.597	S	S	*	*				0	117.7	0	-69.3	174	177.6	0	0	108
2	M	32.2	Very low	61.9	Low	178 Å²	178	107.4 Å²	107.4	88%	0.877	55%	0.549	S	S	*	.			trans	-131.5	112.7	179.4	-76	175.4	172.7	0	0	109.2
3	S	31.8	Very low	64.1	Low	122 Å²	122	105.4 Å²	105.4	85%	0.853	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-64.1	133	177.4	-167	0	0	0	0	110	K5	S3-K5 PolarHBondContact O-N 3.21Å
4	H	34.6	Very low	66.1	Low	180 Å²	180	105.1 Å²	105.1	83%	0.833	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-69.1	116.5	-175.4	-64.7	-14.7	0	0	0	110.7	N6	H4-N6 PolarHBondContact O-N 3.48Å
5	K	41.5	Very low	67.9	Low	190 Å²	190	104.9 Å²	104.9	83%	0.826	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-63.7	131.9	168.4	-64.2	-176.1	179.6	-176.7	0	108.4	S3 T7	S3-K5 PolarHBondContact O-N 3.21Å; K5-T7 PolarHBondContact O-N 3.07Å
6	N	50.9	Low	69.5	Low	113 Å²	113	100.4 Å²	100.4	60%	0.604	50%	0.504	S	S	*	.			trans	-71.1	98.5	176.1	-162.4	43.8	0	0	0	108.6	H4 Q64	H4-N6 PolarHBondContact O-N 3.48Å; N6-Q64 PolarHBondContact ND2-OE1 2.97Å; N6-Q64 PolarHBondContact OD1-NE2 3.24Å; N6-Q64 PolarHBondContact OD1-OE1 3.26Å
7	T	65.5	Low	70.9	Confident	71 Å²	71	104.7 Å²	104.7	44%	0.436	52%	0.522	S	S	.	.			trans	-80.2	117.6	175.7	40.9	0	0	0	0	109.8	K5 F9 T33	K5-T7 PolarHBondContact O-N 3.07Å; T7-F9 VanDerWaalsContact O-CD2 3.3Å; T7-F9 WeakPolarHBondContact O-CD2 3.42Å; T7-F9 VanDerWaalsContact O-CE2 3.3Å; T7-F9 WeakPolarHBondContact O-CE2 3.33Å; T7-T33 HydrophobicContact CG2-CG2 4.47Å
8	D	84.4	Confident	72.1	Confident	73 Å²	73	101.3 Å²	101.3	39%	0.39	51%	0.513	S	S	.	.			trans	-71.9	145.9	172.2	-83.9	-6.8	0	0	0	110.7	L34 R61	D8-L34 HydrophobicContact CB-CB 4.17Å; D8-L34 HydrophobicContact CB-CD2 4.35Å; D8-L34 PolarHBondContact O-N 2.82Å; D8-R61 IonicContact OD2-NH1 3.65Å
9	F	90.4	Very high	72.8	Confident	54 Å²	54	101.6 Å²	101.6	24%	0.237	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.6	-179.8	-63.5	-74.7	0	0	0	110.3	T7 K31 L32 T33 S62	T7-F9 VanDerWaalsContact O-CD2 3.3Å; T7-F9 WeakPolarHBondContact O-CD2 3.42Å; T7-F9 VanDerWaalsContact O-CE2 3.3Å; T7-F9 WeakPolarHBondContact O-CE2 3.33Å; F9-K31 HydrophobicContact CB-CG 4.36Å; F9-K31 HydrophobicContact CD1-CD 4.39Å; F9-K31 HydrophobicContact CD1-CG 4.3Å; F9-K31 HydrophobicContact CG-CD 4.49Å; F9-L32 CarbonylContact C-O 3.55Å; F9-L32 VanDerWaalsContact CA-O 3.31Å; F9-L32 WeakPolarHBondContact CA-O 3.41Å; F9-T33 HydrophobicContact CE1-CG2 4.45Å; F9-S62 VanDerWaalsContact O-CB 3.25Å; F9-S62 WeakPolarHBondContact O-CB 3.45Å; F9-S62 PolarHBondContact O-N 2.57Å
10	V	93	Very high	73.6	Confident	0 Å²	0	100.4 Å²	100.4	0%	0	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	150.4	168.2	-61.3	0	0	0	0	110.3	K31 L32 L34 W42 V44 V59 K60 R61	V10-K31 WeakPolarHBondContact O-CA 3.3Å; V10-L32 HydrophobicContact CG2-CB 3.84Å; V10-L32 HydrophobicContact CG2-CD1 4.36Å; V10-L32 PolarHBondContact N-O 2.93Å; V10-L32 PolarHBondContact O-N 2.91Å; V10-L34 HydrophobicContact CG1-CB 4.27Å; V10-L34 HydrophobicContact CG1-CD1 3.99Å; V10-L34 HydrophobicContact CG1-CD2 4.04Å; V10-L34 HydrophobicContact CG1-CG 4.34Å; V10-W42 HydrophobicContact CG1-CE3 3.93Å; V10-W42 HydrophobicContact CG1-CZ3 3.78Å; V10-V44 HydrophobicContact CG2-CG1 3.89Å; V10-V59 HydrophobicContact CB-CB 4.09Å; V10-V59 HydrophobicContact CB-CG1 4.48Å; V10-V59 HydrophobicContact CG2-CB 4.07Å; V10-V59 HydrophobicContact CG2-CG1 3.98Å; V10-K60 CarbonylContact C-O 3.45Å; V10-K60 VanDerWaalsContact CA-O 3.29Å; V10-K60 WeakPolarHBondContact CA-O 3.35Å; V10-R61 HydrophobicContact CG1-CG 4.43Å
11	I	93.2	Very high	74.3	Confident	57 Å²	57	100.1 Å²	100.1	29%	0.292	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.5	173.7	-52.6	-59	0	0	0	107.7	E30 K31 V59 K60	I11-E30 WeakPolarHBondContact CA-O 3.43Å; I11-K31 HydrophobicContact CD1-CB 3.86Å; I11-K31 HydrophobicContact CD1-CD 4.4Å; I11-K31 HydrophobicContact CD1-CG 3.83Å; I11-V59 CarbonylContact O-C 3.59Å; I11-V59 WeakPolarHBondContact O-CA 3.33Å; I11-K60 PolarHBondContact N-O 2.96Å; I11-K60 PolarHBondContact O-N 2.91Å
12	V	94.6	Very high	77.1	Confident	4 Å²	4	94.2 Å²	94.2	2%	0.024	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128	179.2	179.7	0	0	0	0	110.2	F14 I26 Q27 G29 E30 L32 Y58 V59	V12-F14 WeakPolarHBondContact CG1-O 3.5Å; V12-I26 HydrophobicContact CG1-CB 4.21Å; V12-I26 HydrophobicContact CG1-CD1 3.81Å; V12-I26 HydrophobicContact CG1-CG1 4.07Å; V12-I26 HydrophobicContact CG2-CB 3.94Å; V12-I26 HydrophobicContact CG2-CD1 4Å; V12-I26 HydrophobicContact CG2-CG1 4.41Å; V12-I26 HydrophobicContact CG2-CG2 4.42Å; V12-Q27 WeakPolarHBondContact CB-O 3.18Å; V12-Q27 VanDerWaalsContact CG1-O 3.26Å; V12-Q27 WeakPolarHBondContact CG1-O 3.24Å; V12-G29 PolarHBondContact O-N 2.96Å; V12-E30 HydrophobicContact CB-CB 4.4Å; V12-E30 HydrophobicContact CG2-CB 4.02Å; V12-E30 WeakPolarHBondContact CG2-O 3.45Å; V12-E30 PolarHBondContact N-O 3.29Å; V12-L32 HydrophobicContact CG2-CD1 3.62Å; V12-L32 HydrophobicContact CG2-CG 4Å; V12-Y58 CarbonylContact C-O 3.54Å; V12-V59 HydrophobicContact CG2-CG1 4.03Å
13	K	90.7	Very high	80.1	Confident	81 Å²	81	87 Å²	87	35%	0.352	46%	0.46	S	S	.	.	S	Bend	trans	-86.6	-35	-178.9	-65.9	166.5	58.1	-165.8	0	112.8	K28 N57 Y58 V59 K60	K13-K28 WeakPolarHBondContact O-CD 3.26Å; K13-K28 WeakPolarHBondContact O-CE 3.31Å; K13-K28 WeakPolarHBondContact O-CG 3.19Å; K13-N57 WeakPolarHBondContact CD-O 3.01Å; K13-N57 WeakPolarHBondContact CE-O 3.25Å; K13-N57 PolarHBondContact NZ-O 3.48Å; K13-Y58 WeakPolarHBondContact CB-O 3.31Å; K13-Y58 PolarHBondContact N-O 3.36Å; K13-V59 WeakPolarHBondContact CD-O 3.29Å; K13-K60 HydrophobicContact CD-CB 4.1Å; K13-K60 HydrophobicContact CG-CB 3.99Å
14	F	91.2	Very high	83	Confident	101 Å²	101	81.2 Å²	81.2	44%	0.443	42%	0.419	S	S	.	.	S	Bend	trans	-144.7	149.8	-174.1	-45.3	-68.1	0	0	0	109.4	V12 Y58	V12-F14 WeakPolarHBondContact CG1-O 3.5Å; F14-Y58 HydrophobicContact CB-CD1 3.68Å; F14-Y58 HydrophobicContact CB-CE1 3.96Å; F14-Y58 HydrophobicContact CB-CG 4.47Å; F14-Y58 HydrophobicContact CD2-CD1 4.27Å; F14-Y58 HydrophobicContact CD2-CG 4.31Å; F14-Y58 HydrophobicContact CG-CD1 4.49Å
15	D	93.7	Very high	85.8	Confident	102 Å²	102	74.4 Å²	74.4	55%	0.545	40%	0.397	S	S	.	.			trans	-65.6	143.4	174	-50.1	-68	0	0	0	110.6	I26 Q27 K28 Y58	D15-I26 WeakPolarHBondContact CA-O 3.21Å; D15-Q27 WeakPolarHBondContact OD1-CA 3.13Å; D15-K28 WeakPolarHBondContact OD1-CB 3.41Å; D15-K28 PolarHBondContact OD1-N 3.29Å; D15-Y58 VanDerWaalsContact O-CE1 3.32Å; D15-Y58 WeakPolarHBondContact O-CE1 3.37Å
16	Y	93.2	Very high	88.4	Confident	34 Å²	34	65.6 Å²	65.6	13%	0.133	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-146.7	132.1	178.1	170.3	-99.7	0	0	0	110.8	E23 G25 I26 W41 P55 Y58	Y16-E23 PolarHBondContact OH-OE2 3.48Å; Y16-G25 CarbonylContact O-C 3.43Å; Y16-G25 VanDerWaalsContact O-CA 3.27Å; Y16-G25 WeakPolarHBondContact O-CA 3.23Å; Y16-I26 HydrophobicContact CD1-CG1 4.18Å; Y16-I26 HydrophobicContact CG-CG1 4.44Å; Y16-I26 PolarHBondContact N-O 3.34Å; Y16-I26 PolarHBondContact O-N 3.42Å; Y16-W41 HydrophobicContact CE1-CZ3 4.35Å; Y16-W41 AromaticContact CZ-CZ3 3.97Å; Y16-W41 WeakPolarHBondContact OH-CH2 3.33Å; Y16-W41 VanDerWaalsContact OH-CZ3 3.25Å; Y16-W41 WeakPolarHBondContact OH-CZ3 3.38Å; Y16-P55 HydrophobicContact CD2-CG 4.15Å; Y16-P55 HydrophobicContact CE1-CG 4.37Å; Y16-P55 HydrophobicContact CE2-CG 3.86Å; Y16-Y58 HydrophobicContact CD2-CD1 4.46Å; Y16-Y58 HydrophobicContact CD2-CE1 4.21Å; Y16-Y58 HydrophobicContact CG-CD1 4.38Å; Y16-Y58 HydrophobicContact CG-CE1 4.5Å
17	E	94.2	Very high	90.4	Very high	173 Å²	173	67 Å²	67	81%	0.808	36%	0.362	S	S	*	.			trans	-98	128.9	177	-63	-174.6	165.9	0	0	109.8	S19	E17-S19 PolarHBondContact O-N 3.15Å
18	A	92.5	Very high	91.6	Very high	43 Å²	43	70.1 Å²	70.1	36%	0.355	37%	0.37	S	S	.	.			trans	-64.7	121.4	175.7	0	0	0	0	0	110.3	E23	A18-E23 HydrophobicContact CB-CB 3.76Å
19	S	85.6	Confident	91.9	Very high	107 Å²	107	69.1 Å²	69.1	75%	0.748	38%	0.377	S	S	*	.	S	Bend	trans	-86.3	-26.9	175.3	-58.5	0	0	0	0	112.3	E17 E23	E17-S19 PolarHBondContact O-N 3.15Å; S19-E23 WeakPolarHBondContact CA-OE2 3.46Å; S19-E23 WeakPolarHBondContact CB-OE2 3.35Å; S19-E23 PolarHBondContact N-OE2 2.76Å
20	D	87.1	Confident	92	Very high	78 Å²	78	68.7 Å²	68.7	42%	0.417	38%	0.375	S	S	.	.	S	Bend	trans	-127.1	157.3	174	-176.3	27.3	0	0	0	112.9	H22 E23	D20-H22 PolarHBondContact O-N 3.11Å; D20-H22 VanDerWaalsContact O-N 3.15Å; D20-H22 IonicContact OD1-ND1 3.97Å; D20-H22 IonicContact OD2-CE1 3.96Å; D20-H22 IonicContact OD2-CG 2.57Å; D20-H22 IonicContact OD2-ND1 3.69Å; D20-H22 PolarHBondContact OD2-ND1 3.49Å; D20-E23 HydrophobicContact CB-CG 4.34Å; D20-E23 PolarHBondContact N-OE2 3.39Å; D20-E23 WeakPolarHBondContact O-CB 3.26Å; D20-E23 PolarHBondContact O-N 3.32Å
21	S	89	Confident	92	Very high	94 Å²	94	73.9 Å²	73.9	66%	0.657	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-29	173.7	58.3	0	0	0	0	115.8	E23	S21-E23 VanDerWaalsContact C-N 3.34Å
22	H	90.2	Very high	92	Very high	123 Å²	123	71.1 Å²	71.1	57%	0.569	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-12.9	177.5	-58.5	96.8	0	0	0	113.5	D20 G52 Y53	D20-H22 PolarHBondContact O-N 3.11Å; D20-H22 VanDerWaalsContact O-N 3.15Å; D20-H22 IonicContact OD1-ND1 3.97Å; D20-H22 IonicContact OD2-CE1 3.96Å; D20-H22 IonicContact OD2-CG 2.57Å; D20-H22 IonicContact OD2-ND1 3.69Å; D20-H22 PolarHBondContact OD2-ND1 3.49Å; H22-G52 CarbonylContact O-C 3.58Å; H22-G52 VanDerWaalsContact O-CA 3.26Å; H22-G52 WeakPolarHBondContact O-CA 3.27Å; H22-Y53 HydrophobicContact CB-CD2 4.34Å; H22-Y53 WeakPolarHBondContact O-CD2 3.4Å; H22-Y53 PolarHBondContact O-N 2.92Å
23	E	94.1	Very high	91.9	Very high	27 Å²	27	72.4 Å²	72.4	13%	0.126	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-94.7	157.6	-172.7	-58.5	170.4	170.4	0	0	111.7	Y16 A18 S19 D20 S21 W41 Y53	Y16-E23 PolarHBondContact OH-OE2 3.48Å; A18-E23 HydrophobicContact CB-CB 3.76Å; S19-E23 WeakPolarHBondContact CA-OE2 3.46Å; S19-E23 WeakPolarHBondContact CB-OE2 3.35Å; S19-E23 PolarHBondContact N-OE2 2.76Å; D20-E23 HydrophobicContact CB-CG 4.34Å; D20-E23 PolarHBondContact N-OE2 3.39Å; D20-E23 WeakPolarHBondContact O-CB 3.26Å; D20-E23 PolarHBondContact O-N 3.32Å; S21-E23 VanDerWaalsContact C-N 3.34Å; E23-W41 HydrophobicContact CG-CE3 4.43Å; E23-W41 HydrophobicContact CG-CH2 4.37Å; E23-W41 HydrophobicContact CG-CZ3 3.71Å; E23-W41 WeakPolarHBondContact OE1-CH2 3.13Å; E23-W41 WeakPolarHBondContact OE1-CZ3 3.32Å; E23-Y53 CarbonylContact C-O 3.56Å; E23-Y53 VanDerWaalsContact CA-O 3.27Å; E23-Y53 WeakPolarHBondContact CA-O 3.39Å
24	L	93.4	Very high	92.1	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	38%	0.38	C	S	.	.			trans	-110.1	117.6	176.1	-164.4	65.5	0	0	0	109.9	I26 L32 V44 N46 K50 Y53 V54	L24-I26 HydrophobicContact CB-CG2 4.34Å; L24-I26 HydrophobicContact CD2-CG2 4.14Å; L24-I26 HydrophobicContact CG-CG2 4.06Å; L24-I26 PolarHBondContact O-N 3.06Å; L24-L32 HydrophobicContact CD2-CD2 4.44Å; L24-V44 HydrophobicContact CD2-CG2 3.86Å; L24-N46 HydrophobicContact CD2-CB 4.16Å; L24-K50 HydrophobicContact CD1-CB 4.03Å; L24-K50 HydrophobicContact CD1-CD 3.6Å; L24-K50 HydrophobicContact CD1-CG 3.7Å; L24-Y53 PolarHBondContact N-O 3.07Å; L24-V54 HydrophobicContact CB-CG1 3.78Å; L24-V54 WeakPolarHBondContact O-CG1 3.35Å
25	G	93.8	Very high	92	Very high	36 Å²	36	68.7 Å²	68.7	37%	0.371	38%	0.379	S	S	.	.			trans	-66	131.4	165.7	0	0	0	0	0	109.2	Y16	Y16-G25 CarbonylContact O-C 3.43Å; Y16-G25 VanDerWaalsContact O-CA 3.27Å; Y16-G25 WeakPolarHBondContact O-CA 3.23Å
26	I	95.3	Very high	91.7	Very high	5 Å²	5	66.5 Å²	66.5	3%	0.026	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-137.4	144.9	-170.1	53.4	171	0	0	0	111.1	V12 D15 Y16 L24 L32 V54 V59	V12-I26 HydrophobicContact CG1-CB 4.21Å; V12-I26 HydrophobicContact CG1-CD1 3.81Å; V12-I26 HydrophobicContact CG1-CG1 4.07Å; V12-I26 HydrophobicContact CG2-CB 3.94Å; V12-I26 HydrophobicContact CG2-CD1 4Å; V12-I26 HydrophobicContact CG2-CG1 4.41Å; V12-I26 HydrophobicContact CG2-CG2 4.42Å; D15-I26 WeakPolarHBondContact CA-O 3.21Å; Y16-I26 HydrophobicContact CD1-CG1 4.18Å; Y16-I26 HydrophobicContact CG-CG1 4.44Å; Y16-I26 PolarHBondContact N-O 3.34Å; Y16-I26 PolarHBondContact O-N 3.42Å; L24-I26 HydrophobicContact CB-CG2 4.34Å; L24-I26 HydrophobicContact CD2-CG2 4.14Å; L24-I26 HydrophobicContact CG-CG2 4.06Å; L24-I26 PolarHBondContact O-N 3.06Å; I26-L32 HydrophobicContact CB-CD1 4.46Å; I26-L32 HydrophobicContact CG2-CD1 3.6Å; I26-L32 HydrophobicContact CG2-CD2 4.32Å; I26-V54 HydrophobicContact CD1-CB 3.88Å; I26-V54 HydrophobicContact CD1-CG1 3.87Å; I26-V54 HydrophobicContact CD1-CG2 4.34Å; I26-V54 HydrophobicContact CG1-CG1 4.34Å; I26-V54 HydrophobicContact CG2-CG1 3.85Å; I26-V59 HydrophobicContact CD1-CG1 4.21Å
27	Q	93.5	Very high	91.5	Very high	142 Å²	142	67.9 Å²	67.9	66%	0.664	38%	0.377	S	S	*	.			trans	-110.7	144.3	-179.5	-66.3	-178.5	3	0	0	111.9	V12 D15 G29 E30	V12-Q27 WeakPolarHBondContact CB-O 3.18Å; V12-Q27 VanDerWaalsContact CG1-O 3.26Å; V12-Q27 WeakPolarHBondContact CG1-O 3.24Å; D15-Q27 WeakPolarHBondContact OD1-CA 3.13Å; Q27-G29 PolarHBondContact O-N 3.46Å; Q27-E30 PolarHBondContact N-OE2 2.67Å; Q27-E30 VanDerWaalsContact N-OE2 3.08Å; Q27-E30 WeakPolarHBondContact O-CB 3.08Å; Q27-E30 PolarHBondContact O-N 2.92Å
28	K	91.8	Very high	90.5	Very high	138 Å²	138	63.6 Å²	63.6	60%	0.6	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	126	-179.6	179.2	172.9	179.1	-176.4	0	111.9	K13 D15 E30	K13-K28 WeakPolarHBondContact O-CD 3.26Å; K13-K28 WeakPolarHBondContact O-CE 3.31Å; K13-K28 WeakPolarHBondContact O-CG 3.19Å; D15-K28 WeakPolarHBondContact OD1-CB 3.41Å; D15-K28 PolarHBondContact OD1-N 3.29Å; K28-E30 VanDerWaalsContact C-N 3.32Å
29	G	89.2	Confident	89.9	Confident	52 Å²	52	67.6 Å²	67.6	54%	0.536	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-8.7	-175.8	0	0	0	0	0	114.7	V12 Q27	V12-G29 PolarHBondContact O-N 2.96Å; Q27-G29 PolarHBondContact O-N 3.46Å
30	E	92.9	Very high	89.7	Confident	44 Å²	44	69.3 Å²	69.3	21%	0.206	37%	0.374	C	S	.	.			trans	-59.4	140.9	172.2	-170.6	179.9	180	0	0	110.5	I11 V12 Q27 K28 L32 N46	I11-E30 WeakPolarHBondContact CA-O 3.43Å; V12-E30 HydrophobicContact CB-CB 4.4Å; V12-E30 HydrophobicContact CG2-CB 4.02Å; V12-E30 WeakPolarHBondContact CG2-O 3.45Å; V12-E30 PolarHBondContact N-O 3.29Å; Q27-E30 PolarHBondContact N-OE2 2.67Å; Q27-E30 VanDerWaalsContact N-OE2 3.08Å; Q27-E30 WeakPolarHBondContact O-CB 3.08Å; Q27-E30 PolarHBondContact O-N 2.92Å; K28-E30 VanDerWaalsContact C-N 3.32Å; E30-L32 HydrophobicContact CG-CD2 3.79Å; E30-L32 WeakPolarHBondContact OE1-CD2 3.35Å; E30-N46 VanDerWaalsContact OE1-CB 3.27Å; E30-N46 WeakPolarHBondContact OE1-CB 3.14Å
31	K	92.9	Very high	89.9	Confident	109 Å²	109	70.4 Å²	70.4	47%	0.474	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.5	178.3	179.2	-177.7	173.9	-166.9	0	109.1	F9 V10 I11	F9-K31 HydrophobicContact CB-CG 4.36Å; F9-K31 HydrophobicContact CD1-CD 4.39Å; F9-K31 HydrophobicContact CD1-CG 4.3Å; F9-K31 HydrophobicContact CG-CD 4.49Å; V10-K31 WeakPolarHBondContact O-CA 3.3Å; I11-K31 HydrophobicContact CD1-CB 3.86Å; I11-K31 HydrophobicContact CD1-CD 4.4Å; I11-K31 HydrophobicContact CD1-CG 3.83Å
32	L	94.1	Very high	90.1	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.7	-179.4	-47.4	171.4	0	0	0	110	F9 V10 V12 L24 I26 E30 V44 M45 N46 V59	F9-L32 CarbonylContact C-O 3.55Å; F9-L32 VanDerWaalsContact CA-O 3.31Å; F9-L32 WeakPolarHBondContact CA-O 3.41Å; V10-L32 HydrophobicContact CG2-CB 3.84Å; V10-L32 HydrophobicContact CG2-CD1 4.36Å; V10-L32 PolarHBondContact N-O 2.93Å; V10-L32 PolarHBondContact O-N 2.91Å; V12-L32 HydrophobicContact CG2-CD1 3.62Å; V12-L32 HydrophobicContact CG2-CG 4Å; L24-L32 HydrophobicContact CD2-CD2 4.44Å; I26-L32 HydrophobicContact CB-CD1 4.46Å; I26-L32 HydrophobicContact CG2-CD1 3.6Å; I26-L32 HydrophobicContact CG2-CD2 4.32Å; E30-L32 HydrophobicContact CG-CD2 3.79Å; E30-L32 WeakPolarHBondContact OE1-CD2 3.35Å; L32-V44 HydrophobicContact CB-CB 4.01Å; L32-V44 HydrophobicContact CB-CG1 4.42Å; L32-V44 HydrophobicContact CD1-CB 3.98Å; L32-V44 HydrophobicContact CD1-CG1 4.36Å; L32-V44 HydrophobicContact CD1-CG2 3.77Å; L32-M45 CarbonylContact C-O 3.57Å; L32-M45 WeakPolarHBondContact CA-O 3.19Å; L32-N46 HydrophobicContact CD2-CB 3.75Å; L32-V59 HydrophobicContact CD1-CG1 4.37Å
33	T	92.5	Very high	90.3	Very high	30 Å²	30	64.9 Å²	64.9	18%	0.184	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.3	168.2	-48.9	0	0	0	0	108.2	T7 F9 V44 M45	T7-T33 HydrophobicContact CG2-CG2 4.47Å; F9-T33 HydrophobicContact CE1-CG2 4.45Å; T33-V44 CarbonylContact O-C 3.54Å; T33-V44 WeakPolarHBondContact O-CA 3.45Å; T33-M45 HydrophobicContact CG2-CE 4.45Å; T33-M45 PolarHBondContact N-O 3.04Å; T33-M45 PolarHBondContact O-N 2.85Å
34	L	93	Very high	90.4	Very high	20 Å²	20	63.6 Å²	63.6	11%	0.105	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	125	176.9	-168.7	57.9	0	0	0	109	D8 V10 D37 W42 V44	D8-L34 HydrophobicContact CB-CB 4.17Å; D8-L34 HydrophobicContact CB-CD2 4.35Å; D8-L34 PolarHBondContact O-N 2.82Å; V10-L34 HydrophobicContact CG1-CB 4.27Å; V10-L34 HydrophobicContact CG1-CD1 3.99Å; V10-L34 HydrophobicContact CG1-CD2 4.04Å; V10-L34 HydrophobicContact CG1-CG 4.34Å; L34-D37 HydrophobicContact CD1-CB 4.23Å; L34-D37 HydrophobicContact CD2-CB 4.12Å; L34-D37 HydrophobicContact CG-CB 4.4Å; L34-W42 HydrophobicContact CD1-CB 4.12Å; L34-W42 HydrophobicContact CD1-CD2 4.29Å; L34-W42 HydrophobicContact CD1-CE3 3.95Å; L34-W42 HydrophobicContact CD1-CG 4.39Å; L34-V44 HydrophobicContact CD1-CG1 3.98Å
35	I	89.7	Confident	90.4	Very high	85 Å²	85	66.5 Å²	66.5	44%	0.436	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-46	176.4	-66.4	171.7	0	0	0	110.3	K43 M45 T51	I35-K43 WeakPolarHBondContact CA-O 3.38Å; I35-K43 HydrophobicContact CB-CB 4.3Å; I35-K43 HydrophobicContact CB-CG 4.35Å; I35-K43 WeakPolarHBondContact CB-O 3.02Å; I35-K43 HydrophobicContact CG2-CD 4.15Å; I35-K43 HydrophobicContact CG2-CG 4.39Å; I35-K43 PolarHBondContact N-O 2.85Å; I35-M45 HydrophobicContact CD1-CB 3.76Å; I35-M45 HydrophobicContact CG1-CB 4.37Å; I35-T51 HydrophobicContact CD1-CG2 3.51Å
36	D	87.1	Confident	90.4	Very high	56 Å²	56	65.7 Å²	65.7	30%	0.299	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	130.9	-175.3	-167.4	-16	0	0	0	109.1	S38 W42 K43	D36-S38 WeakPolarHBondContact OD1-CB 3.49Å; D36-S38 PolarHBondContact OD1-N 2.94Å; D36-S38 PolarHBondContact OD1-OG 2.57Å; D36-W42 CarbonylContact O-C 3.53Å; D36-W42 VanDerWaalsContact O-CA 3.31Å; D36-W42 WeakPolarHBondContact O-CA 3.39Å; D36-K43 HydrophobicContact CB-CB 3.6Å; D36-K43 PolarHBondContact N-O 3.41Å; D36-K43 PolarHBondContact O-N 3.17Å
37	D	89.5	Confident	90.1	Very high	62 Å²	62	70.1 Å²	70.1	33%	0.332	36%	0.36	S	S	.	.			trans	-124.8	11.4	-179.8	53.4	19.1	0	0	0	112.8	L34 Q39 W42 R61	L34-D37 HydrophobicContact CD1-CB 4.23Å; L34-D37 HydrophobicContact CD2-CB 4.12Å; L34-D37 HydrophobicContact CG-CB 4.4Å; D37-Q39 PolarHBondContact O-N 3.11Å; D37-Q39 VanDerWaalsContact O-N 3.12Å; D37-W42 HydrophobicContact CB-CD2 4.15Å; D37-W42 HydrophobicContact CB-CG 4.17Å; D37-W42 PolarHBondContact O-NE1 3.4Å; D37-R61 VanDerWaalsContact CG-NH2 3.35Å; D37-R61 IonicContact OD2-CZ 3.83Å; D37-R61 IonicContact OD2-NH1 2.87Å; D37-R61 PolarHBondContact OD2-NH1 3.12Å; D37-R61 IonicContact OD2-NH2 2.69Å; D37-R61 PolarHBondContact OD2-NH2 2.96Å
38	S	73.7	Confident	89.8	Confident	83 Å²	83	71.8 Å²	71.8	58%	0.58	37%	0.366	S	S	*	.	S	Bend	trans	-67.5	-8.9	-173.3	60.1	0	0	0	0	115.5	D36	D36-S38 WeakPolarHBondContact OD1-CB 3.49Å; D36-S38 PolarHBondContact OD1-N 2.94Å; D36-S38 PolarHBondContact OD1-OG 2.57Å
39	Q	79.5	Confident	89.7	Confident	128 Å²	128	67.3 Å²	67.3	60%	0.598	36%	0.359	S	S	*	.	S	Bend	trans	-135.9	173.4	-175.9	-59.5	-176	32	0	0	111.2	D37 W41 W42	D37-Q39 PolarHBondContact O-N 3.11Å; D37-Q39 VanDerWaalsContact O-N 3.12Å; Q39-W41 PolarHBondContact O-N 2.73Å; Q39-W42 PolarHBondContact O-NE1 2.72Å
40	H	81.6	Confident	89.8	Confident	143 Å²	143	70.1 Å²	70.1	66%	0.662	36%	0.357	S	S	*	.	S	Bend	trans	-64.3	-18.5	175.4	-63.2	-60.1	0	0	0	114.1	S56	H40-S56 WeakPolarHBondContact O-CB 3.26Å; H40-S56 PolarHBondContact O-N 2.79Å; H40-S56 PolarHBondContact O-OG 2.95Å
41	W	90.8	Very high	89.8	Confident	100 Å²	100	71.3 Å²	71.3	38%	0.379	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.5	170.9	-71.9	75	0	0	0	109	Y16 E23 Q39 Y53 V54 P55	Y16-W41 HydrophobicContact CE1-CZ3 4.35Å; Y16-W41 AromaticContact CZ-CZ3 3.97Å; Y16-W41 WeakPolarHBondContact OH-CH2 3.33Å; Y16-W41 VanDerWaalsContact OH-CZ3 3.25Å; Y16-W41 WeakPolarHBondContact OH-CZ3 3.38Å; E23-W41 HydrophobicContact CG-CE3 4.43Å; E23-W41 HydrophobicContact CG-CH2 4.37Å; E23-W41 HydrophobicContact CG-CZ3 3.71Å; E23-W41 WeakPolarHBondContact OE1-CH2 3.13Å; E23-W41 WeakPolarHBondContact OE1-CZ3 3.32Å; Q39-W41 PolarHBondContact O-N 2.73Å; W41-Y53 HydrophobicContact CB-CD1 4.25Å; W41-V54 CarbonylContact C-O 3.49Å; W41-V54 VanDerWaalsContact CA-O 3.29Å; W41-V54 WeakPolarHBondContact CA-O 3.48Å; W41-P55 HydrophobicContact CD2-CG 4.46Å; W41-P55 HydrophobicContact CE3-CG 4.13Å; W41-P55 HydrophobicContact CH2-CG 4.04Å; W41-P55 HydrophobicContact CZ2-CG 4.31Å; W41-P55 HydrophobicContact CZ3-CG 3.91Å
42	W	94.1	Very high	89.9	Confident	37 Å²	37	66.3 Å²	66.3	14%	0.14	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.9	-177.9	-67.6	-4.2	0	0	0	110.4	V10 L34 D36 D37 Q39 V44 Y53 V54 S56 V59 R61	V10-W42 HydrophobicContact CG1-CE3 3.93Å; V10-W42 HydrophobicContact CG1-CZ3 3.78Å; L34-W42 HydrophobicContact CD1-CB 4.12Å; L34-W42 HydrophobicContact CD1-CD2 4.29Å; L34-W42 HydrophobicContact CD1-CE3 3.95Å; L34-W42 HydrophobicContact CD1-CG 4.39Å; D36-W42 CarbonylContact O-C 3.53Å; D36-W42 VanDerWaalsContact O-CA 3.31Å; D36-W42 WeakPolarHBondContact O-CA 3.39Å; D37-W42 HydrophobicContact CB-CD2 4.15Å; D37-W42 HydrophobicContact CB-CG 4.17Å; D37-W42 PolarHBondContact O-NE1 3.4Å; Q39-W42 PolarHBondContact O-NE1 2.72Å; W42-V44 HydrophobicContact CB-CG1 4.29Å; W42-Y53 CarbonylContact O-C 3.57Å; W42-Y53 WeakPolarHBondContact O-CA 3.48Å; W42-V54 HydrophobicContact CB-CG2 4.43Å; W42-V54 PolarHBondContact N-O 2.87Å; W42-V54 PolarHBondContact O-N 3.47Å; W42-S56 VanDerWaalsContact CE2-CB 3.46Å; W42-V59 HydrophobicContact CD2-CG2 4.11Å; W42-V59 HydrophobicContact CE3-CB 4.38Å; W42-V59 HydrophobicContact CE3-CG2 3.35Å; W42-V59 HydrophobicContact CZ3-CB 4.46Å; W42-V59 HydrophobicContact CZ3-CG2 3.69Å; W42-R61 HydrophobicContact CH2-CG 4.32Å; W42-R61 HydrophobicContact CZ3-CG 4.35Å
43	K	94.7	Very high	89.9	Confident	65 Å²	65	69.8 Å²	69.8	28%	0.283	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.3	170	-159.1	173.9	-172.7	162	0	108.7	I35 D36 G52 Y53	I35-K43 WeakPolarHBondContact CA-O 3.38Å; I35-K43 HydrophobicContact CB-CB 4.3Å; I35-K43 HydrophobicContact CB-CG 4.35Å; I35-K43 WeakPolarHBondContact CB-O 3.02Å; I35-K43 HydrophobicContact CG2-CD 4.15Å; I35-K43 HydrophobicContact CG2-CG 4.39Å; I35-K43 PolarHBondContact N-O 2.85Å; D36-K43 HydrophobicContact CB-CB 3.6Å; D36-K43 PolarHBondContact N-O 3.41Å; D36-K43 PolarHBondContact O-N 3.17Å; K43-G52 WeakPolarHBondContact CA-O 3.34Å; K43-Y53 HydrophobicContact CB-CD1 4.15Å; K43-Y53 HydrophobicContact CB-CE1 3.86Å; K43-Y53 HydrophobicContact CD-CE1 4.33Å; K43-Y53 HydrophobicContact CG-CE1 4.22Å
44	V	95.2	Very high	90	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.4	-173.4	-70.3	0	0	0	0	110.2	V10 L24 L32 T33 L34 W42 T51 G52 V54	V10-V44 HydrophobicContact CG2-CG1 3.89Å; L24-V44 HydrophobicContact CD2-CG2 3.86Å; L32-V44 HydrophobicContact CB-CB 4.01Å; L32-V44 HydrophobicContact CB-CG1 4.42Å; L32-V44 HydrophobicContact CD1-CB 3.98Å; L32-V44 HydrophobicContact CD1-CG1 4.36Å; L32-V44 HydrophobicContact CD1-CG2 3.77Å; T33-V44 CarbonylContact O-C 3.54Å; T33-V44 WeakPolarHBondContact O-CA 3.45Å; L34-V44 HydrophobicContact CD1-CG1 3.98Å; W42-V44 HydrophobicContact CB-CG1 4.29Å; V44-T51 VanDerWaalsContact O-CA 3.26Å; V44-T51 WeakPolarHBondContact O-CA 3.4Å; V44-G52 WeakPolarHBondContact CG2-O 3.43Å; V44-G52 PolarHBondContact N-O 3.02Å; V44-G52 PolarHBondContact O-N 2.95Å; V44-V54 HydrophobicContact CB-CG2 4.48Å; V44-V54 HydrophobicContact CG1-CG2 4.02Å; V44-V54 HydrophobicContact CG2-CB 4.15Å; V44-V54 HydrophobicContact CG2-CG1 3.47Å; V44-V54 VanDerWaalsContact CG2-CG1 3.47Å; V44-V54 HydrophobicContact CG2-CG2 3.58Å
45	M	94.4	Very high	89.9	Confident	61 Å²	61	68 Å²	68	30%	0.3	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.4	176.8	-173.5	174.2	64.3	0	0	110.3	L32 T33 I35 K50 T51	L32-M45 CarbonylContact C-O 3.57Å; L32-M45 WeakPolarHBondContact CA-O 3.19Å; T33-M45 HydrophobicContact CG2-CE 4.45Å; T33-M45 PolarHBondContact N-O 3.04Å; T33-M45 PolarHBondContact O-N 2.85Å; I35-M45 HydrophobicContact CD1-CB 3.76Å; I35-M45 HydrophobicContact CG1-CB 4.37Å; M45-K50 WeakPolarHBondContact CA-O 3.27Å; M45-T51 HydrophobicContact CB-CG2 4.09Å; M45-T51 HydrophobicContact CG-CG2 3.99Å; M45-T51 HydrophobicContact SD-CG2 4.19Å
46	N	92.9	Very high	90	Very high	19 Å²	19	65.4 Å²	65.4	10%	0.102	34%	0.339	C	S	.	.			trans	-78.5	177.8	174.9	66.7	12.5	0	0	0	112.5	L24 E30 L32 F48 G49 K50	L24-N46 HydrophobicContact CD2-CB 4.16Å; E30-N46 VanDerWaalsContact OE1-CB 3.27Å; E30-N46 WeakPolarHBondContact OE1-CB 3.14Å; L32-N46 HydrophobicContact CD2-CB 3.75Å; N46-F48 PolarHBondContact O-N 3.06Å; N46-F48 WeakPolarHBondContact OD1-CA 3.26Å; N46-F48 WeakPolarHBondContact OD1-CB 3.44Å; N46-F48 PolarHBondContact OD1-N 3.32Å; N46-F48 VanDerWaalsContact OD1-N 3.12Å; N46-G49 PolarHBondContact O-N 3.06Å; N46-G49 VanDerWaalsContact O-N 3.08Å; N46-G49 PolarHBondContact OD1-N 3.22Å; N46-K50 PolarHBondContact N-O 2.82Å; N46-K50 VanDerWaalsContact N-O 3.16Å; N46-K50 PolarHBondContact OD1-N 2.69Å; N46-K50 PolarHBondContact OD1-O 3.01Å
47	S	88.9	Confident	90.3	Very high	98 Å²	98	67.2 Å²	67.2	69%	0.685	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.3	176.4	51.7	0	0	0	0	114	G49	S47-G49 VanDerWaalsContact C-N 3.3Å
48	F	88	Confident	90.5	Very high	177 Å²	177	67.8 Å²	67.8	78%	0.776	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.1	177.4	-54.8	-81.8	0	0	0	113.4	N46 K50	N46-F48 PolarHBondContact O-N 3.06Å; N46-F48 WeakPolarHBondContact OD1-CA 3.26Å; N46-F48 WeakPolarHBondContact OD1-CB 3.44Å; N46-F48 PolarHBondContact OD1-N 3.32Å; N46-F48 VanDerWaalsContact OD1-N 3.12Å; F48-K50 PolarHBondContact O-N 2.81Å
49	G	88.8	Confident	91.5	Very high	45 Å²	45	64.2 Å²	64.2	46%	0.464	32%	0.321	S	S	.	.			trans	76.6	4.1	-176.3	0	0	0	0	0	114.5	N46 S47 T51	N46-G49 PolarHBondContact O-N 3.06Å; N46-G49 VanDerWaalsContact O-N 3.08Å; N46-G49 PolarHBondContact OD1-N 3.22Å; S47-G49 VanDerWaalsContact C-N 3.3Å; G49-T51 PolarHBondContact O-N 2.84Å
50	K	90.7	Very high	92	Very high	111 Å²	111	63.8 Å²	63.8	48%	0.483	32%	0.317	S	S	.	.			trans	-72.3	123.8	172.4	-171.6	-176	173.1	-169.2	0	108.4	L24 M45 N46 F48	L24-K50 HydrophobicContact CD1-CB 4.03Å; L24-K50 HydrophobicContact CD1-CD 3.6Å; L24-K50 HydrophobicContact CD1-CG 3.7Å; M45-K50 WeakPolarHBondContact CA-O 3.27Å; N46-K50 PolarHBondContact N-O 2.82Å; N46-K50 VanDerWaalsContact N-O 3.16Å; N46-K50 PolarHBondContact OD1-N 2.69Å; N46-K50 PolarHBondContact OD1-O 3.01Å; F48-K50 PolarHBondContact O-N 2.81Å
51	T	93.2	Very high	92.3	Very high	69 Å²	69	62.4 Å²	62.4	42%	0.423	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	143.9	173.1	65.4	0	0	0	0	110.9	I35 V44 M45 G49	I35-T51 HydrophobicContact CD1-CG2 3.51Å; V44-T51 VanDerWaalsContact O-CA 3.26Å; V44-T51 WeakPolarHBondContact O-CA 3.4Å; M45-T51 HydrophobicContact CB-CG2 4.09Å; M45-T51 HydrophobicContact CG-CG2 3.99Å; M45-T51 HydrophobicContact SD-CG2 4.19Å; G49-T51 PolarHBondContact O-N 2.84Å
52	G	94.7	Very high	91.7	Very high	3 Å²	3	59.8 Å²	59.8	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	175.9	169.1	0	0	0	0	0	111.4	H22 K43 V44	H22-G52 CarbonylContact O-C 3.58Å; H22-G52 VanDerWaalsContact O-CA 3.26Å; H22-G52 WeakPolarHBondContact O-CA 3.27Å; K43-G52 WeakPolarHBondContact CA-O 3.34Å; V44-G52 WeakPolarHBondContact CG2-O 3.43Å; V44-G52 PolarHBondContact N-O 3.02Å; V44-G52 PolarHBondContact O-N 2.95Å
53	Y	95.4	Very high	90	Very high	73 Å²	73	66.1 Å²	66.1	29%	0.286	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	143.1	176.7	-69.3	-82.6	0	0	0	111.5	H22 E23 L24 W41 W42 K43	H22-Y53 HydrophobicContact CB-CD2 4.34Å; H22-Y53 WeakPolarHBondContact O-CD2 3.4Å; H22-Y53 PolarHBondContact O-N 2.92Å; E23-Y53 CarbonylContact C-O 3.56Å; E23-Y53 VanDerWaalsContact CA-O 3.27Å; E23-Y53 WeakPolarHBondContact CA-O 3.39Å; L24-Y53 PolarHBondContact N-O 3.07Å; W41-Y53 HydrophobicContact CB-CD1 4.25Å; W42-Y53 CarbonylContact O-C 3.57Å; W42-Y53 WeakPolarHBondContact O-CA 3.48Å; K43-Y53 HydrophobicContact CB-CD1 4.15Å; K43-Y53 HydrophobicContact CB-CE1 3.86Å; K43-Y53 HydrophobicContact CD-CE1 4.33Å; K43-Y53 HydrophobicContact CG-CE1 4.22Å
54	V	95.1	Very high	87.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.8	175	-56.9	0	0	0	0	111.1	L24 I26 W41 W42 V44 S56 V59	L24-V54 HydrophobicContact CB-CG1 3.78Å; L24-V54 WeakPolarHBondContact O-CG1 3.35Å; I26-V54 HydrophobicContact CD1-CB 3.88Å; I26-V54 HydrophobicContact CD1-CG1 3.87Å; I26-V54 HydrophobicContact CD1-CG2 4.34Å; I26-V54 HydrophobicContact CG1-CG1 4.34Å; I26-V54 HydrophobicContact CG2-CG1 3.85Å; W41-V54 CarbonylContact C-O 3.49Å; W41-V54 VanDerWaalsContact CA-O 3.29Å; W41-V54 WeakPolarHBondContact CA-O 3.48Å; W42-V54 HydrophobicContact CB-CG2 4.43Å; W42-V54 PolarHBondContact N-O 2.87Å; W42-V54 PolarHBondContact O-N 3.47Å; V44-V54 HydrophobicContact CB-CG2 4.48Å; V44-V54 HydrophobicContact CG1-CG2 4.02Å; V44-V54 HydrophobicContact CG2-CB 4.15Å; V44-V54 HydrophobicContact CG2-CG1 3.47Å; V44-V54 VanDerWaalsContact CG2-CG1 3.47Å; V44-V54 HydrophobicContact CG2-CG2 3.58Å; V54-S56 PolarHBondContact O-N 3.49Å; V54-V59 HydrophobicContact CG2-CG1 4Å; V54-V59 HydrophobicContact CG2-CG2 4.15Å
55	P	91	Very high	85.1	Confident	14 Å²	14	69.8 Å²	69.8	9%	0.091	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	125.5	175.4	-23	34.1	0	0	0	111.6	Y16 W41 N57 Y58	Y16-P55 HydrophobicContact CD2-CG 4.15Å; Y16-P55 HydrophobicContact CE1-CG 4.37Å; Y16-P55 HydrophobicContact CE2-CG 3.86Å; W41-P55 HydrophobicContact CD2-CG 4.46Å; W41-P55 HydrophobicContact CE3-CG 4.13Å; W41-P55 HydrophobicContact CH2-CG 4.04Å; W41-P55 HydrophobicContact CZ2-CG 4.31Å; W41-P55 HydrophobicContact CZ3-CG 3.91Å; P55-N57 WeakPolarHBondContact CB-OD1 3.47Å; P55-N57 PolarHBondContact O-N 3.03Å; P55-N57 VanDerWaalsContact O-N 3.16Å; P55-Y58 HydrophobicContact CB-CD2 3.73Å; P55-Y58 HydrophobicContact CB-CE2 4.3Å; P55-Y58 HydrophobicContact CB-CG 4.41Å; P55-Y58 HydrophobicContact CG-CD2 4.25Å; P55-Y58 WeakPolarHBondContact O-CB 3.17Å; P55-Y58 PolarHBondContact O-N 3.23Å
56	S	91.6	Very high	82.5	Confident	29 Å²	29	74 Å²	74	20%	0.203	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-57.9	-31	-176.1	54.2	0	0	0	0	113.9	H40 W42 V54 Y58 V59	H40-S56 WeakPolarHBondContact O-CB 3.26Å; H40-S56 PolarHBondContact O-N 2.79Å; H40-S56 PolarHBondContact O-OG 2.95Å; W42-S56 VanDerWaalsContact CE2-CB 3.46Å; V54-S56 PolarHBondContact O-N 3.49Å; S56-Y58 PolarHBondContact O-N 3.11Å; S56-V59 WeakPolarHBondContact O-CG2 3.18Å; S56-V59 PolarHBondContact O-N 3.28Å; S56-V59 VanDerWaalsContact O-O 3.08Å
57	N	92.2	Very high	79.8	Confident	95 Å²	95	80.3 Å²	80.3	51%	0.508	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-68.8	-17.9	175.1	59.7	-33.6	0	0	0	113.8	K13 P55	K13-N57 WeakPolarHBondContact CD-O 3.01Å; K13-N57 WeakPolarHBondContact CE-O 3.25Å; K13-N57 PolarHBondContact NZ-O 3.48Å; P55-N57 WeakPolarHBondContact CB-OD1 3.47Å; P55-N57 PolarHBondContact O-N 3.03Å; P55-N57 VanDerWaalsContact O-N 3.16Å
58	Y	94.4	Very high	77.3	Confident	74 Å²	74	79.2 Å²	79.2	29%	0.29	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-87.4	-5.6	175.3	-77.3	-117	0	0	0	113.1	V12 K13 F14 D15 Y16 P55 S56	V12-Y58 CarbonylContact C-O 3.54Å; K13-Y58 WeakPolarHBondContact CB-O 3.31Å; K13-Y58 PolarHBondContact N-O 3.36Å; F14-Y58 HydrophobicContact CB-CD1 3.68Å; F14-Y58 HydrophobicContact CB-CE1 3.96Å; F14-Y58 HydrophobicContact CB-CG 4.47Å; F14-Y58 HydrophobicContact CD2-CD1 4.27Å; F14-Y58 HydrophobicContact CD2-CG 4.31Å; F14-Y58 HydrophobicContact CG-CD1 4.49Å; D15-Y58 VanDerWaalsContact O-CE1 3.32Å; D15-Y58 WeakPolarHBondContact O-CE1 3.37Å; Y16-Y58 HydrophobicContact CD2-CD1 4.46Å; Y16-Y58 HydrophobicContact CD2-CE1 4.21Å; Y16-Y58 HydrophobicContact CG-CD1 4.38Å; Y16-Y58 HydrophobicContact CG-CE1 4.5Å; P55-Y58 HydrophobicContact CB-CD2 3.73Å; P55-Y58 HydrophobicContact CB-CE2 4.3Å; P55-Y58 HydrophobicContact CB-CG 4.41Å; P55-Y58 HydrophobicContact CG-CD2 4.25Å; P55-Y58 WeakPolarHBondContact O-CB 3.17Å; P55-Y58 PolarHBondContact O-N 3.23Å; S56-Y58 PolarHBondContact O-N 3.11Å
59	V	93.3	Very high	74.7	Confident	7 Å²	7	75.3 Å²	75.3	4%	0.042	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	162	-180	-76.3	0	0	0	0	111.6	V10 I11 V12 K13 I26 L32 W42 V54 S56	V10-V59 HydrophobicContact CB-CB 4.09Å; V10-V59 HydrophobicContact CB-CG1 4.48Å; V10-V59 HydrophobicContact CG2-CB 4.07Å; V10-V59 HydrophobicContact CG2-CG1 3.98Å; I11-V59 CarbonylContact O-C 3.59Å; I11-V59 WeakPolarHBondContact O-CA 3.33Å; V12-V59 HydrophobicContact CG2-CG1 4.03Å; K13-V59 WeakPolarHBondContact CD-O 3.29Å; I26-V59 HydrophobicContact CD1-CG1 4.21Å; L32-V59 HydrophobicContact CD1-CG1 4.37Å; W42-V59 HydrophobicContact CD2-CG2 4.11Å; W42-V59 HydrophobicContact CE3-CB 4.38Å; W42-V59 HydrophobicContact CE3-CG2 3.35Å; W42-V59 HydrophobicContact CZ3-CB 4.46Å; W42-V59 HydrophobicContact CZ3-CG2 3.69Å; V54-V59 HydrophobicContact CG2-CG1 4Å; V54-V59 HydrophobicContact CG2-CG2 4.15Å; S56-V59 WeakPolarHBondContact O-CG2 3.18Å; S56-V59 PolarHBondContact O-N 3.28Å; S56-V59 VanDerWaalsContact O-O 3.08Å
60	K	91.2	Very high	72.5	Confident	119 Å²	119	78.3 Å²	78.3	52%	0.517	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	129.4	177.5	-176.6	171.7	-176.9	168.2	0	109.1	V10 I11 K13 S62	V10-K60 CarbonylContact C-O 3.45Å; V10-K60 VanDerWaalsContact CA-O 3.29Å; V10-K60 WeakPolarHBondContact CA-O 3.35Å; I11-K60 PolarHBondContact N-O 2.96Å; I11-K60 PolarHBondContact O-N 2.91Å; K13-K60 HydrophobicContact CD-CB 4.1Å; K13-K60 HydrophobicContact CG-CB 3.99Å; K60-S62 PolarHBondContact O-N 3.38Å
61	R	87.6	Confident	70.2	Confident	114 Å²	114	83.7 Å²	83.7	43%	0.43	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	125.3	172.6	-65.5	-170.6	-165.6	-101.6	-3.6	110	D8 V10 D37 W42 K63	D8-R61 IonicContact OD2-NH1 3.65Å; V10-R61 HydrophobicContact CG1-CG 4.43Å; D37-R61 VanDerWaalsContact CG-NH2 3.35Å; D37-R61 IonicContact OD2-CZ 3.83Å; D37-R61 IonicContact OD2-NH1 2.87Å; D37-R61 PolarHBondContact OD2-NH1 3.12Å; D37-R61 IonicContact OD2-NH2 2.69Å; D37-R61 PolarHBondContact OD2-NH2 2.96Å; W42-R61 HydrophobicContact CH2-CG 4.32Å; W42-R61 HydrophobicContact CZ3-CG 4.35Å; R61-K63 PolarHBondContact O-N 3.38Å
62	S	77.7	Confident	67.5	Low	45 Å²	45	87.4 Å²	87.4	32%	0.315	44%	0.438	S	S	.	.			trans	-65.7	116	174.2	-177.3	0	0	0	0	107.7	F9 K60 Q64	F9-S62 VanDerWaalsContact O-CB 3.25Å; F9-S62 WeakPolarHBondContact O-CB 3.45Å; F9-S62 PolarHBondContact O-N 2.57Å; K60-S62 PolarHBondContact O-N 3.38Å; S62-Q64 PolarHBondContact O-N 3.08Å
63	K	59	Low	64.9	Low	171 Å²	171	92.9 Å²	92.9	74%	0.743	47%	0.471	S	S	*	.			trans	-63.6	97.9	172.6	-69.5	-173.9	176.8	-174.9	0	108.2	R61 G65	R61-K63 PolarHBondContact O-N 3.38Å; K63-G65 PolarHBondContact O-N 3.16Å; K63-G65 VanDerWaalsContact O-N 3.12Å
64	Q	49.9	Very low	62.1	Low	93 Å²	93	97.4 Å²	97.4	44%	0.435	50%	0.5	S	S	.	.			trans	-53.3	121.6	163.7	-90.9	-171.7	-2.5	0	0	106.7	N6 S62	N6-Q64 PolarHBondContact ND2-OE1 2.97Å; N6-Q64 PolarHBondContact OD1-NE2 3.24Å; N6-Q64 PolarHBondContact OD1-OE1 3.26Å; S62-Q64 PolarHBondContact O-N 3.08Å
65	G	36.9	Very low	59.2	Low	48 Å²	48	100.1 Å²	100.1	50%	0.495	53%	0.528	S	S	.	.			trans	-58.8	143.9	-171.2	0	0	0	0	0	111.3	K63 F67 S68	K63-G65 PolarHBondContact O-N 3.16Å; K63-G65 VanDerWaalsContact O-N 3.12Å; G65-F67 PolarHBondContact O-N 3.04Å; G65-S68 PolarHBondContact O-N 3.49Å
66	I	40.8	Very low	56.8	Low	149 Å²	149	111.1 Å²	111.1	76%	0.764	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	21.4	175.7	48.1	171.4	0	0	0	116.3	L70	I66-L70 WeakPolarHBondContact O-CD1 3.19Å
67	F	36.3	Very low	54.1	Low	152 Å²	152	122 Å²	122	67%	0.667	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	-4.9	-175.5	-69.3	-73	0	0	0	114.8	G65 L70	G65-F67 PolarHBondContact O-N 3.04Å; F67-L70 HydrophobicContact CD1-CD1 4.22Å; F67-L70 HydrophobicContact CE1-CD1 4.48Å
68	S	34.6	Very low	51.6	Low	76 Å²	76	126.5 Å²	126.5	53%	0.531	62%	0.619	S	S	.	*	S	Bend	trans	-72	-42.1	174.4	50.3	0	0	0	0	112.6	G65	G65-S68 PolarHBondContact O-N 3.49Å
69	S	33.9	Very low	48.7	Very low	95 Å²	95	130.5 Å²	130.5	66%	0.664	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-81	-11.3	-178.6	-55.1	0	0	0	0	115	R71	S69-R71 VanDerWaalsContact C-N 3.34Å
70	L	42.3	Very low	45.8	Very low	108 Å²	108	141.3 Å²	141.3	57%	0.565	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-83	-4.1	179.6	-73.3	174.6	0	0	0	114.3	I66 F67	I66-L70 WeakPolarHBondContact O-CD1 3.19Å; F67-L70 HydrophobicContact CD1-CD1 4.22Å; F67-L70 HydrophobicContact CE1-CD1 4.48Å
71	R	42.2	Very low	43.3	Very low	223 Å²	223	144.6 Å²	144.6	84%	0.842	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-90	-9.7	177.4	-89.9	-175	175.8	164.9	0.6	115.7	S69	S69-R71 VanDerWaalsContact C-N 3.34Å
72	N	37	Very low	40.9	Very low	147 Å²	147	148 Å²	148	79%	0.786	72%	0.723	S	S	*	*	S	Bend	trans	-106.8	-1.6	-175.2	-72	-5.7	0	0	0	114.9
73	T	40.1	Very low	38.8	Very low	118 Å²	118	149 Å²	149	72%	0.724	74%	0.741	S	S	*	*	S	Bend	trans	-119.6	6.8	-174.9	-17.5	0	0	0	0	114.2
74	L	37	Very low	37.9	Very low	169 Å²	169	146.3 Å²	146.3	89%	0.885	74%	0.744	S	S	*	*	S	Bend	trans	-109.3	60.8	168.7	-82.3	164.7	0	0	0	110
75	G	35	Very low	37.3	Very low	57 Å²	57	147.9 Å²	147.9	59%	0.588	76%	0.76	S	S	*	*	S	Bend	trans	-169.1	142.9	176.5	0	0	0	0	0	110.4
76	R	39.3	Very low	37.3	Very low	244 Å²	244	150.6 Å²	150.6	92%	0.921	77%	0.772	S	S	*	*			trans	70.5	60.3	-179.4	-51.4	175.6	174.6	177.2	-2.5	116.1	K78	R76-K78 PolarHBondContact O-N 2.92Å
77	R	35	Very low	37.2	Very low	257 Å²	257	149.6 Å²	149.6	97%	0.97	77%	0.773	S	S	*	*			trans	-75.8	108.6	136.5	-129.1	178.2	-178.7	177.5	-0.7	106.6
78	K	40.3	Very low	37.3	Very low	191 Å²	191	152.4 Å²	152.4	83%	0.83	78%	0.779	S	S	*	*			trans	-81	130.6	-166.4	178.6	179.3	174.3	-179.1	0	110.9	R76	R76-K78 PolarHBondContact O-N 2.92Å
79	N	32.8	Very low	37.7	Very low	157 Å²	157	156.3 Å²	156.3	84%	0.84	79%	0.789	S	S	*	*			trans	-52.3	139.2	169	-86.7	-14.4	0	0	0	111.6
80	R	34.1	Very low	38.1	Very low	234 Å²	234	156.6 Å²	156.6	88%	0.883	79%	0.79	S	S	*	*			trans	-152	83.5	159.3	-166.8	-177.7	-170.6	-177.2	2.5	111.3
81	Q	37	Very low	38.3	Very low	189 Å²	189	158.7 Å²	158.7	88%	0.883	80%	0.802	S	S	*	*			trans	-165.2	127.8	135.1	-106.3	161.3	-0.4	0	0	108.5
82	E	36.8	Very low	38.7	Very low	184 Å²	184	152.9 Å²	152.9	86%	0.86	79%	0.793	S	S	*	*			trans	-70	156.9	174.5	-66.9	123.1	162.8	0	0	109.9
83	G	34.9	Very low	38.9	Very low	67 Å²	67	151 Å²	151	69%	0.691	79%	0.792	S	S	*	*				66.7	122.3	83.7	0	0	0	0	0	111.2
84	S	39.2	Very low	39.1	Very low	115 Å²	115	151.3 Å²	151.3	80%	0.804	80%	0.799	S	S	*	*			cis	-161.2	160.5	17.8	-57.9	0	0	0	0	112.2
85	T	37.3	Very low	39.8	Very low	126 Å²	126	148.9 Å²	148.9	77%	0.773	79%	0.793	S	S	*	*			trans	-4.2	129.5	155.3	50.2	0	0	0	0	121.3
86	S	37.4	Very low	40.6	Very low	105 Å²	105	153 Å²	153	73%	0.734	81%	0.807	S	S	*	*				68	123.3	127.1	-57.4	0	0	0	0	123.1
87	T	38.8	Very low	40.9	Very low	128 Å²	128	147 Å²	147	79%	0.785	80%	0.8	S	S	*	*			trans	86.3	117.6	139	-54.2	0	0	0	0	120.3
88	R	38.2	Very low	41.3	Very low	210 Å²	210	143.3 Å²	143.3	79%	0.792	80%	0.799	S	S	*	*			trans	39.3	121.8	152.7	-83.8	-179.2	157.7	-177.6	-5.3	121.2
89	Q	43.4	Very low	41.4	Very low	159 Å²	159	137 Å²	137	74%	0.743	79%	0.789	S	S	*	*				42.4	114.5	124	-69.1	175.7	-47.8	0	0	119.3
90	S	42.3	Very low	42.1	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	79%	0.786	S	S	*	*			trans	42.9	134.8	133.4	63.6	0	0	0	0	119.5
91	N	46.5	Very low	42.5	Very low	153 Å²	153	131.3 Å²	131.3	82%	0.818	78%	0.784	S	S	*	*			cis	-167	-174.5	24.2	-124.6	6.6	0	0	0	109.8
92	P	50.2	Low	42.6	Very low	100 Å²	100	125.4 Å²	125.4	65%	0.649	77%	0.774	S	S	*	*				-127	-179.6	-124.1	46.6	-33.5	0	0	0	116.8
93	S	42	Very low	42.7	Very low	108 Å²	108	126.6 Å²	126.6	76%	0.755	78%	0.777	S	S	*	*			trans	59	116.8	147.2	-57.8	0	0	0	0	121.5
94	S	43.5	Very low	43	Very low	125 Å²	125	128.6 Å²	128.6	87%	0.874	78%	0.78	S	S	*	*				-174	140.5	122.7	-78.6	0	0	0	0	111.9
95	P	51.8	Low	42.8	Very low	118 Å²	118	127.2 Å²	127.2	77%	0.766	78%	0.776	S	S	*	*			trans	-116.9	162.2	-178.4	40.9	-32.1	0	0	0	115
96	T	52.1	Low	43	Very low	143 Å²	143	130.3 Å²	130.3	88%	0.877	78%	0.779	S	S	*	*			trans	-163.6	147.7	149.1	24	0	0	0	0	111.2
97	P	46.4	Very low	43.1	Very low	118 Å²	118	131.8 Å²	131.8	77%	0.766	78%	0.779	S	S	*	*			trans	-120.1	149.4	176	39.6	-28.6	0	0	0	115.4
98	D	43	Very low	43.1	Very low	179 Å²	179	132.3 Å²	132.3	96%	0.957	78%	0.776	S	S	*	*			trans	-165.5	152	160.5	-92.6	-38.5	0	0	0	105.7
99	G	42.4	Very low	42.9	Very low	60 Å²	60	132.3 Å²	132.3	62%	0.619	78%	0.776	S	S	*	*			cis	170.6	166	-4.2	0	0	0	0	0	109.4
100	S	47.3	Very low	42.9	Very low	111 Å²	111	132 Å²	132	78%	0.776	77%	0.774	S	S	*	*			trans	67.8	163.1	169	85.5	0	0	0	0	118.1
101	N	41.7	Very low	42.6	Very low	159 Å²	159	134.1 Å²	134.1	85%	0.85	77%	0.773	S	S	*	*			cis	-169.1	156.4	-28.8	-102.8	-16	0	0	0	110.3
102	G	38.8	Very low	42.2	Very low	65 Å²	65	132 Å²	132	67%	0.67	77%	0.77	S	S	*	*			trans	84.4	136.8	158.9	0	0	0	0	0	117.4
103	F	38.6	Very low	41.7	Very low	210 Å²	210	131.1 Å²	131.1	92%	0.921	77%	0.771	S	S	*	*			cis	112.7	144.6	21.5	-90	-64.6	0	0	0	113.7
104	S	41.4	Very low	41.6	Very low	108 Å²	108	135 Å²	135	76%	0.755	78%	0.777	S	S	*	*			trans	70.7	130.6	-174.1	68.3	0	0	0	0	116
105	A	36.4	Very low	41.6	Very low	86 Å²	86	133.4 Å²	133.4	71%	0.711	77%	0.766	S	S	*	*			cis	87.9	156.9	34.3	0	0	0	0	0	113.9
106	F	40.6	Very low	41.1	Very low	192 Å²	192	135.9 Å²	135.9	84%	0.842	77%	0.773	S	S	*	*			trans	77.6	148.1	-169.8	-61.1	-78.1	0	0	0	115.5
107	D	39.2	Very low	40.3	Very low	135 Å²	135	132.7 Å²	132.7	72%	0.722	77%	0.768	S	S	*	*			cis	-158.8	-178.4	-25.8	-153.2	-22.7	0	0	0	108.5
108	L	38.3	Very low	40	Very low	140 Å²	140	131.8 Å²	131.8	73%	0.733	77%	0.77	S	S	*	*			trans	-72.9	163.1	179.2	-76	117	0	0	0	115.5
109	R	35.8	Very low	39.8	Very low	210 Å²	210	132.8 Å²	132.8	79%	0.792	77%	0.766	S	S	*	*				102.1	143.6	128.3	-114.1	172.3	-178	152.4	-0.7	120.7
110	H	42.8	Very low	39.5	Very low	151 Å²	151	136.6 Å²	136.6	70%	0.699	78%	0.777	S	S	*	*			trans	60.7	163.2	168.7	-72	-88.3	0	0	0	117.7
111	E	36.1	Very low	39	Very low	145 Å²	145	136 Å²	136	68%	0.678	78%	0.778	S	S	*	*			cis	-176.3	153	-40.8	-165.7	-173.4	136.1	0	0	106.1
112	S	36.9	Very low	38.6	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	78%	0.776	S	S	*	*			trans	66.2	153.8	166.7	-71.1	0	0	0	0	116.4
113	A	40.3	Very low	38.6	Very low	82 Å²	82	137.8 Å²	137.8	68%	0.678	79%	0.787	S	S	*	*			cis	-160.4	-172.3	-18	0	0	0	0	0	108.3
114	E	39.7	Very low	38.3	Very low	189 Å²	189	133.4 Å²	133.4	88%	0.883	78%	0.783	S	S	*	*			trans	72.8	148.3	159.3	-64.3	-171.3	158.7	0	0	118.6
115	S	43.2	Very low	38.1	Very low	92 Å²	92	133.2 Å²	133.2	64%	0.643	79%	0.788	S	S	*	*			cis	-168.4	171.7	-18.6	-172.8	0	0	0	0	110.7
116	L	41.9	Very low	37.9	Very low	171 Å²	171	134.5 Å²	134.5	90%	0.895	79%	0.792	S	S	*	*			trans	67.3	135.1	165.6	-44.5	178.9	0	0	0	117.2
117	G	36.5	Very low	37.6	Very low	75 Å²	75	131.2 Å²	131.2	77%	0.773	79%	0.788	S	S	*	*			cis	-178	-175.3	-4.6	0	0	0	0	0	107.8
118	A	38.8	Very low	37.4	Very low	99 Å²	99	129.7 Å²	129.7	82%	0.818	79%	0.787	S	S	*	*			cis	177.4	127.2	-16.9	0	0	0	0	0	107.5
119	K	39	Very low	37.3	Very low	200 Å²	200	130.1 Å²	130.1	87%	0.87	79%	0.789	S	S	*	*			trans	147.4	110.2	157.7	-86.4	179	177	-172.8	0	109.7
120	V	36.7	Very low	37.3	Very low	141 Å²	141	127.5 Å²	127.5	86%	0.855	79%	0.789	S	S	*	*				66.3	122.5	70.2	179.4	0	0	0	0	110.3
121	A	36.8	Very low	37.3	Very low	97 Å²	97	127.1 Å²	127.1	80%	0.802	79%	0.791	S	S	*	*			cis	-140.1	168.6	28.9	0	0	0	0	0	115.2
122	S	32.6	Very low	37.7	Very low	114 Å²	114	125.9 Å²	125.9	80%	0.797	80%	0.796	S	S	*	*			trans	-133.1	138.3	170.8	46.4	0	0	0	0	109.8
123	T	38.5	Very low	38	Very low	148 Å²	148	126.7 Å²	126.7	91%	0.908	80%	0.799	S	S	*	*			trans	-160.1	129.1	159.3	36.5	0	0	0	0	111.1
124	S	32.3	Very low	37.7	Very low	119 Å²	119	127.7 Å²	127.7	83%	0.832	80%	0.801	S	S	*	*			trans	-82.1	147.9	165.6	50.5	0	0	0	0	112.1
125	A	37.9	Very low	37.6	Very low	104 Å²	104	127.2 Å²	127.2	86%	0.86	80%	0.798	S	S	*	*			trans	-170.1	147	143.9	0	0	0	0	0	112.2
126	S	32.3	Very low	37	Very low	113 Å²	113	126.6 Å²	126.6	79%	0.79	80%	0.799	S	S	*	*			trans	-75.9	161.9	172.9	-44.7	0	0	0	0	112.6
127	T	34.8	Very low	36.7	Very low	123 Å²	123	128.2 Å²	128.2	76%	0.755	80%	0.799	S	S	*	*				168.5	110.9	121.6	-68.4	0	0	0	0	112.1
128	S	34.3	Very low	36.7	Very low	102 Å²	102	128.2 Å²	128.2	71%	0.713	79%	0.791	S	S	*	*			trans	22.6	164.7	132.5	-44.8	0	0	0	0	124.4
129	I	36.9	Very low	36.4	Very low	149 Å²	149	130.7 Å²	130.7	76%	0.764	79%	0.791	S	S	*	*			trans	88	132	160.7	-50.4	-177.8	0	0	0	113.4
130	L	34.5	Very low	36.2	Very low	155 Å²	155	129.5 Å²	129.5	81%	0.812	79%	0.791	S	S	*	*			cis	-147.7	159.5	25.1	-132.3	148.7	0	0	0	112.2
131	I	43.6	Very low	35.8	Very low	143 Å²	143	132.7 Å²	132.7	73%	0.733	79%	0.787	S	S	*	*			trans	-127.6	154.5	172.5	-63.3	166.5	0	0	0	108.5
132	P	45.2	Very low	35.7	Very low	120 Å²	120	134 Å²	134	78%	0.779	78%	0.78	S	S	*	*			trans	-119.5	157.8	147.8	8.8	12.6	0	0	0	113.9
133	P	41.6	Very low	35.7	Very low	125 Å²	125	135.3 Å²	135.3	81%	0.812	77%	0.774	S	S	*	*			trans	-120.4	-167.8	-144.8	43	-30.9	0	0	0	115.7
134	S	34.3	Very low	35.3	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	77%	0.769	S	S	*	*			trans	-88.3	166.2	-179.7	56.2	0	0	0	0	115
135	Q	37.7	Very low	35.3	Very low	179 Å²	179	134.3 Å²	134.3	84%	0.836	77%	0.765	S	S	*	*			trans	157.8	129.8	144.4	-86.3	165.3	21.2	0	0	107.9
136	A	30.5	Very low	35.2	Very low	79 Å²	79	137.1 Å²	137.1	65%	0.653	76%	0.764	S	S	*	*			cis	93.8	149.5	47.6	0	0	0	0	0	113.2
137	F	36.2	Very low	35.1	Very low	205 Å²	205	136 Å²	136	90%	0.899	76%	0.756	S	S	*	*			trans	74.5	152.4	-174	-62	-93.9	0	0	0	117.3
138	A	35.3	Very low	35.1	Very low	74 Å²	74	137 Å²	137	61%	0.612	76%	0.757	S	S	*	*			cis	-170.9	147	-32	0	0	0	0	0	110.6
139	D	32.7	Very low	34.9	Very low	151 Å²	151	136.4 Å²	136.4	81%	0.807	75%	0.753	S	S	*	*			trans	44.5	153.8	147.5	-68.7	-42.1	0	0	0	125.6
140	M	34.4	Very low	34.7	Very low	176 Å²	176	139.2 Å²	139.2	87%	0.867	76%	0.76	S	S	*	*			trans	80	147.6	161.4	-59.9	-160.7	-61.9	0	0	119.5
141	R	30.1	Very low	34.4	Very low	208 Å²	208	136 Å²	136	79%	0.785	75%	0.75	S	S	*	*			cis	-176	148.7	-29.3	-156	-165.7	163.9	147.8	-6.7	107.4
142	L	33.2	Very low	33.9	Very low	123 Å²	123	136.8 Å²	136.8	64%	0.644	75%	0.754	S	S	*	*			trans	68.2	158.3	166.4	-49.8	178.9	0	0	0	115.6
143	Q	32.4	Very low	33.5	Very low	143 Å²	143	136.1 Å²	136.1	67%	0.668	75%	0.75	S	S	*	*			cis	-151.8	155.2	5	-143.1	152.4	-5.9	0	0	113.7
144	E	31.9	Very low	33	Very low	172 Å²	172	135.1 Å²	135.1	80%	0.804	75%	0.746	S	S	*	*			trans	0.8	132	155.1	-64.3	155.9	-153.6	0	0	120.1
145	G	31	Very low	32.9	Very low	73 Å²	73	136.8 Å²	136.8	75%	0.753	75%	0.747	S	S	*	*				128.6	162.6	100.4	0	0	0	0	0	109.2
146	I	37	Very low	32.7	Very low	164 Å²	164	134.6 Å²	134.6	84%	0.841	74%	0.741	S	S	*	*			cis	-142.1	166.9	13.5	-75	163.7	0	0	0	108.4
147	S	29.8	Very low	32.8	Very low	90 Å²	90	139 Å²	139	63%	0.629	75%	0.748	S	S	*	*			trans	-61.4	164.4	173.8	53.3	0	0	0	0	114.6
148	D	35	Very low	32.8	Very low	142 Å²	142	136.2 Å²	136.2	76%	0.759	74%	0.741	S	S	*	*				-169.9	135	104.5	-90.5	-7	0	0	0	113.9
149	S	28.5	Very low	32.7	Very low	90 Å²	90	137.9 Å²	137.9	63%	0.629	75%	0.748	S	S	*	*			trans	-78.9	144.9	172.8	52.1	0	0	0	0	111.8
150	F	33.3	Very low	32.9	Very low	209 Å²	209	135.6 Å²	135.6	92%	0.917	74%	0.739	S	S	*	*			trans	-148.3	154.7	145.9	-97.8	-71.2	0	0	0	111.9
151	S	28	Very low	33	Very low	87 Å²	87	135 Å²	135	61%	0.608	73%	0.734	S	S	*	*			trans	-136.9	142.6	-152.3	-51.8	0	0	0	0	113.3
152	I	33	Very low	33.2	Very low	160 Å²	160	132.7 Å²	132.7	82%	0.821	73%	0.732	S	S	*	*			trans	67	171.6	148	-64.2	166.3	0	0	0	112.8
153	P	37.3	Very low	33.1	Very low	106 Å²	106	130.6 Å²	130.6	69%	0.688	73%	0.733	S	S	*	*			cis	-111.7	153.8	-8.7	6.5	19.8	0	0	0	115.1
154	S	30.8	Very low	33.3	Very low	103 Å²	103	132.5 Å²	132.5	72%	0.72	74%	0.739	S	S	*	*				60.6	122	84	97.9	0	0	0	0	117.5
155	N	32.3	Very low	33.2	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	74%	0.738	S	S	*	*				-172.5	166.8	112	-123.6	-25.3	0	0	0	116.4
156	N	34.6	Very low	33.4	Very low	132 Å²	132	140.8 Å²	140.8	71%	0.706	75%	0.746	S	S	*	*			trans	69.2	102.1	170.6	-62.7	-4.9	0	0	0	116.5
157	Q	32	Very low	33.1	Very low	172 Å²	172	141 Å²	141	80%	0.804	74%	0.744	S	S	*	*				61.5	133.2	70.6	-60.2	-161.8	1.2	0	0	112.3
158	I	35.7	Very low	33.3	Very low	146 Å²	146	144.4 Å²	144.4	75%	0.749	76%	0.755	S	S	*	*			cis	-149.5	125.1	49.4	-73.5	167.4	0	0	0	108.1
159	S	33.8	Very low	33.2	Very low	109 Å²	109	142.3 Å²	142.3	76%	0.762	76%	0.757	S	S	*	*				65.7	145.2	98.3	-135.3	0	0	0	0	114.8
160	V	36.5	Very low	33.2	Very low	103 Å²	103	145.8 Å²	145.8	62%	0.624	77%	0.768	S	S	*	*			cis	-160.2	126.6	36.8	-179.6	0	0	0	0	111.9
161	Q	37.4	Very low	33.3	Very low	164 Å²	164	144.9 Å²	144.9	77%	0.766	76%	0.764	S	S	*	*			trans	54.6	164.1	148	-55.8	169.5	21.5	0	0	121.3
162	H	33.4	Very low	33.5	Very low	160 Å²	160	146.4 Å²	146.4	74%	0.741	77%	0.77	S	S	*	*			cis	-145.5	166.8	-1.7	-138.8	159.3	0	0	0	111
163	A	32.4	Very low	33.6	Very low	79 Å²	79	144.8 Å²	144.8	65%	0.653	77%	0.767	S	S	*	*			trans	-123	174.3	-172.9	0	0	0	0	0	113.4
164	K	35.6	Very low	33.5	Very low	182 Å²	182	146.4 Å²	146.4	79%	0.791	77%	0.77	S	S	*	*			trans	122.5	113.6	159.6	-69	159.7	-174.1	172.8	0	111.8
165	R	29.3	Very low	33.6	Very low	212 Å²	212	146.1 Å²	146.1	80%	0.8	77%	0.768	S	S	*	*				93.4	116.5	58.4	178.8	-168.7	-158.6	179.8	8.6	110.4
166	F	35.2	Very low	33.7	Very low	207 Å²	207	147.5 Å²	147.5	91%	0.908	77%	0.77	S	S	*	*			trans	-163.6	148.3	134.1	-95.8	-65.8	0	0	0	110.5
167	Q	32.2	Very low	33.4	Very low	170 Å²	170	146 Å²	146	79%	0.794	77%	0.77	S	S	*	*			trans	-112.3	179.9	178.6	-77.8	-179.8	-51.8	0	0	110.3
168	N	33.2	Very low	33.6	Very low	161 Å²	161	143.7 Å²	143.7	86%	0.861	76%	0.762	S	S	*	*			trans	91.6	140.8	168.2	-56	-16.3	0	0	0	114.6
169	A	33.8	Very low	33.3	Very low	97 Å²	97	142.3 Å²	142.3	80%	0.802	76%	0.756	S	S	*	*			cis	-148.9	160	0.2	0	0	0	0	0	112.4
170	N	28.3	Very low	33.2	Very low	164 Å²	164	148 Å²	148	88%	0.877	76%	0.761	S	S	*	*			trans	-80	150.8	164	-82.2	-25.2	0	0	0	112
171	K	34	Very low	32.9	Very low	189 Å²	189	150.4 Å²	150.4	82%	0.822	77%	0.767	S	S	*	*			trans	-168.1	111.9	144	-101.4	-176.7	179	-176	0	107.5
172	T	33.5	Very low	32.7	Very low	119 Å²	119	147.5 Å²	147.5	73%	0.73	77%	0.765	S	S	*	*				63.4	149.5	90.2	61.7	0	0	0	0	115.8
173	V	35.3	Very low	32.6	Very low	127 Å²	127	148.5 Å²	148.5	77%	0.77	77%	0.767	S	S	*	*			trans	98.5	118.7	177.5	-176.4	0	0	0	0	114.3
174	D	34	Very low	32.8	Very low	140 Å²	140	149.5 Å²	149.5	75%	0.749	77%	0.77	S	S	*	*			cis	-164.2	-169.1	-22.4	-104.1	-21.7	0	0	0	111.6
175	S	33.4	Very low	32.8	Very low	97 Å²	97	148.3 Å²	148.3	68%	0.678	77%	0.772	S	S	*	*			trans	-42.2	173.4	166.7	-42.5	0	0	0	0	116.5
176	E	33.5	Very low	33.1	Very low	167 Å²	167	141.5 Å²	141.5	78%	0.78	76%	0.761	S	S	*	*			cis	-175.4	143	30.6	-152.7	158.2	-123.3	0	0	112.8
177	S	30.2	Very low	33.1	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	76%	0.756	S	S	*	*			trans	59.6	161.3	152	70.5	0	0	0	0	119.3
178	I	34.3	Very low	33.3	Very low	122 Å²	122	141.5 Å²	141.5	63%	0.626	75%	0.754	S	S	*	*			cis	-140.5	152.3	27.9	-75.8	176.5	0	0	0	111.6	W180	I178-W180 HydrophobicContact CG2-CD2 4.1Å; I178-W180 HydrophobicContact CG2-CH2 4.19Å; I178-W180 HydrophobicContact CG2-CZ2 3.67Å
179	N	31.1	Very low	33.4	Very low	117 Å²	117	137.1 Å²	137.1	63%	0.626	74%	0.741	S	S	*	*			trans	-104.5	144.2	175.7	173.6	18.8	0	0	0	111.1	M181	N179-M181 PolarHBondContact OD1-N 2.89Å
180	W	30.9	Very low	33.3	Very low	229 Å²	229	143.2 Å²	143.2	87%	0.867	74%	0.744	S	S	*	*			trans	-134.1	93.4	163.9	-68.8	-57.8	0	0	0	113	I178	I178-W180 HydrophobicContact CG2-CD2 4.1Å; I178-W180 HydrophobicContact CG2-CH2 4.19Å; I178-W180 HydrophobicContact CG2-CZ2 3.67Å
181	M	29.4	Very low	33.9	Very low	153 Å²	153	140.2 Å²	140.2	75%	0.754	73%	0.734	S	S	*	*			trans	-87.2	141.1	161.3	-72.5	162.1	48.2	0	0	111.4	N179	N179-M181 PolarHBondContact OD1-N 2.89Å
182	S	33.4	Very low	33.9	Very low	104 Å²	104	139 Å²	139	73%	0.727	73%	0.731	S	S	*	*			trans	165	146	147.6	-84.1	0	0	0	0	109.8
183	K	32.3	Very low	33.9	Very low	181 Å²	181	138.1 Å²	138.1	79%	0.787	73%	0.726	S	S	*	*			cis	-165.5	174.8	5.7	-120.5	165.9	-170	176	0	110.7
184	S	36.9	Very low	33.9	Very low	100 Å²	100	137.4 Å²	137.4	70%	0.699	72%	0.722	S	S	*	*			trans	62.3	139.9	159	46.6	0	0	0	0	117.4
185	D	35.8	Very low	33.8	Very low	156 Å²	156	138.7 Å²	138.7	83%	0.834	72%	0.721	S	S	*	*			cis	-161.9	163.7	-4	-103.9	-35.6	0	0	0	105.6
186	A	34.1	Very low	33.9	Very low	69 Å²	69	138.9 Å²	138.9	57%	0.57	71%	0.714	S	S	*	*			cis	-164.4	155.9	-11.7	0	0	0	0	0	107.2
187	R	35.1	Very low	33.8	Very low	216 Å²	216	137.1 Å²	137.1	82%	0.815	71%	0.706	S	S	*	*			trans	49.3	140	143	-65.3	174.6	175.3	-175.2	-3	119.8
188	Q	36.6	Very low	34	Very low	162 Å²	162	139.9 Å²	139.9	76%	0.757	71%	0.708	S	S	*	*			cis	-166.5	159.5	8.3	-119.8	156.3	-20	0	0	110.3
189	A	34.8	Very low	34	Very low	69 Å²	69	139.4 Å²	139.4	57%	0.57	72%	0.715	S	S	*	*			trans	-3	148.6	158.4	0	0	0	0	0	120.4
190	Y	33.2	Very low	34	Very low	224 Å²	224	141 Å²	141	88%	0.878	72%	0.722	S	S	*	*			cis	-148.4	148.4	37.1	-83.8	-96.6	0	0	0	114.1
191	P	39.7	Very low	34.2	Very low	101 Å²	101	135.7 Å²	135.7	66%	0.656	72%	0.717	S	S	*	*			trans	-105.1	-156.2	167.3	41.8	-33.6	0	0	0	112
192	Q	34.7	Very low	34.1	Very low	163 Å²	163	134.2 Å²	134.2	76%	0.762	71%	0.712	S	S	*	*			trans	89.5	138.8	-178.6	-49.3	-57.9	-8.3	0	0	113.6
193	T	34.1	Very low	34	Very low	102 Å²	102	139.9 Å²	139.9	63%	0.626	72%	0.719	S	S	*	*			cis	-163	145	15.3	1.4	0	0	0	0	111.8
194	T	33.6	Very low	33.8	Very low	111 Å²	111	137.6 Å²	137.6	68%	0.681	71%	0.711	S	S	*	*			trans	59.5	150.1	146.5	57.9	0	0	0	0	119.9
195	F	33.8	Very low	33.4	Very low	168 Å²	168	140 Å²	140	74%	0.737	72%	0.716	S	S	*	*			cis	-162.6	174.9	2.2	-108.8	179.6	0	0	0	106.3
196	N	34.3	Very low	33.1	Very low	100 Å²	100	135.2 Å²	135.2	54%	0.535	70%	0.704	S	S	.	*			cis	-152.3	136.4	1.4	-121.5	0.6	0	0	0	107.4
197	Q	30.9	Very low	32.9	Very low	131 Å²	131	141.4 Å²	141.4	61%	0.612	72%	0.72	S	S	*	*				73.9	141.4	87.5	-71.4	-172.2	-6.8	0	0	118.3
198	H	35.4	Very low	32.5	Very low	160 Å²	160	134.8 Å²	134.8	74%	0.741	72%	0.72	S	S	*	*			trans	84.4	126.4	169.6	-48.3	97.6	0	0	0	116.8
199	S	34.4	Very low	32.1	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	72%	0.723	S	S	*	*			cis	-155.9	153.7	-6.9	-82.1	0	0	0	0	113.1
200	I	30.2	Very low	31.6	Very low	152 Å²	152	134.9 Å²	134.9	78%	0.779	73%	0.734	S	S	*	*			trans	-84.8	163.6	172.8	-70.5	161.2	0	0	0	108.9	N202	I200-N202 HydrophobicContact CG2-CB 4.44Å
201	P	35.7	Very low	31.4	Very low	117 Å²	117	132 Å²	132	76%	0.76	73%	0.734	S	S	*	*			cis	-124.6	165.4	21.9	19.4	7.3	0	0	0	115.8
202	N	27.7	Very low	30.7	Very low	121 Å²	121	133.9 Å²	133.9	65%	0.647	74%	0.743	S	S	*	*			cis	83.8	95.5	35.3	-162.8	28	0	0	0	116.2	I200	I200-N202 HydrophobicContact CG2-CB 4.44Å
203	Y	30.6	Very low	30.4	Very low	224 Å²	224	131.8 Å²	131.8	88%	0.878	75%	0.746	S	S	*	*			trans	-152	99.8	149.2	-102.5	-82.1	0	0	0	105.5
204	Q	28.8	Very low	29.9	Very low	133 Å²	133	134.9 Å²	134.9	62%	0.621	76%	0.758	S	S	*	*				64.8	123.1	80.8	-86.3	-165.2	-18.1	0	0	116.5
205	N	28.6	Very low	29.6	Very low	151 Å²	151	134.8 Å²	134.8	81%	0.807	76%	0.762	S	S	*	*			trans	69.5	138.6	162.5	-46.6	-31.3	0	0	0	115.6
206	G	27.8	Very low	29.3	Very low	55 Å²	55	134.2 Å²	134.2	57%	0.567	77%	0.766	S	S	*	*			cis	140	145.1	5.5	0	0	0	0	0	109.7
207	H	31.4	Very low	29	Very low	198 Å²	198	136.8 Å²	136.8	92%	0.917	77%	0.773	S	S	*	*			trans	66.8	142.8	-177.5	-40.3	-84.4	0	0	0	113.8
208	G	25.8	Very low	28.8	Very low	78 Å²	78	138.2 Å²	138.2	80%	0.804	78%	0.779	S	S	*	*			cis	119.5	74.4	10.7	0	0	0	0	0	110.9
209	A	28.3	Very low	28.4	Very low	99 Å²	99	137.8 Å²	137.8	82%	0.818	78%	0.778	S	S	*	*			trans	-157.8	127.6	169.2	0	0	0	0	0	111.6
210	V	25.5	Very low	28.1	Very low	134 Å²	134	139.2 Å²	139.2	81%	0.812	78%	0.782	S	S	*	*			trans	-73.3	142.5	161.5	-79.3	0	0	0	0	109.8
211	N	27.5	Very low	27.9	Very low	164 Å²	164	137.7 Å²	137.7	88%	0.877	78%	0.78	S	S	*	*			trans	-160.1	130.9	146.7	-108.1	-37.1	0	0	0	112.3
212	V	25.9	Very low	27.7	Very low	140 Å²	140	139.3 Å²	139.3	85%	0.848	78%	0.782	S	S	*	*			trans	-90	137.7	167.3	-85.7	0	0	0	0	109.3
213	S	27.5	Very low	27.7	Very low	118 Å²	118	140.2 Å²	140.2	83%	0.825	79%	0.785	S	S	*	*			trans	-154	129	152.9	64.1	0	0	0	0	112.4
214	L	25.1	Very low	27.6	Very low	167 Å²	167	138.4 Å²	138.4	87%	0.874	79%	0.787	S	S	*	*			trans	-71.2	169.4	172.3	-110.6	68.7	0	0	0	112.9
215	S	26.8	Very low	27.4	Very low	110 Å²	110	138.8 Å²	138.8	77%	0.769	80%	0.799	S	S	*	*			trans	75.8	154.3	165	82.4	0	0	0	0	115.7
216	L	27.9	Very low	27.3	Very low	156 Å²	156	135 Å²	135	82%	0.817	80%	0.796	S	S	*	*			cis	-144.2	156.5	22	-170.4	64	0	0	0	114.5
217	F	26.4	Very low	27.2	Very low	153 Å²	153	139 Å²	139	67%	0.671	81%	0.809	S	S	*	*			trans	-65.2	140.3	178	-175.3	-91.5	0	0	0	115.4	Q219	F217-Q219 HydrophobicContact CE1-CG 3.99Å
218	Q	27.9	Very low	27	Very low	162 Å²	162	136.8 Å²	136.8	76%	0.757	80%	0.803	S	S	*	*			trans	-172.8	115.6	144.1	-102.4	149.5	101.1	0	0	108.6
219	Q	26	Very low	27	Very low	150 Å²	150	139.4 Å²	139.4	70%	0.701	80%	0.799	S	S	*	*				50	115.6	100	-67.4	-180	-3	0	0	112.9	F217	F217-Q219 HydrophobicContact CE1-CG 3.99Å
220	T	29.2	Very low	26.9	Very low	141 Å²	141	142.8 Å²	142.8	87%	0.865	80%	0.803	S	S	*	*				-150	149.8	84.9	29.3	0	0	0	0	114.6
221	T	26.2	Very low	26.9	Very low	121 Å²	121	141.1 Å²	141.1	74%	0.742	79%	0.794	S	S	*	*			trans	-87.6	141	169.8	47.5	0	0	0	0	111.7
222	N	31	Very low	26.8	Very low	151 Å²	151	137.3 Å²	137.3	81%	0.807	78%	0.78	S	S	*	*			trans	-157.6	98.9	153.9	-86.3	-38.6	0	0	0	106.4
223	I	28.1	Very low	26.8	Very low	139 Å²	139	142.5 Å²	142.5	71%	0.713	79%	0.786	S	S	*	*				47	97.1	84.9	-51.8	-178.4	0	0	0	112.3
224	M	27.5	Very low	26.8	Very low	187 Å²	187	145.8 Å²	145.8	92%	0.921	79%	0.786	S	S	*	*			trans	-146.4	117.5	139.5	-136.4	177.1	-81.7	0	0	109.7	G226	M224-G226 PolarHBondContact O-N 3.06Å
225	T	24.7	Very low	26.9	Very low	140 Å²	140	141 Å²	141	86%	0.859	78%	0.777	S	S	*	*			trans	-72.7	119.8	178.7	45.2	0	0	0	0	110.2
226	G	26.2	Very low	27.1	Very low	73 Å²	73	141.4 Å²	141.4	75%	0.753	78%	0.775	S	S	*	*			trans	-149.9	97.1	177.1	0	0	0	0	0	110.9	M224 L228	M224-G226 PolarHBondContact O-N 3.06Å; G226-L228 PolarHBondContact O-N 2.94Å
227	T	25.5	Very low	27.1	Very low	138 Å²	138	138.2 Å²	138.2	85%	0.847	78%	0.78	S	S	*	*			trans	-55.4	124	163.9	42.8	0	0	0	0	109.8
228	L	29	Very low	27.8	Very low	151 Å²	151	134.6 Å²	134.6	79%	0.791	77%	0.771	S	S	*	*			trans	-178.7	120.1	147.4	-96.4	154.4	0	0	0	110.9	G226	G226-L228 PolarHBondContact O-N 2.94Å
229	N	24.5	Very low	28.6	Very low	134 Å²	134	129.8 Å²	129.8	72%	0.717	76%	0.764	S	S	*	*			trans	64.8	112.9	145.1	-58.2	-9.9	0	0	0	121.8	T231	N229-T231 PolarHBondContact O-N 2.89Å
230	N	26.2	Very low	29.9	Very low	169 Å²	169	124.2 Å²	124.2	90%	0.904	74%	0.739	S	S	*	*	S	Bend	trans	-58.9	78.8	165	176.9	35.4	0	0	0	114.2
231	T	25.8	Very low	30.7	Very low	100 Å²	100	119 Å²	119	61%	0.613	71%	0.713	S	S	*	*			trans	-149.4	151.4	171	-48.5	0	0	0	0	111.6	N229 F234	N229-T231 PolarHBondContact O-N 2.89Å; T231-F234 HydrophobicContact CG2-CE2 3.9Å
232	S	26.2	Very low	32.4	Very low	84 Å²	84	123.4 Å²	123.4	59%	0.587	72%	0.716	S	S	*	*			trans	68.9	77	165	60.5	0	0	0	0	120.2
233	Y	25.8	Very low	34.5	Very low	248 Å²	248	118.9 Å²	118.9	97%	0.973	69%	0.69	S	S	*	*				-129.9	80.1	124.2	-109.6	-89.2	0	0	0	108	G235	Y233-G235 PolarHBondContact O-N 2.78Å
234	F	26.7	Very low	37.2	Very low	188 Å²	188	114.1 Å²	114.1	83%	0.825	67%	0.666	S	S	*	*			trans	-89.9	92.5	-174.8	-77.1	-74.4	0	0	0	111.8	T231	T231-F234 HydrophobicContact CG2-CE2 3.9Å
235	G	27.4	Very low	40.1	Very low	67 Å²	67	105.2 Å²	105.2	69%	0.691	62%	0.622	S	S	*	*			trans	-103.9	90.5	172.1	0	0	0	0	0	113	Y233	Y233-G235 PolarHBondContact O-N 2.78Å
236	T	31.8	Very low	43.1	Very low	117 Å²	117	101.8 Å²	101.8	72%	0.718	60%	0.596	S	S	*	*			trans	40.4	75	161.5	61	0	0	0	0	119.3	T238	T236-T238 PolarHBondContact O-N 2.81Å
237	G	27.8	Very low	46.1	Very low	90 Å²	90	98.5 Å²	98.5	93%	0.928	56%	0.562	S	S	*	*	S	Bend		59	27.3	124.2	0	0	0	0	0	120.4
238	T	40.6	Very low	48.7	Very low	77 Å²	77	97.4 Å²	97.4	47%	0.472	54%	0.542	S	S	.	.			trans	-123.6	149	166.7	65.4	0	0	0	0	110.5	T236 L240	T236-T238 PolarHBondContact O-N 2.81Å; T238-L240 PolarHBondContact O-N 3.27Å; T238-L240 WeakPolarHBondContact OG1-CD1 3.43Å; T238-L240 WeakPolarHBondContact OG1-CG 3.14Å
239	G	43.5	Very low	51	Low	60 Å²	60	93 Å²	93	62%	0.619	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-67	5.9	-179.2	0	0	0	0	0	115.2	G241 R242	G239-G241 PolarHBondContact O-N 2.6Å; G239-R242 PolarHBondContact O-N 3.28Å
240	L	53.6	Low	53.9	Low	34 Å²	34	91.8 Å²	91.8	18%	0.178	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-63.8	-37	-174.5	-63.2	179.4	0	0	0	112.8	T238 R242 Q243 V269 K272	T238-L240 PolarHBondContact O-N 3.27Å; T238-L240 WeakPolarHBondContact OG1-CD1 3.43Å; T238-L240 WeakPolarHBondContact OG1-CG 3.14Å; L240-R242 PolarHBondContact O-N 3.12Å; L240-Q243 WeakPolarHBondContact O-CB 3.17Å; L240-Q243 PolarHBondContact O-N 3.19Å; L240-V269 CarbonylContact C-O 3.51Å; L240-V269 VanDerWaalsContact C-O 3.28Å; L240-K272 HydrophobicContact CD1-CB 4.33Å; L240-K272 HydrophobicContact CD1-CG 4.12Å; L240-K272 HydrophobicContact CD2-CD 3.93Å; L240-K272 HydrophobicContact CD2-CG 4.32Å
241	G	47.7	Very low	56.8	Low	31 Å²	31	84.9 Å²	84.9	32%	0.32	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-60.1	-6.7	178.3	0	0	0	0	0	116.2	G239 R268 V269	G239-G241 PolarHBondContact O-N 2.6Å; G241-R268 WeakPolarHBondContact O-CD 3.39Å; G241-R268 PolarHBondContact O-NE 3.39Å; G241-V269 VanDerWaalsContact CA-O 3.32Å; G241-V269 WeakPolarHBondContact CA-O 3.39Å; G241-V269 PolarHBondContact N-O 2.98Å
242	R	61.5	Low	59.8	Low	214 Å²	214	84.5 Å²	84.5	81%	0.808	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-101.3	-11.5	171.8	-62.7	-176.5	-179.9	-179	0.8	113.5	G239 L240	G239-R242 PolarHBondContact O-N 3.28Å; L240-R242 PolarHBondContact O-N 3.12Å
243	Q	75.1	Confident	62.6	Low	56 Å²	56	82.2 Å²	82.2	26%	0.262	46%	0.457	S	S	.	.			trans	-78.6	124.4	177.5	-60.7	-174.6	2.2	0	0	109.2	L240 V269 L301	L240-Q243 WeakPolarHBondContact O-CB 3.17Å; L240-Q243 PolarHBondContact O-N 3.19Å; Q243-V269 HydrophobicContact CB-CB 4.39Å; Q243-V269 HydrophobicContact CB-CG2 4.5Å; Q243-V269 PolarHBondContact O-N 2.76Å; Q243-L301 HydrophobicContact CB-CD2 4.33Å
244	I	85.3	Confident	64.9	Low	38 Å²	38	75.1 Å²	75.1	20%	0.195	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.9	168.8	-60.9	175.4	0	0	0	106.6	K266 I267 I283 D302	I244-K266 HydrophobicContact CG2-CB 4.13Å; I244-K266 HydrophobicContact CG2-CG 4.49Å; I244-I267 WeakPolarHBondContact CA-O 3.46Å; I244-I283 HydrophobicContact CD1-CD1 4.06Å; I244-I283 HydrophobicContact CG1-CD1 4.13Å; I244-I283 HydrophobicContact CG2-CD1 4.16Å; I244-D302 HydrophobicContact CG2-CB 4.44Å; I244-D302 WeakPolarHBondContact O-CB 3.25Å; I244-D302 PolarHBondContact O-N 3.39Å
245	C	87.7	Confident	67.2	Low	0 Å²	0	71.3 Å²	71.3	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	160.6	165.7	59.6	0	0	0	0	110	K266 I267 V269 W278 V299 T300 L301	C245-K266 WeakPolarHBondContact O-CA 3.44Å; C245-I267 PolarHBondContact N-O 3.41Å; C245-I267 PolarHBondContact O-N 3.26Å; C245-V269 HydrophobicContact CB-CG2 4.25Å; C245-V269 VanDerWaalsContact SG-CG2 3.55Å; C245-W278 HydrophobicContact CB-CZ3 4.46Å; C245-V299 HydrophobicContact CB-CB 3.88Å; C245-V299 HydrophobicContact CB-CG2 3.83Å; C245-T300 CarbonylContact C-O 3.41Å; C245-T300 WeakPolarHBondContact CA-O 2.94Å; C245-T300 WeakPolarHBondContact CB-O 3.43Å; C245-L301 HydrophobicContact CB-CD2 4.28Å
246	Q	87.9	Confident	69.5	Low	69 Å²	69	74.3 Å²	74.3	32%	0.322	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.5	177.8	-178.1	167.7	-30.2	0	0	109.3	R248 D265 V299 T300	Q246-R248 PolarHBondContact O-N 3.07Å; Q246-D265 CarbonylContact C-O 3.39Å; Q246-D265 VanDerWaalsContact CA-O 3.26Å; Q246-D265 WeakPolarHBondContact CA-O 3.36Å; Q246-V299 CarbonylContact O-C 3.41Å; Q246-V299 VanDerWaalsContact O-CA 3.24Å; Q246-V299 WeakPolarHBondContact O-CA 3.42Å; Q246-T300 PolarHBondContact N-O 2.75Å; Q246-T300 PolarHBondContact O-N 3.16Å; Q246-T300 PolarHBondContact O-OG1 3.24Å
247	A	89	Confident	72	Confident	3 Å²	3	73 Å²	73	3%	0.025	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	125	177.4	0	0	0	0	0	111.2	I261 E262 G264 D265 Y298	A247-I261 HydrophobicContact CB-CB 4.29Å; A247-I261 HydrophobicContact CB-CD1 4.12Å; A247-I261 HydrophobicContact CB-CG1 4.45Å; A247-E262 VanDerWaalsContact CB-O 3.24Å; A247-E262 WeakPolarHBondContact CB-O 3.36Å; A247-G264 PolarHBondContact O-N 3.42Å; A247-D265 HydrophobicContact CB-CB 4.06Å; A247-D265 PolarHBondContact N-O 3.33Å; A247-Y298 CarbonylContact C-O 3.53Å; A247-Y298 WeakPolarHBondContact CA-O 3.25Å
248	R	79.1	Confident	75.1	Confident	115 Å²	115	70.2 Å²	70.2	43%	0.434	39%	0.386	S	S	.	.	S	Bend	trans	-80.8	-35.6	172.4	-66.9	-178.4	68.2	111.2	-1.7	111.8	Q246 R263 Y298 T300	Q246-R248 PolarHBondContact O-N 3.07Å; R248-R263 WeakPolarHBondContact O-CG 3.46Å; R248-Y298 PolarHBondContact N-O 2.95Å; R248-T300 HydrophobicContact CG-CG2 3.85Å
249	F	77.8	Confident	77.4	Confident	59 Å²	59	66.8 Å²	66.8	26%	0.259	37%	0.365	S	S	.	.	S	Bend	trans	-135.6	160.2	-169.9	-53.6	-74.3	0	0	0	110	Y298	F249-Y298 HydrophobicContact CB-CD1 3.69Å; F249-Y298 HydrophobicContact CB-CE1 4.11Å
250	N	86.3	Confident	79.7	Confident	109 Å²	109	66.5 Å²	66.5	58%	0.583	35%	0.353	S	S	*	.			trans	-77.4	138.1	172.8	-61	-5.8	0	0	0	109.5	I261 R263 Y298	N250-I261 CarbonylContact C-O 3.53Å; N250-I261 WeakPolarHBondContact CA-O 3.35Å; N250-R263 WeakPolarHBondContact OD1-CB 3.47Å; N250-R263 PolarHBondContact OD1-N 2.93Å; N250-Y298 WeakPolarHBondContact O-CE1 3.43Å
251	Y	86.4	Confident	81.5	Confident	24 Å²	24	65 Å²	65	9%	0.094	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-137.9	113.9	172.8	169	-101.5	0	0	0	109	E258 S260 I261 W277 F294 P295 Y298	Y251-E258 HydrophobicContact CE1-CB 4.48Å; Y251-E258 PolarHBondContact OH-OE1 2.71Å; Y251-E258 PolarHBondContact OH-OE2 3.37Å; Y251-S260 CarbonylContact O-C 3.57Å; Y251-S260 VanDerWaalsContact O-CA 3.25Å; Y251-S260 WeakPolarHBondContact O-CA 3.36Å; Y251-I261 HydrophobicContact CD1-CG1 4.31Å; Y251-I261 PolarHBondContact N-O 3.19Å; Y251-I261 PolarHBondContact O-N 3.4Å; Y251-W277 HydrophobicContact CE1-CZ3 4.48Å; Y251-W277 WeakPolarHBondContact OH-CH2 3.39Å; Y251-W277 VanDerWaalsContact OH-CZ3 3.25Å; Y251-W277 WeakPolarHBondContact OH-CZ3 3.36Å; Y251-F294 HydrophobicContact CD1-CB 4.49Å; Y251-P295 HydrophobicContact CD1-CG 4.3Å; Y251-P295 HydrophobicContact CD2-CG 3.75Å; Y251-P295 HydrophobicContact CE1-CG 4.37Å; Y251-P295 HydrophobicContact CE2-CG 3.86Å; Y251-P295 HydrophobicContact CG-CG 3.99Å; Y251-Y298 HydrophobicContact CD2-CE1 4.37Å; Y251-Y298 HydrophobicContact CG-CD1 4.49Å
252	P	87.9	Confident	83.4	Confident	92 Å²	92	69.8 Å²	69.8	60%	0.597	36%	0.359	S	S	*	.			trans	-81.4	132.1	171.9	32.2	-30.8	0	0	0	110.1	C254	P252-C254 PolarHBondContact O-N 3.34Å
253	A	86.5	Confident	84.6	Confident	35 Å²	35	68.9 Å²	68.9	29%	0.289	36%	0.356	S	S	.	.			trans	-61.8	125.2	170.2	0	0	0	0	0	111	E258 S260	A253-E258 HydrophobicContact CB-CB 3.69Å; A253-S260 WeakPolarHBondContact CB-OG 3.45Å; A253-S260 PolarHBondContact N-OG 3.12Å
254	C	73.7	Confident	85.2	Confident	99 Å²	99	68 Å²	68	67%	0.669	36%	0.361	S	S	*	.	S	Bend	trans	-92.1	-24.8	171.3	-65.8	0	0	0	0	112.3	P252 E258	P252-C254 PolarHBondContact O-N 3.34Å; C254-E258 WeakPolarHBondContact CA-OE2 3.2Å; C254-E258 WeakPolarHBondContact CB-OE2 3.36Å; C254-E258 PolarHBondContact N-OE2 3.05Å
255	Q	74.6	Confident	85.4	Confident	108 Å²	108	67.8 Å²	67.8	51%	0.505	36%	0.361	S	S	.	.	S	Bend	trans	-117.6	156	177.8	-57.7	-58.6	-37.9	0	0	112.8	D257 E258	Q255-D257 WeakPolarHBondContact CB-OD1 3.36Å; Q255-D257 PolarHBondContact O-N 2.8Å; Q255-E258 HydrophobicContact CB-CG 3.95Å; Q255-E258 PolarHBondContact N-OE2 3.36Å; Q255-E258 WeakPolarHBondContact O-CB 3.33Å; Q255-E258 PolarHBondContact O-N 3.43Å; Q255-E258 VanDerWaalsContact O-N 3.16Å
256	P	76	Confident	85.5	Confident	131 Å²	131	71 Å²	71	85%	0.851	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.9	-177.6	-21.6	34.3	0	0	0	115.4
257	D	84.7	Confident	85.7	Confident	89 Å²	89	67.7 Å²	67.7	48%	0.476	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-2.7	177.7	65.2	-50.9	0	0	0	113.5	Q255 G292 W293	Q255-D257 WeakPolarHBondContact CB-OD1 3.36Å; Q255-D257 PolarHBondContact O-N 2.8Å; D257-G292 CarbonylContact O-C 3.56Å; D257-G292 WeakPolarHBondContact O-CA 3.25Å; D257-W293 PolarHBondContact O-N 2.84Å
258	E	91.5	Very high	85.7	Confident	32 Å²	32	73.5 Å²	73.5	15%	0.15	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-84.6	154.2	174.1	-69.3	168.7	178.4	0	0	111.9	Y251 A253 C254 Q255 W277 W293	Y251-E258 HydrophobicContact CE1-CB 4.48Å; Y251-E258 PolarHBondContact OH-OE1 2.71Å; Y251-E258 PolarHBondContact OH-OE2 3.37Å; A253-E258 HydrophobicContact CB-CB 3.69Å; C254-E258 WeakPolarHBondContact CA-OE2 3.2Å; C254-E258 WeakPolarHBondContact CB-OE2 3.36Å; C254-E258 PolarHBondContact N-OE2 3.05Å; Q255-E258 HydrophobicContact CB-CG 3.95Å; Q255-E258 PolarHBondContact N-OE2 3.36Å; Q255-E258 WeakPolarHBondContact O-CB 3.33Å; Q255-E258 PolarHBondContact O-N 3.43Å; Q255-E258 VanDerWaalsContact O-N 3.16Å; E258-W277 HydrophobicContact CG-CH2 4.3Å; E258-W277 HydrophobicContact CG-CZ3 3.88Å; E258-W277 WeakPolarHBondContact OE1-CH2 3.48Å; E258-W293 CarbonylContact C-O 3.28Å; E258-W293 WeakPolarHBondContact CA-O 3.37Å
259	L	90.1	Very high	86.1	Confident	4 Å²	4	68 Å²	68	2%	0.021	36%	0.36	C	S	.	.			trans	-107.5	111.5	179.1	-178.3	64.8	0	0	0	109.8	I261 I267 L282 R290 W293 F294	L259-I261 HydrophobicContact CD2-CG2 3.96Å; L259-I261 HydrophobicContact CG-CG2 3.85Å; L259-I261 PolarHBondContact O-N 3.17Å; L259-I267 HydrophobicContact CD2-CG2 4.22Å; L259-L282 HydrophobicContact CD1-CB 4.26Å; L259-L282 HydrophobicContact CD2-CB 4.34Å; L259-R290 HydrophobicContact CD1-CB 3.72Å; L259-W293 PolarHBondContact N-O 3.08Å; L259-F294 HydrophobicContact CB-CD1 4.45Å; L259-F294 HydrophobicContact CD2-CD1 4.02Å
260	S	91	Very high	86.3	Confident	54 Å²	54	68 Å²	68	38%	0.378	36%	0.362	S	S	.	.			trans	-62.4	129.3	166.6	-56.8	0	0	0	0	110.2	Y251 A253	Y251-S260 CarbonylContact O-C 3.57Å; Y251-S260 VanDerWaalsContact O-CA 3.25Å; Y251-S260 WeakPolarHBondContact O-CA 3.36Å; A253-S260 WeakPolarHBondContact CB-OG 3.45Å; A253-S260 PolarHBondContact N-OG 3.12Å
261	I	91.1	Very high	86.3	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-130.8	138.7	179.7	57.8	171.8	0	0	0	110.3	A247 N250 Y251 L259 I267 F294 V299	A247-I261 HydrophobicContact CB-CB 4.29Å; A247-I261 HydrophobicContact CB-CD1 4.12Å; A247-I261 HydrophobicContact CB-CG1 4.45Å; N250-I261 CarbonylContact C-O 3.53Å; N250-I261 WeakPolarHBondContact CA-O 3.35Å; Y251-I261 HydrophobicContact CD1-CG1 4.31Å; Y251-I261 PolarHBondContact N-O 3.19Å; Y251-I261 PolarHBondContact O-N 3.4Å; L259-I261 HydrophobicContact CD2-CG2 3.96Å; L259-I261 HydrophobicContact CG-CG2 3.85Å; L259-I261 PolarHBondContact O-N 3.17Å; I261-I267 HydrophobicContact CB-CD1 4.26Å; I261-I267 HydrophobicContact CD1-CD1 4.18Å; I261-I267 HydrophobicContact CG2-CD1 3.63Å; I261-I267 HydrophobicContact CG2-CG1 4.19Å; I261-F294 HydrophobicContact CD1-CB 4.13Å; I261-F294 HydrophobicContact CD1-CD2 4.23Å; I261-F294 HydrophobicContact CD1-CG 4.37Å; I261-V299 HydrophobicContact CD1-CG1 3.98Å
262	E	89.5	Confident	86.2	Confident	132 Å²	132	69.2 Å²	69.2	62%	0.617	36%	0.364	S	S	*	.			trans	-108.6	147.8	178.1	-67.6	174.1	-155.2	0	0	110.3	A247 G264 D265	A247-E262 VanDerWaalsContact CB-O 3.24Å; A247-E262 WeakPolarHBondContact CB-O 3.36Å; E262-G264 PolarHBondContact O-N 3.49Å; E262-G264 VanDerWaalsContact O-N 3.13Å; E262-D265 PolarHBondContact N-OD2 3.03Å; E262-D265 WeakPolarHBondContact O-CB 3.44Å; E262-D265 PolarHBondContact O-N 3.43Å
263	R	86.3	Confident	85.8	Confident	196 Å²	196	66.4 Å²	66.4	74%	0.74	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	120.6	180	174.8	177.2	-178.4	-147.5	1.9	110.9	R248 N250	R248-R263 WeakPolarHBondContact O-CG 3.46Å; N250-R263 WeakPolarHBondContact OD1-CB 3.47Å; N250-R263 PolarHBondContact OD1-N 2.93Å
264	G	86.5	Confident	84.9	Confident	36 Å²	36	71.1 Å²	71.1	37%	0.371	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.4	-17.1	-176	0	0	0	0	0	114.7	A247 E262 K266	A247-G264 PolarHBondContact O-N 3.42Å; E262-G264 PolarHBondContact O-N 3.49Å; E262-G264 VanDerWaalsContact O-N 3.13Å; G264-K266 PolarHBondContact O-N 3Å
265	D	90	Very high	84.7	Confident	35 Å²	35	71.5 Å²	71.5	19%	0.187	37%	0.373	C	S	.	.			trans	-55.6	130.4	178.4	-88	-19.2	0	0	0	112	Q246 A247 E262 L282	Q246-D265 CarbonylContact C-O 3.39Å; Q246-D265 VanDerWaalsContact CA-O 3.26Å; Q246-D265 WeakPolarHBondContact CA-O 3.36Å; A247-D265 HydrophobicContact CB-CB 4.06Å; A247-D265 PolarHBondContact N-O 3.33Å; E262-D265 PolarHBondContact N-OD2 3.03Å; E262-D265 WeakPolarHBondContact O-CB 3.44Å; E262-D265 PolarHBondContact O-N 3.43Å; D265-L282 HydrophobicContact CB-CD1 3.53Å; D265-L282 WeakPolarHBondContact OD2-CD1 3.48Å
266	K	90.7	Very high	85	Confident	66 Å²	66	67.6 Å²	67.6	29%	0.287	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.3	172.2	-69.3	-170.3	-178.8	-67.7	0	109.7	I244 C245 G264 I283 D302	I244-K266 HydrophobicContact CG2-CB 4.13Å; I244-K266 HydrophobicContact CG2-CG 4.49Å; C245-K266 WeakPolarHBondContact O-CA 3.44Å; G264-K266 PolarHBondContact O-N 3Å; K266-I283 HydrophobicContact CB-CB 4.34Å; K266-I283 HydrophobicContact CB-CD1 4.27Å; K266-I283 WeakPolarHBondContact O-CA 3.49Å; K266-I283 WeakPolarHBondContact O-CB 3.27Å; K266-I283 WeakPolarHBondContact O-CG1 3.24Å; K266-I283 PolarHBondContact O-N 3.23Å; K266-D302 IonicContact NZ-OD2 2.8Å; K266-D302 PolarHBondContact NZ-OD2 3.34Å
267	I	90.7	Very high	85.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128	-173.8	-54.3	147.4	0	0	0	108.1	I244 C245 L259 I261 V269 I281 L282 F294 V299	I244-I267 WeakPolarHBondContact CA-O 3.46Å; C245-I267 PolarHBondContact N-O 3.41Å; C245-I267 PolarHBondContact O-N 3.26Å; L259-I267 HydrophobicContact CD2-CG2 4.22Å; I261-I267 HydrophobicContact CB-CD1 4.26Å; I261-I267 HydrophobicContact CD1-CD1 4.18Å; I261-I267 HydrophobicContact CG2-CD1 3.63Å; I261-I267 HydrophobicContact CG2-CG1 4.19Å; I267-V269 PolarHBondContact O-N 3.3Å; I267-I281 WeakPolarHBondContact CA-O 3.13Å; I267-L282 HydrophobicContact CG1-CD1 4.12Å; I267-F294 HydrophobicContact CD1-CE2 4.41Å; I267-F294 HydrophobicContact CD1-CZ 4.42Å; I267-F294 HydrophobicContact CG2-CD1 4.41Å; I267-F294 HydrophobicContact CG2-CE1 3.6Å; I267-F294 HydrophobicContact CG2-CZ 3.85Å; I267-V299 HydrophobicContact CD1-CG1 3.79Å
268	R	88.4	Confident	85.8	Confident	125 Å²	125	62.9 Å²	62.9	47%	0.472	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	114.9	168.6	171.1	177.5	-92.3	146.8	-0.1	107.8	G241 L270 G280 I281 I283	G241-R268 WeakPolarHBondContact O-CD 3.39Å; G241-R268 PolarHBondContact O-NE 3.39Å; R268-L270 HydrophobicContact CG-CD2 4.48Å; R268-L270 PolarHBondContact O-N 2.79Å; R268-G280 CarbonylContact O-C 3.6Å; R268-G280 WeakPolarHBondContact O-CA 3.44Å; R268-I281 PolarHBondContact N-O 2.75Å; R268-I281 PolarHBondContact O-N 3.43Å; R268-I283 HydrophobicContact CB-CD1 4.21Å; R268-I283 HydrophobicContact CB-CG1 4.3Å
269	V	87.4	Confident	85.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.2	176.1	-173.9	0	0	0	0	108.9	L240 G241 Q243 C245 I267 K272 W278	L240-V269 CarbonylContact C-O 3.51Å; L240-V269 VanDerWaalsContact C-O 3.28Å; G241-V269 VanDerWaalsContact CA-O 3.32Å; G241-V269 WeakPolarHBondContact CA-O 3.39Å; G241-V269 PolarHBondContact N-O 2.98Å; Q243-V269 HydrophobicContact CB-CB 4.39Å; Q243-V269 HydrophobicContact CB-CG2 4.5Å; Q243-V269 PolarHBondContact O-N 2.76Å; C245-V269 HydrophobicContact CB-CG2 4.25Å; C245-V269 VanDerWaalsContact SG-CG2 3.55Å; I267-V269 PolarHBondContact O-N 3.3Å; V269-K272 HydrophobicContact CG1-CD 4.48Å; V269-K272 HydrophobicContact CG1-CG 3.82Å; V269-W278 HydrophobicContact CG1-CE3 4.4Å; V269-W278 HydrophobicContact CG2-CE3 3.99Å; V269-W278 HydrophobicContact CG2-CZ3 4.38Å
270	L	83.3	Confident	85.7	Confident	58 Å²	58	65 Å²	65	30%	0.304	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-45.2	172.5	-59.9	-179.6	0	0	0	110.6	R268 R279 I281	R268-L270 HydrophobicContact CG-CD2 4.48Å; R268-L270 PolarHBondContact O-N 2.79Å; L270-R279 PolarHBondContact N-O 2.92Å; L270-I281 HydrophobicContact CD1-CD1 3.98Å; L270-I281 HydrophobicContact CD1-CG1 3.65Å; L270-I281 HydrophobicContact CD2-CD1 4.09Å; L270-I281 HydrophobicContact CD2-CG1 4.18Å; L270-I281 HydrophobicContact CG-CD1 4.43Å; L270-I281 HydrophobicContact CG-CG1 4.06Å
271	E	85.7	Confident	85.7	Confident	96 Å²	96	63.9 Å²	63.9	45%	0.449	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	150.9	-171.7	-170.9	161.3	-157.9	0	0	110.5	W278 R279 W293	E271-W278 CarbonylContact O-C 3.59Å; E271-W278 WeakPolarHBondContact O-CA 3.45Å; E271-R279 HydrophobicContact CB-CB 3.89Å; E271-R279 PolarHBondContact N-O 3.32Å; E271-R279 VanDerWaalsContact N-O 3.1Å; E271-R279 PolarHBondContact O-N 3.27Å; E271-W293 HydrophobicContact CG-CH2 4.23Å
272	K	85.5	Confident	85.6	Confident	64 Å²	64	64.1 Å²	64.1	28%	0.278	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	108.3	175.8	-64.7	-172.4	169.5	-178.1	0	107.9	L240 V269 W278	L240-K272 HydrophobicContact CD1-CB 4.33Å; L240-K272 HydrophobicContact CD1-CG 4.12Å; L240-K272 HydrophobicContact CD2-CD 3.93Å; L240-K272 HydrophobicContact CD2-CG 4.32Å; V269-K272 HydrophobicContact CG1-CD 4.48Å; V269-K272 HydrophobicContact CG1-CG 3.82Å; K272-W278 HydrophobicContact CB-CG 4.27Å; K272-W278 HydrophobicContact CD-CD2 4.03Å; K272-W278 HydrophobicContact CD-CH2 4.41Å; K272-W278 HydrophobicContact CD-CZ2 3.82Å; K272-W278 HydrophobicContact CG-CD2 3.81Å; K272-W278 HydrophobicContact CG-CG 3.79Å; K272-W278 HydrophobicContact CG-CZ2 4.46Å
273	S	78.6	Confident	85.5	Confident	33 Å²	33	61.6 Å²	61.6	23%	0.231	31%	0.307	C	S	.	.			trans	-80.3	156	173.2	-67.1	0	0	0	0	110.6	D275 W277 W293	S273-D275 VanDerWaalsContact C-N 3.28Å; S273-D275 WeakPolarHBondContact CB-OD1 3.32Å; S273-W277 VanDerWaalsContact CB-O 3.3Å; S273-W277 WeakPolarHBondContact CB-O 3.34Å; S273-W277 PolarHBondContact N-O 2.79Å; S273-W293 WeakPolarHBondContact OG-CH2 3.22Å; S273-W293 WeakPolarHBondContact OG-CZ3 3.49Å
274	S	66.8	Low	85.1	Confident	133 Å²	133	54.2 Å²	54.2	93%	0.93	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-10.9	-178.7	47	0	0	0	0	114	G276	S274-G276 PolarHBondContact O-N 2.89Å
275	D	69.5	Low	84.3	Confident	108 Å²	108	61.7 Å²	61.7	58%	0.578	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.5	174.2	53	21.9	0	0	0	113.5	S273 W277	S273-D275 VanDerWaalsContact C-N 3.28Å; S273-D275 WeakPolarHBondContact CB-OD1 3.32Å; D275-W277 WeakPolarHBondContact OD1-CB 3.4Å; D275-W277 PolarHBondContact OD1-N 2.92Å
276	G	81	Confident	82.9	Confident	26 Å²	26	64.3 Å²	64.3	27%	0.268	35%	0.345	S	S	.	.	S	Bend	trans	91	0.1	-177.1	0	0	0	0	0	114.7	S274 S296	S274-G276 PolarHBondContact O-N 2.89Å; G276-S296 WeakPolarHBondContact O-CB 3.3Å; G276-S296 PolarHBondContact O-N 2.9Å; G276-S296 PolarHBondContact O-OG 3.08Å
277	W	86.7	Confident	81.5	Confident	82 Å²	82	68.1 Å²	68.1	31%	0.311	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.5	175.5	-67.3	81.6	0	0	0	111.9	Y251 E258 S273 D275 W293	Y251-W277 HydrophobicContact CE1-CZ3 4.48Å; Y251-W277 WeakPolarHBondContact OH-CH2 3.39Å; Y251-W277 VanDerWaalsContact OH-CZ3 3.25Å; Y251-W277 WeakPolarHBondContact OH-CZ3 3.36Å; E258-W277 HydrophobicContact CG-CH2 4.3Å; E258-W277 HydrophobicContact CG-CZ3 3.88Å; E258-W277 WeakPolarHBondContact OE1-CH2 3.48Å; S273-W277 VanDerWaalsContact CB-O 3.3Å; S273-W277 WeakPolarHBondContact CB-O 3.34Å; S273-W277 PolarHBondContact N-O 2.79Å; D275-W277 WeakPolarHBondContact OD1-CB 3.4Å; D275-W277 PolarHBondContact OD1-N 2.92Å; W277-W293 HydrophobicContact CB-CE3 3.95Å; W277-W293 HydrophobicContact CE3-CB 3.92Å; W277-W293 HydrophobicContact CZ3-CB 4.45Å
278	W	91.6	Very high	80.1	Confident	38 Å²	38	73.2 Å²	73.2	14%	0.144	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.4	175.9	-68.5	3.5	0	0	0	109.7	C245 V269 E271 K272 W293 F294 S296 V299 L301	C245-W278 HydrophobicContact CB-CZ3 4.46Å; V269-W278 HydrophobicContact CG1-CE3 4.4Å; V269-W278 HydrophobicContact CG2-CE3 3.99Å; V269-W278 HydrophobicContact CG2-CZ3 4.38Å; E271-W278 CarbonylContact O-C 3.59Å; E271-W278 WeakPolarHBondContact O-CA 3.45Å; K272-W278 HydrophobicContact CB-CG 4.27Å; K272-W278 HydrophobicContact CD-CD2 4.03Å; K272-W278 HydrophobicContact CD-CH2 4.41Å; K272-W278 HydrophobicContact CD-CZ2 3.82Å; K272-W278 HydrophobicContact CG-CD2 3.81Å; K272-W278 HydrophobicContact CG-CG 3.79Å; K272-W278 HydrophobicContact CG-CZ2 4.46Å; W278-W293 CarbonylContact O-C 3.52Å; W278-W293 WeakPolarHBondContact O-CA 3.46Å; W278-F294 HydrophobicContact CB-CD2 4.47Å; W278-F294 HydrophobicContact CB-CE1 4.19Å; W278-F294 HydrophobicContact CB-CE2 3.82Å; W278-F294 HydrophobicContact CB-CZ 3.67Å; W278-F294 HydrophobicContact CE3-CE2 4.21Å; W278-F294 HydrophobicContact CE3-CZ 4.38Å; W278-F294 PolarHBondContact N-O 3.12Å; W278-F294 WeakPolarHBondContact O-CD1 3.44Å; W278-F294 WeakPolarHBondContact O-CE1 3.33Å; W278-F294 PolarHBondContact O-N 2.83Å; W278-S296 VanDerWaalsContact NE1-CB 3.3Å; W278-V299 HydrophobicContact CE3-CG2 3.91Å; W278-V299 HydrophobicContact CZ3-CG2 3.73Å; W278-L301 HydrophobicContact CH2-CD1 4.25Å; W278-L301 HydrophobicContact CH2-CD2 4.18Å; W278-L301 HydrophobicContact CH2-CG 4.05Å; W278-L301 HydrophobicContact CZ3-CD2 3.93Å; W278-L301 HydrophobicContact CZ3-CG 4.19Å
279	R	89.1	Confident	79.3	Confident	80 Å²	80	74.2 Å²	74.2	30%	0.302	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.6	173.8	-154.4	173.5	176.2	-102.2	-9.3	108.8	L270 E271 M291 G292 W293	L270-R279 PolarHBondContact N-O 2.92Å; E271-R279 HydrophobicContact CB-CB 3.89Å; E271-R279 PolarHBondContact N-O 3.32Å; E271-R279 VanDerWaalsContact N-O 3.1Å; E271-R279 PolarHBondContact O-N 3.27Å; R279-M291 PolarHBondContact NH2-SD 3.15Å; R279-M291 VanDerWaalsContact NH2-SD 3.36Å; R279-G292 WeakPolarHBondContact CA-O 3.22Å; R279-W293 HydrophobicContact CB-CD2 3.96Å; R279-W293 HydrophobicContact CB-CE3 3.69Å; R279-W293 HydrophobicContact CB-CH2 3.94Å; R279-W293 HydrophobicContact CB-CZ2 4.21Å; R279-W293 HydrophobicContact CB-CZ3 3.69Å; R279-W293 HydrophobicContact CG-CD2 4.05Å; R279-W293 HydrophobicContact CG-CE3 4.31Å; R279-W293 HydrophobicContact CG-CZ2 4.35Å
280	G	90.8	Very high	79	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	175.1	-179.2	0	0	0	0	0	114.2	R268 M291 G292	R268-G280 CarbonylContact O-C 3.6Å; R268-G280 WeakPolarHBondContact O-CA 3.44Å; G280-M291 VanDerWaalsContact O-CA 3.22Å; G280-M291 WeakPolarHBondContact O-CA 3.39Å; G280-M291 WeakPolarHBondContact O-CB 3.27Å; G280-G292 PolarHBondContact N-O 3.44Å; G280-G292 PolarHBondContact O-N 3.22Å
281	I	89.9	Confident	79.2	Confident	31 Å²	31	83.2 Å²	83.2	16%	0.159	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.2	172.1	-53.7	179.8	0	0	0	107.9	I267 R268 L270 I283 Q289 M291	I267-I281 WeakPolarHBondContact CA-O 3.13Å; R268-I281 PolarHBondContact N-O 2.75Å; R268-I281 PolarHBondContact O-N 3.43Å; L270-I281 HydrophobicContact CD1-CD1 3.98Å; L270-I281 HydrophobicContact CD1-CG1 3.65Å; L270-I281 HydrophobicContact CD2-CD1 4.09Å; L270-I281 HydrophobicContact CD2-CG1 4.18Å; L270-I281 HydrophobicContact CG-CD1 4.43Å; L270-I281 HydrophobicContact CG-CG1 4.06Å; I281-I283 PolarHBondContact O-N 3Å; I281-Q289 HydrophobicContact CG2-CB 3.94Å; I281-Q289 HydrophobicContact CG2-CG 4.22Å; I281-M291 HydrophobicContact CG1-CB 4.1Å
282	L	90.3	Very high	79.4	Confident	7 Å²	7	78.8 Å²	78.8	4%	0.037	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.2	175.1	-178.9	64.2	0	0	0	110.3	L259 D265 I267 T284 R290	L259-L282 HydrophobicContact CD1-CB 4.26Å; L259-L282 HydrophobicContact CD2-CB 4.34Å; D265-L282 HydrophobicContact CB-CD1 3.53Å; D265-L282 WeakPolarHBondContact OD2-CD1 3.48Å; I267-L282 HydrophobicContact CG1-CD1 4.12Å; L282-T284 HydrophobicContact CD2-CG2 3.89Å; L282-T284 HydrophobicContact CG-CG2 3.95Å; L282-T284 PolarHBondContact O-N 3.49Å; L282-R290 PolarHBondContact N-O 2.74Å
283	I	86.4	Confident	79.7	Confident	80 Å²	80	78.2 Å²	78.2	41%	0.41	42%	0.416	S	S	.	.			trans	-83.6	94.1	178.7	-52.7	175.1	0	0	0	107.7	I244 K266 R268 I281	I244-I283 HydrophobicContact CD1-CD1 4.06Å; I244-I283 HydrophobicContact CG1-CD1 4.13Å; I244-I283 HydrophobicContact CG2-CD1 4.16Å; K266-I283 HydrophobicContact CB-CB 4.34Å; K266-I283 HydrophobicContact CB-CD1 4.27Å; K266-I283 WeakPolarHBondContact O-CA 3.49Å; K266-I283 WeakPolarHBondContact O-CB 3.27Å; K266-I283 WeakPolarHBondContact O-CG1 3.24Å; K266-I283 PolarHBondContact O-N 3.23Å; R268-I283 HydrophobicContact CB-CD1 4.21Å; R268-I283 HydrophobicContact CB-CG1 4.3Å; I281-I283 PolarHBondContact O-N 3Å
284	T	78.7	Confident	80.3	Confident	41 Å²	41	76.7 Å²	76.7	25%	0.252	41%	0.405	S	S	.	.			trans	-116.8	137.5	172.8	41.7	0	0	0	0	111	L282 K287	L282-T284 HydrophobicContact CD2-CG2 3.89Å; L282-T284 HydrophobicContact CG-CG2 3.95Å; L282-T284 PolarHBondContact O-N 3.49Å; T284-K287 HydrophobicContact CG2-CD 4.29Å
285	E	68.4	Low	81.3	Confident	193 Å²	193	71 Å²	71	90%	0.902	36%	0.364	S	S	*	.	S	Bend	trans	-79.8	129.4	171.2	-62.9	-175.4	176.3	0	0	109.2	K287	E285-K287 VanDerWaalsContact C-N 3.26Å; E285-K287 PolarHBondContact O-N 3.41Å; E285-K287 VanDerWaalsContact O-N 3.16Å
286	G	60.9	Low	82.2	Confident	90 Å²	90	67.1 Å²	67.1	93%	0.928	35%	0.346	S	S	*	.	S	Bend	trans	71.4	1.1	175	0	0	0	0	0	117.5
287	K	61.3	Low	82.3	Confident	145 Å²	145	69.8 Å²	69.8	63%	0.63	35%	0.354	S	S	*	.	S	Bend	trans	-110.1	155.7	178.4	-68.5	177.3	-177.4	174.3	0	111.6	T284 E285	T284-K287 HydrophobicContact CG2-CD 4.29Å; E285-K287 VanDerWaalsContact C-N 3.26Å; E285-K287 PolarHBondContact O-N 3.41Å; E285-K287 VanDerWaalsContact O-N 3.16Å
288	P	62.2	Low	82.3	Confident	107 Å²	107	69.2 Å²	69.2	70%	0.695	35%	0.352	S	S	*	.			trans	-61.4	137.7	175.1	25.4	-34.7	0	0	0	111.1	R290	P288-R290 PolarHBondContact O-N 2.98Å
289	Q	71.2	Confident	82.1	Confident	147 Å²	147	68 Å²	68	69%	0.687	35%	0.349	S	S	*	.			trans	-63.5	108.1	179.7	-69	-177.7	10.6	0	0	110.4	I281	I281-Q289 HydrophobicContact CG2-CB 3.94Å; I281-Q289 HydrophobicContact CG2-CG 4.22Å
290	R	81.3	Confident	81.6	Confident	149 Å²	149	67 Å²	67	56%	0.562	35%	0.352	S	S	*	.			trans	-86.8	132.9	169.2	-66.2	-159.4	-82.9	-135.7	5.9	109.5	L259 L282 P288	L259-R290 HydrophobicContact CD1-CB 3.72Å; L282-R290 PolarHBondContact N-O 2.74Å; P288-R290 PolarHBondContact O-N 2.98Å
291	M	86.9	Confident	81	Confident	98 Å²	98	70.3 Å²	70.3	48%	0.483	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.8	177.2	75.6	175.1	76.6	0	0	109.9	R279 G280 I281	R279-M291 PolarHBondContact NH2-SD 3.15Å; R279-M291 VanDerWaalsContact NH2-SD 3.36Å; G280-M291 VanDerWaalsContact O-CA 3.22Å; G280-M291 WeakPolarHBondContact O-CA 3.39Å; G280-M291 WeakPolarHBondContact O-CB 3.27Å; I281-M291 HydrophobicContact CG1-CB 4.1Å
292	G	90	Very high	79.7	Confident	2 Å²	2	70 Å²	70	2%	0.021	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-176.4	178.9	0	0	0	0	0	111.9	D257 R279 G280	D257-G292 CarbonylContact O-C 3.56Å; D257-G292 WeakPolarHBondContact O-CA 3.25Å; R279-G292 WeakPolarHBondContact CA-O 3.22Å; G280-G292 PolarHBondContact N-O 3.44Å; G280-G292 PolarHBondContact O-N 3.22Å
293	W	93	Very high	77.6	Confident	53 Å²	53	75.3 Å²	75.3	20%	0.201	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	137.8	174.1	-64.9	105.9	0	0	0	111.6	D257 E258 L259 E271 S273 W277 W278 R279	D257-W293 PolarHBondContact O-N 2.84Å; E258-W293 CarbonylContact C-O 3.28Å; E258-W293 WeakPolarHBondContact CA-O 3.37Å; L259-W293 PolarHBondContact N-O 3.08Å; E271-W293 HydrophobicContact CG-CH2 4.23Å; S273-W293 WeakPolarHBondContact OG-CH2 3.22Å; S273-W293 WeakPolarHBondContact OG-CZ3 3.49Å; W277-W293 HydrophobicContact CB-CE3 3.95Å; W277-W293 HydrophobicContact CE3-CB 3.92Å; W277-W293 HydrophobicContact CZ3-CB 4.45Å; W278-W293 CarbonylContact O-C 3.52Å; W278-W293 WeakPolarHBondContact O-CA 3.46Å; R279-W293 HydrophobicContact CB-CD2 3.96Å; R279-W293 HydrophobicContact CB-CE3 3.69Å; R279-W293 HydrophobicContact CB-CH2 3.94Å; R279-W293 HydrophobicContact CB-CZ2 4.21Å; R279-W293 HydrophobicContact CB-CZ3 3.69Å; R279-W293 HydrophobicContact CG-CD2 4.05Å; R279-W293 HydrophobicContact CG-CE3 4.31Å; R279-W293 HydrophobicContact CG-CZ2 4.35Å
294	F	91	Very high	75.4	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.9	172.3	59.8	-87.1	0	0	0	109.8	Y251 L259 I261 I267 W278 S296 V299	Y251-F294 HydrophobicContact CD1-CB 4.49Å; L259-F294 HydrophobicContact CB-CD1 4.45Å; L259-F294 HydrophobicContact CD2-CD1 4.02Å; I261-F294 HydrophobicContact CD1-CB 4.13Å; I261-F294 HydrophobicContact CD1-CD2 4.23Å; I261-F294 HydrophobicContact CD1-CG 4.37Å; I267-F294 HydrophobicContact CD1-CE2 4.41Å; I267-F294 HydrophobicContact CD1-CZ 4.42Å; I267-F294 HydrophobicContact CG2-CD1 4.41Å; I267-F294 HydrophobicContact CG2-CE1 3.6Å; I267-F294 HydrophobicContact CG2-CZ 3.85Å; W278-F294 HydrophobicContact CB-CD2 4.47Å; W278-F294 HydrophobicContact CB-CE1 4.19Å; W278-F294 HydrophobicContact CB-CE2 3.82Å; W278-F294 HydrophobicContact CB-CZ 3.67Å; W278-F294 HydrophobicContact CE3-CE2 4.21Å; W278-F294 HydrophobicContact CE3-CZ 4.38Å; W278-F294 PolarHBondContact N-O 3.12Å; W278-F294 WeakPolarHBondContact O-CD1 3.44Å; W278-F294 WeakPolarHBondContact O-CE1 3.33Å; W278-F294 PolarHBondContact O-N 2.83Å; F294-S296 PolarHBondContact O-N 3.34Å; F294-V299 HydrophobicContact CD2-CG1 3.81Å; F294-V299 HydrophobicContact CE2-CB 4.37Å; F294-V299 HydrophobicContact CE2-CG1 3.6Å; F294-V299 HydrophobicContact CE2-CG2 3.81Å
295	P	86.6	Confident	73.6	Confident	13 Å²	13	80.4 Å²	80.4	8%	0.084	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.8	179.4	27.2	-35.4	0	0	0	111.4	Y251 N297 Y298	Y251-P295 HydrophobicContact CD1-CG 4.3Å; Y251-P295 HydrophobicContact CD2-CG 3.75Å; Y251-P295 HydrophobicContact CE1-CG 4.37Å; Y251-P295 HydrophobicContact CE2-CG 3.86Å; Y251-P295 HydrophobicContact CG-CG 3.99Å; P295-N297 VanDerWaalsContact C-N 3.29Å; P295-N297 WeakPolarHBondContact CB-OD1 3.35Å; P295-N297 PolarHBondContact O-N 2.9Å; P295-Y298 HydrophobicContact CB-CD2 3.81Å; P295-Y298 HydrophobicContact CB-CE2 4.25Å; P295-Y298 HydrophobicContact CG-CD2 3.37Å; P295-Y298 HydrophobicContact CG-CE2 3.81Å; P295-Y298 HydrophobicContact CG-CG 3.86Å; P295-Y298 WeakPolarHBondContact O-CB 3.42Å; P295-Y298 PolarHBondContact O-N 2.84Å
296	S	87.9	Confident	71.9	Confident	28 Å²	28	76.5 Å²	76.5	20%	0.196	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-67.3	-23.4	-170.4	58.7	0	0	0	0	115	G276 W278 F294 Y298 V299	G276-S296 WeakPolarHBondContact O-CB 3.3Å; G276-S296 PolarHBondContact O-N 2.9Å; G276-S296 PolarHBondContact O-OG 3.08Å; W278-S296 VanDerWaalsContact NE1-CB 3.3Å; F294-S296 PolarHBondContact O-N 3.34Å; S296-Y298 PolarHBondContact O-N 2.93Å; S296-V299 VanDerWaalsContact O-CG2 3.28Å; S296-V299 WeakPolarHBondContact O-CG2 3.49Å; S296-V299 PolarHBondContact O-N 3.34Å
297	N	83.6	Confident	70.5	Confident	82 Å²	82	79 Å²	79	44%	0.439	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-71.9	-14.4	173.2	60.5	-45.9	0	0	0	113.6	P295 V299	P295-N297 VanDerWaalsContact C-N 3.29Å; P295-N297 WeakPolarHBondContact CB-OD1 3.35Å; P295-N297 PolarHBondContact O-N 2.9Å; N297-V299 VanDerWaalsContact C-N 3.26Å; N297-V299 PolarHBondContact O-N 2.91Å
298	Y	87.6	Confident	69	Low	69 Å²	69	79.2 Å²	79.2	27%	0.271	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-82	-2.4	175.7	-76.9	-115.6	0	0	0	113.1	A247 R248 F249 N250 Y251 P295 S296	A247-Y298 CarbonylContact C-O 3.53Å; A247-Y298 WeakPolarHBondContact CA-O 3.25Å; R248-Y298 PolarHBondContact N-O 2.95Å; F249-Y298 HydrophobicContact CB-CD1 3.69Å; F249-Y298 HydrophobicContact CB-CE1 4.11Å; N250-Y298 WeakPolarHBondContact O-CE1 3.43Å; Y251-Y298 HydrophobicContact CD2-CE1 4.37Å; Y251-Y298 HydrophobicContact CG-CD1 4.49Å; P295-Y298 HydrophobicContact CB-CD2 3.81Å; P295-Y298 HydrophobicContact CB-CE2 4.25Å; P295-Y298 HydrophobicContact CG-CD2 3.37Å; P295-Y298 HydrophobicContact CG-CE2 3.81Å; P295-Y298 HydrophobicContact CG-CG 3.86Å; P295-Y298 WeakPolarHBondContact O-CB 3.42Å; P295-Y298 PolarHBondContact O-N 2.84Å; S296-Y298 PolarHBondContact O-N 2.93Å
299	V	86.9	Confident	67.6	Low	13 Å²	13	85.7 Å²	85.7	8%	0.079	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.4	-178.1	-57.2	0	0	0	0	113	C245 Q246 I261 I267 W278 F294 S296 N297	C245-V299 HydrophobicContact CB-CB 3.88Å; C245-V299 HydrophobicContact CB-CG2 3.83Å; Q246-V299 CarbonylContact O-C 3.41Å; Q246-V299 VanDerWaalsContact O-CA 3.24Å; Q246-V299 WeakPolarHBondContact O-CA 3.42Å; I261-V299 HydrophobicContact CD1-CG1 3.98Å; I267-V299 HydrophobicContact CD1-CG1 3.79Å; W278-V299 HydrophobicContact CE3-CG2 3.91Å; W278-V299 HydrophobicContact CZ3-CG2 3.73Å; F294-V299 HydrophobicContact CD2-CG1 3.81Å; F294-V299 HydrophobicContact CE2-CB 4.37Å; F294-V299 HydrophobicContact CE2-CG1 3.6Å; F294-V299 HydrophobicContact CE2-CG2 3.81Å; S296-V299 VanDerWaalsContact O-CG2 3.28Å; S296-V299 WeakPolarHBondContact O-CG2 3.49Å; S296-V299 PolarHBondContact O-N 3.34Å; N297-V299 VanDerWaalsContact C-N 3.26Å; N297-V299 PolarHBondContact O-N 2.91Å
300	T	79.2	Confident	65.6	Low	60 Å²	60	84.8 Å²	84.8	37%	0.368	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.3	160.7	42	0	0	0	0	110.3	C245 Q246 R248 D302	C245-T300 CarbonylContact C-O 3.41Å; C245-T300 WeakPolarHBondContact CA-O 2.94Å; C245-T300 WeakPolarHBondContact CB-O 3.43Å; Q246-T300 PolarHBondContact N-O 2.75Å; Q246-T300 PolarHBondContact O-N 3.16Å; Q246-T300 PolarHBondContact O-OG1 3.24Å; R248-T300 HydrophobicContact CG-CG2 3.85Å; T300-D302 PolarHBondContact O-N 2.66Å
301	L	78.8	Confident	63.1	Low	68 Å²	68	81.5 Å²	81.5	36%	0.356	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.4	166.3	-75	169.7	0	0	0	109.5	Q243 C245 W278 L303	Q243-L301 HydrophobicContact CB-CD2 4.33Å; C245-L301 HydrophobicContact CB-CD2 4.28Å; W278-L301 HydrophobicContact CH2-CD1 4.25Å; W278-L301 HydrophobicContact CH2-CD2 4.18Å; W278-L301 HydrophobicContact CH2-CG 4.05Å; W278-L301 HydrophobicContact CZ3-CD2 3.93Å; W278-L301 HydrophobicContact CZ3-CG 4.19Å; L301-L303 VanDerWaalsContact C-N 3.32Å; L301-L303 HydrophobicContact CB-CD1 3.97Å; L301-L303 WeakPolarHBondContact O-CD1 3.44Å; L301-L303 PolarHBondContact O-N 2.89Å
302	D	60.7	Low	60.5	Low	25 Å²	25	82.1 Å²	82.1	13%	0.134	46%	0.455	C	S	.	.			trans	-81.6	79.7	177.7	-167.2	-7.7	0	0	0	108.9	I244 K266 T300 S304	I244-D302 HydrophobicContact CG2-CB 4.44Å; I244-D302 WeakPolarHBondContact O-CB 3.25Å; I244-D302 PolarHBondContact O-N 3.39Å; K266-D302 IonicContact NZ-OD2 2.8Å; K266-D302 PolarHBondContact NZ-OD2 3.34Å; T300-D302 PolarHBondContact O-N 2.66Å; D302-S304 PolarHBondContact O-N 2.71Å; D302-S304 WeakPolarHBondContact OD1-CB 3.45Å; D302-S304 PolarHBondContact OD1-N 3.17Å; D302-S304 PolarHBondContact OD1-OG 3.43Å
303	L	46.8	Very low	57.8	Low	118 Å²	118	87.8 Å²	87.8	62%	0.618	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-62.4	-18.1	179.4	-84.8	92.4	0	0	0	112.8	L301 K305 N306	L301-L303 VanDerWaalsContact C-N 3.32Å; L301-L303 HydrophobicContact CB-CD1 3.97Å; L301-L303 WeakPolarHBondContact O-CD1 3.44Å; L301-L303 PolarHBondContact O-N 2.89Å; L303-K305 PolarHBondContact O-N 3.02Å; L303-N306 PolarHBondContact O-N 2.68Å; L303-N306 VanDerWaalsContact O-N 3.1Å
304	S	39.7	Very low	55	Low	90 Å²	90	90.4 Å²	90.4	63%	0.629	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-59.7	-14	-177.2	77	0	0	0	0	114.3	D302	D302-S304 PolarHBondContact O-N 2.71Å; D302-S304 WeakPolarHBondContact OD1-CB 3.45Å; D302-S304 PolarHBondContact OD1-N 3.17Å; D302-S304 PolarHBondContact OD1-OG 3.43Å
305	K	41	Very low	52.3	Low	138 Å²	138	99.2 Å²	99.2	60%	0.6	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-113.4	11.4	-179.4	-58.3	-171.4	-178.6	-174.8	0	115	L303	L303-K305 PolarHBondContact O-N 3.02Å
306	N	33.2	Very low	49.5	Very low	111 Å²	111	104.7 Å²	104.7	59%	0.594	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-11.9	172.4	-89.6	-78.9	0	0	0	114.9	L303 N308	L303-N306 PolarHBondContact O-N 2.68Å; L303-N306 VanDerWaalsContact O-N 3.1Å; N306-N308 VanDerWaalsContact C-N 3.35Å; N306-N308 PolarHBondContact O-N 2.93Å; N306-N308 VanDerWaalsContact O-N 3.17Å
307	L	32.5	Very low	46.9	Very low	143 Å²	143	108.5 Å²	108.5	75%	0.749	62%	0.624	S	S	*	*			trans	-87.6	70.6	171.6	-72.1	86.7	0	0	0	110.9
308	N	29.2	Very low	44.4	Very low	149 Å²	149	111.8 Å²	111.8	80%	0.797	64%	0.64	S	S	*	*	S	Bend	trans	-165.4	61.5	167	-106.2	-24.3	0	0	0	112.3	N306	N306-N308 VanDerWaalsContact C-N 3.35Å; N306-N308 PolarHBondContact O-N 2.93Å; N306-N308 VanDerWaalsContact O-N 3.17Å
309	R	33	Very low	41.7	Very low	243 Å²	243	115.4 Å²	115.4	92%	0.917	66%	0.663	S	S	*	*			trans	-176.2	80.7	157	-112.5	172.5	-81.3	-145.8	-2.6	113.8
310	S	29.5	Very low	39	Very low	129 Å²	129	121.1 Å²	121.1	90%	0.902	69%	0.693	S	S	*	*			trans	-155.9	86.3	166.3	50.7	0	0	0	0	109.9
311	G	28.6	Very low	36.5	Very low	80 Å²	80	123.3 Å²	123.3	83%	0.825	71%	0.711	S	S	*	*			trans	155.9	76.3	-177.7	0	0	0	0	0	114.1
312	S	32.4	Very low	34.2	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	73%	0.729	S	S	*	*			trans	164.8	104.5	142.7	-175	0	0	0	0	109.3
313	S	32	Very low	33	Very low	121 Å²	121	129.4 Å²	129.4	85%	0.846	76%	0.757	S	S	*	*			trans	-96.7	107.7	167.2	52.7	0	0	0	0	108.9
314	S	35	Very low	32.1	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	77%	0.766	S	S	*	*			trans	-140.5	142.4	168.5	-70.8	0	0	0	0	109.6
315	Q	34.4	Very low	31.6	Very low	185 Å²	185	132.8 Å²	132.8	86%	0.864	77%	0.768	S	S	*	*			trans	-70.8	162	-168.2	-79	-173.8	-46	0	0	114.6
316	P	26.7	Very low	31.1	Very low	127 Å²	127	136.4 Å²	136.4	83%	0.825	78%	0.777	S	S	*	*			trans	-81.8	125.8	175.4	32.8	-33.4	0	0	0	112.7
317	S	33.6	Very low	31.2	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	79%	0.787	S	S	*	*			trans	-136.1	109.6	154.3	41.5	0	0	0	0	106.4
318	I	31.8	Very low	31.1	Very low	152 Å²	152	136.9 Å²	136.9	78%	0.779	79%	0.785	S	S	*	*				67.8	109.8	90.6	-67.3	175.7	0	0	0	111.8
319	L	31.1	Very low	31.3	Very low	145 Å²	145	137.1 Å²	137.1	76%	0.759	79%	0.786	S	S	*	*			trans	84.5	116.8	163.3	-63.2	166.2	0	0	0	120.6
320	N	29.5	Very low	31.3	Very low	132 Å²	132	133.4 Å²	133.4	71%	0.706	78%	0.784	S	S	*	*			trans	67.7	106.1	133.1	-62.8	-3.1	0	0	0	122.2
321	S	26.3	Very low	31.3	Very low	107 Å²	107	134.8 Å²	134.8	75%	0.748	78%	0.781	S	S	*	*				46.8	103.2	111.9	-46.9	0	0	0	0	119.6
322	S	31.7	Very low	31.5	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	78%	0.781	S	S	*	*				161	146.3	108.4	59.5	0	0	0	0	113.6
323	T	33.9	Very low	31.3	Very low	116 Å²	116	137.9 Å²	137.9	71%	0.712	78%	0.784	S	S	*	*			trans	52.8	110.3	154.7	50.4	0	0	0	0	119
324	L	29.2	Very low	31.2	Very low	155 Å²	155	138 Å²	138	81%	0.812	78%	0.781	S	S	*	*				76.4	139.4	72.1	-78.3	174.8	0	0	0	115.5
325	N	29.7	Very low	30.9	Very low	124 Å²	124	140 Å²	140	66%	0.663	78%	0.783	S	S	*	*			trans	78.1	116.5	173.2	-62.6	-32.1	0	0	0	115.8
326	R	30.3	Very low	30.9	Very low	213 Å²	213	138.6 Å²	138.6	80%	0.804	78%	0.78	S	S	*	*				73.4	128	94.9	-68.3	-176.6	-177.9	174.5	-0.8	110.5
327	D	34.3	Very low	31	Very low	148 Å²	148	137.1 Å²	137.1	79%	0.791	77%	0.773	S	S	*	*				-156.7	-172.2	53	-100.1	-51.7	0	0	0	114
328	V	31.6	Very low	30.8	Very low	117 Å²	117	138.6 Å²	138.6	71%	0.709	77%	0.772	S	S	*	*			trans	-95	160.2	-168	-123.9	0	0	0	0	113.8
329	N	32.2	Very low	31.3	Very low	154 Å²	154	135.5 Å²	135.5	82%	0.824	76%	0.761	S	S	*	*			trans	70.8	108.6	162.2	-51.8	-27.7	0	0	0	118.2
330	D	33.2	Very low	31.7	Very low	164 Å²	164	136.4 Å²	136.4	88%	0.877	76%	0.761	S	S	*	*				-149.6	156.7	120.5	-152.7	-3	0	0	0	111.4
331	L	30.7	Very low	32.1	Very low	159 Å²	159	135.9 Å²	135.9	83%	0.832	76%	0.759	S	S	*	*			trans	-104.4	132.6	-170.6	-72	151.5	0	0	0	111.7
332	S	32.7	Very low	32.8	Very low	119 Å²	119	136.7 Å²	136.7	83%	0.832	75%	0.751	S	S	*	*			trans	-174.5	128.1	142.3	30	0	0	0	0	112.1
333	V	27.7	Very low	33.5	Very low	137 Å²	137	137.2 Å²	137.2	83%	0.83	74%	0.744	S	S	*	*			trans	-126.9	129.3	175.9	174.9	0	0	0	0	109
334	P	30.5	Very low	34.1	Very low	122 Å²	122	137.6 Å²	137.6	79%	0.792	74%	0.738	S	S	*	*			trans	-92.9	149.4	154.6	-12.2	30.7	0	0	0	112.2
335	N	28.2	Very low	34.7	Very low	150 Å²	150	133.1 Å²	133.1	80%	0.802	72%	0.723	S	S	*	*			trans	-82.5	-173.4	-166.1	-165.3	3.5	0	0	0	114.1
336	I	33.1	Very low	35.5	Very low	156 Å²	156	133.4 Å²	133.4	80%	0.8	72%	0.72	S	S	*	*			trans	102.1	118.3	172.5	-54.8	156.1	0	0	0	112.7
337	S	29	Very low	36.2	Very low	96 Å²	96	130.7 Å²	130.7	67%	0.671	71%	0.711	S	S	*	*			cis	-164.3	119.7	-12.7	48.6	0	0	0	0	109.3
338	N	29.8	Very low	37.4	Very low	139 Å²	139	128.8 Å²	128.8	74%	0.743	70%	0.7	S	S	*	*			trans	-94.5	133.7	177.4	-78.8	-11.1	0	0	0	111.6
339	T	43.5	Very low	37.9	Very low	88 Å²	88	126.2 Å²	126.2	54%	0.54	69%	0.691	S	S	.	*			trans	-77.8	149.3	177	46.4	0	0	0	0	112.3	D341 Q342	T339-D341 PolarHBondContact O-N 3.32Å; T339-Q342 PolarHBondContact O-N 3.06Å
340	Q	38	Very low	38.5	Very low	164 Å²	164	126.7 Å²	126.7	77%	0.766	68%	0.683	S	S	*	*	H	α-helix	trans	-53.9	-27.9	-178.3	-100.5	157.2	-80.6	0	0	114	Q342 I343 Q344	Q340-Q342 VanDerWaalsContact C-N 3.31Å; Q340-Q342 PolarHBondContact O-N 3.31Å; Q340-I343 PolarHBondContact O-N 2.93Å; Q340-Q344 PolarHBondContact O-N 3.23Å
341	D	37.7	Very low	39.1	Very low	121 Å²	121	123 Å²	123	65%	0.647	66%	0.66	S	S	*	*	H	α-helix	trans	-61.6	-32.5	-177.5	-52.5	-58.2	0	0	0	113.9	T339 A345	T339-D341 PolarHBondContact O-N 3.32Å; D341-A345 WeakPolarHBondContact O-CB 3.37Å; D341-A345 PolarHBondContact O-N 2.59Å
342	Q	42.1	Very low	39.6	Very low	124 Å²	124	120.7 Å²	120.7	58%	0.579	64%	0.641	S	S	*	*	H	α-helix	trans	-72.2	-37.3	176.9	-73.5	-171.9	26.4	0	0	112.1	T339 Q340 A345 Q346	T339-Q342 PolarHBondContact O-N 3.06Å; Q340-Q342 VanDerWaalsContact C-N 3.31Å; Q340-Q342 PolarHBondContact O-N 3.31Å; Q342-A345 PolarHBondContact O-N 3.43Å; Q342-Q346 WeakPolarHBondContact O-CB 3.47Å; Q342-Q346 PolarHBondContact O-N 3.33Å
343	I	46.6	Very low	39.9	Very low	115 Å²	115	122.9 Å²	122.9	59%	0.59	63%	0.632	S	S	*	*	H	α-helix	trans	-70.4	-39.8	176.5	-61.8	175.2	0	0	0	109.6	Q340 Q346 Y347	Q340-I343 PolarHBondContact O-N 2.93Å; I343-Q346 PolarHBondContact O-N 3.42Å; I343-Y347 WeakPolarHBondContact O-CB 3.41Å; I343-Y347 PolarHBondContact O-N 3.4Å
344	Q	45.9	Very low	40.7	Very low	125 Å²	125	121.8 Å²	121.8	58%	0.584	62%	0.622	S	S	*	*	H	α-helix	trans	-58.9	-48.4	173.7	-159.8	89.4	-2.8	0	0	111.3	Q340 Q346 Y347 L348	Q340-Q344 PolarHBondContact O-N 3.23Å; Q344-Q346 PolarHBondContact O-N 2.76Å; Q344-Y347 PolarHBondContact O-N 2.99Å; Q344-L348 HydrophobicContact CG-CD1 4.25Å; Q344-L348 WeakPolarHBondContact O-CB 3.37Å; Q344-L348 VanDerWaalsContact O-CG 3.31Å; Q344-L348 WeakPolarHBondContact O-CG 3.19Å; Q344-L348 PolarHBondContact O-N 3.02Å
345	A	42.9	Very low	41.5	Very low	61 Å²	61	123.1 Å²	123.1	50%	0.504	62%	0.618	S	S	.	*	H	α-helix	trans	-64.5	-39.2	178.4	0	0	0	0	0	112.7	D341 Q342 A349	D341-A345 WeakPolarHBondContact O-CB 3.37Å; D341-A345 PolarHBondContact O-N 2.59Å; Q342-A345 PolarHBondContact O-N 3.43Å; A345-A349 WeakPolarHBondContact O-CB 3.29Å; A345-A349 PolarHBondContact O-N 3.11Å
346	Q	44.6	Very low	42.2	Very low	129 Å²	129	122 Å²	122	60%	0.603	61%	0.608	S	S	*	*	H	α-helix	trans	-72	-35.2	178.7	-162.6	163.6	22.4	0	0	112.2	Q342 I343 Q344 Y350	Q342-Q346 WeakPolarHBondContact O-CB 3.47Å; Q342-Q346 PolarHBondContact O-N 3.33Å; I343-Q346 PolarHBondContact O-N 3.42Å; Q344-Q346 PolarHBondContact O-N 2.76Å; Q346-Y350 PolarHBondContact O-N 3.37Å; Q346-Y350 VanDerWaalsContact O-N 3.12Å
347	Y	46.9	Very low	42.5	Very low	156 Å²	156	121.5 Å²	121.5	61%	0.612	60%	0.602	S	S	*	*	H	α-helix	trans	-70.8	-41.1	174.7	-160.6	-91.9	0	0	0	112.2	I343 Q344 Y350 Q351	I343-Y347 WeakPolarHBondContact O-CB 3.41Å; I343-Y347 PolarHBondContact O-N 3.4Å; Q344-Y347 PolarHBondContact O-N 2.99Å; Y347-Y350 PolarHBondContact O-N 2.89Å; Y347-Q351 HydrophobicContact CD1-CG 3.99Å; Y347-Q351 HydrophobicContact CE1-CG 3.87Å; Y347-Q351 WeakPolarHBondContact O-CG 3.35Å; Y347-Q351 PolarHBondContact O-N 2.8Å
348	L	58.1	Low	42.7	Very low	108 Å²	108	121.8 Å²	121.8	57%	0.565	60%	0.603	S	S	*	*	H	α-helix	trans	-62.9	-41.4	173.1	-74.6	167.2	0	0	0	111.6	Q344 Y350 Q351 Y352	Q344-L348 HydrophobicContact CG-CD1 4.25Å; Q344-L348 WeakPolarHBondContact O-CB 3.37Å; Q344-L348 VanDerWaalsContact O-CG 3.31Å; Q344-L348 WeakPolarHBondContact O-CG 3.19Å; Q344-L348 PolarHBondContact O-N 3.02Å; L348-Y350 VanDerWaalsContact C-N 3.32Å; L348-Y350 PolarHBondContact O-N 2.89Å; L348-Q351 PolarHBondContact O-N 2.84Å; L348-Y352 WeakPolarHBondContact O-CB 3.49Å; L348-Y352 PolarHBondContact O-N 2.91Å
349	A	43	Very low	42.8	Very low	63 Å²	63	123.4 Å²	123.4	52%	0.521	61%	0.611	S	S	.	*	H	α-helix	trans	-61.7	-37.6	174.7	0	0	0	0	0	112.8	A345 Y353	A345-A349 WeakPolarHBondContact O-CB 3.29Å; A345-A349 PolarHBondContact O-N 3.11Å; A349-Y353 PolarHBondContact O-N 2.89Å
350	Y	44.2	Very low	42.4	Very low	164 Å²	164	126.8 Å²	126.8	64%	0.643	63%	0.626	S	S	*	*	H	α-helix	trans	-68.8	-45.6	174.5	-101.6	-81.7	0	0	0	112.7	Q346 Y347 L348 Y352 Y353 D354	Q346-Y350 PolarHBondContact O-N 3.37Å; Q346-Y350 VanDerWaalsContact O-N 3.12Å; Y347-Y350 PolarHBondContact O-N 2.89Å; L348-Y350 VanDerWaalsContact C-N 3.32Å; L348-Y350 PolarHBondContact O-N 2.89Å; Y350-Y352 VanDerWaalsContact C-N 3.27Å; Y350-Y352 PolarHBondContact O-N 2.79Å; Y350-Y353 WeakPolarHBondContact O-CB 3.11Å; Y350-Y353 PolarHBondContact O-N 2.96Å; Y350-Y353 VanDerWaalsContact O-N 3.11Å; Y350-D354 PolarHBondContact O-N 3.28Å
351	Q	46.6	Very low	42.1	Very low	87 Å²	87	125 Å²	125	41%	0.407	63%	0.629	S	S	.	*	H	α-helix	trans	-60.5	-37.1	176.7	-74.5	-70.4	-43	0	0	112.4	Y347 L348 Y353 Q355	Y347-Q351 HydrophobicContact CD1-CG 3.99Å; Y347-Q351 HydrophobicContact CE1-CG 3.87Å; Y347-Q351 WeakPolarHBondContact O-CG 3.35Å; Y347-Q351 PolarHBondContact O-N 2.8Å; L348-Q351 PolarHBondContact O-N 2.84Å; Q351-Y353 VanDerWaalsContact C-N 3.33Å; Q351-Q355 PolarHBondContact O-N 2.87Å
352	Y	40.8	Very low	41.8	Very low	111 Å²	111	122.7 Å²	122.7	44%	0.435	63%	0.634	S	S	.	*	H	α-helix	trans	-71.9	-28	177.1	-147.7	-79.4	0	0	0	112.5	L348 Y350 D429	L348-Y352 WeakPolarHBondContact O-CB 3.49Å; L348-Y352 PolarHBondContact O-N 2.91Å; Y350-Y352 VanDerWaalsContact C-N 3.27Å; Y350-Y352 PolarHBondContact O-N 2.79Å; Y352-D429 PolarHBondContact OH-OD1 2.84Å
353	Y	38.5	Very low	41.1	Very low	164 Å²	164	121.7 Å²	121.7	64%	0.643	64%	0.64	S	S	*	*	H	α-helix	trans	-73.1	-40.2	177.1	-160.1	-89.5	0	0	0	112.4	A349 Y350 Q351	A349-Y353 PolarHBondContact O-N 2.89Å; Y350-Y353 WeakPolarHBondContact O-CB 3.11Å; Y350-Y353 PolarHBondContact O-N 2.96Å; Y350-Y353 VanDerWaalsContact O-N 3.11Å; Q351-Y353 VanDerWaalsContact C-N 3.33Å
354	D	44	Very low	40.3	Very low	115 Å²	115	123.5 Å²	123.5	62%	0.615	65%	0.65	S	S	*	*	H	α-helix	trans	-69.8	-32.3	175.9	-95	-25.9	0	0	0	112.7	Y350 Q356 H357	Y350-D354 PolarHBondContact O-N 3.28Å; D354-Q356 VanDerWaalsContact C-N 3.32Å; D354-Q356 PolarHBondContact O-N 2.76Å; D354-H357 PolarHBondContact O-N 2.85Å
355	Q	47.7	Very low	39.5	Very low	150 Å²	150	122.9 Å²	122.9	70%	0.701	65%	0.654	S	S	*	*	H	α-helix	trans	-68.9	-24.9	178.9	-78.2	-173.6	19	0	0	114.3	Q351	Q351-Q355 PolarHBondContact O-N 2.87Å
356	Q	43.3	Very low	38.9	Very low	127 Å²	127	127.9 Å²	127.9	59%	0.593	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-5.7	179.3	-64.4	-158.1	-8.8	0	0	114.3	D354	D354-Q356 VanDerWaalsContact C-N 3.32Å; D354-Q356 PolarHBondContact O-N 2.76Å
357	H	40.2	Very low	38.1	Very low	145 Å²	145	127.3 Å²	127.3	67%	0.671	67%	0.668	S	S	*	*	S	Bend	trans	-125.8	39	-175.3	-76.9	-59.8	0	0	0	114.4	D354	D354-H357 PolarHBondContact O-N 2.85Å
358	S	32.3	Very low	37.2	Very low	101 Å²	101	126.8 Å²	126.8	71%	0.706	67%	0.671	S	S	*	*			trans	-120.9	105.7	162.2	-174.4	0	0	0	0	110.4
359	L	32.4	Very low	35.8	Very low	174 Å²	174	128.7 Å²	128.7	91%	0.911	68%	0.677	S	S	*	*			trans	-175.4	122.2	148.2	-101.2	167.5	0	0	0	110.3
360	N	35.2	Very low	35.1	Very low	158 Å²	158	134 Å²	134	85%	0.845	69%	0.692	S	S	*	*			trans	-77.5	157.4	177.7	-78.7	-48.9	0	0	0	112.4
361	P	30.7	Very low	34.2	Very low	127 Å²	127	131.5 Å²	131.5	83%	0.825	69%	0.693	S	S	*	*			trans	-91.7	148.2	-178.9	35.5	-34.3	0	0	0	114.5
362	G	31.9	Very low	33.4	Very low	73 Å²	73	135.1 Å²	135.1	75%	0.753	71%	0.71	S	S	*	*			trans	106.6	148.4	168.2	0	0	0	0	0	114.7
363	S	28.3	Very low	33	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	73%	0.73	S	S	*	*			cis	-171.6	125.5	-8.8	45.3	0	0	0	0	111.8
364	I	29.6	Very low	32.8	Very low	153 Å²	153	138.9 Å²	138.9	79%	0.785	74%	0.737	S	S	*	*			trans	72.1	137.7	144	-46.6	159.1	0	0	0	119.9
365	T	29.2	Very low	32.5	Very low	111 Å²	111	138.1 Å²	138.1	68%	0.681	74%	0.739	S	S	*	*			trans	73.9	103.5	157.1	37.6	0	0	0	0	123.7
366	E	28.6	Very low	31.9	Very low	166 Å²	166	138.1 Å²	138.1	78%	0.776	74%	0.739	S	S	*	*				68	143.1	112.4	-70.5	-170.9	165.3	0	0	125.2
367	N	28.9	Very low	31.5	Very low	117 Å²	117	139.4 Å²	139.4	63%	0.626	75%	0.748	S	S	*	*			trans	88.9	94.5	152.7	-71.2	-50	0	0	0	122.2
368	Q	28.4	Very low	31	Very low	145 Å²	145	138.9 Å²	138.9	68%	0.678	75%	0.75	S	S	*	*				58.5	117.6	116.5	-69.4	-173.7	85.6	0	0	122.6
369	Q	27.4	Very low	31.2	Very low	148 Å²	148	140.3 Å²	140.3	69%	0.692	75%	0.754	S	S	*	*			trans	81.9	141	131.5	-65.9	176.5	18.2	0	0	122
370	Q	28	Very low	31.2	Very low	176 Å²	176	142.1 Å²	142.1	82%	0.822	75%	0.749	S	S	*	*			trans	69.5	152.3	155.9	-75.2	-177.5	16.7	0	0	118.9
371	V	26.5	Very low	31.1	Very low	111 Å²	111	140 Å²	140	67%	0.673	74%	0.738	S	S	*	*			cis	-168.7	146.8	-29.4	103.8	0	0	0	0	109
372	H	29.7	Very low	31.2	Very low	162 Å²	162	141.3 Å²	141.3	75%	0.75	74%	0.738	S	S	*	*			trans	60.2	139.2	164.6	-76.9	54	0	0	0	118.5
373	Q	31.7	Very low	31.4	Very low	183 Å²	183	141.1 Å²	141.1	86%	0.855	74%	0.736	S	S	*	*				-173.2	159.4	61.4	-130.7	152.3	116.5	0	0	113.1
374	Q	34.8	Very low	31.6	Very low	171 Å²	171	142.4 Å²	142.4	80%	0.799	74%	0.739	S	S	*	*			trans	-99.4	-157.2	172.2	-121.2	-177.2	32.3	0	0	109.4
375	P	38.6	Very low	32.1	Very low	100 Å²	100	142.3 Å²	142.3	65%	0.649	74%	0.74	S	S	*	*			cis	-146.7	170	10.9	37.9	-14.7	0	0	0	120.3
376	Q	33.7	Very low	32.8	Very low	150 Å²	150	142.2 Å²	142.2	70%	0.701	74%	0.742	S	S	*	*			trans	48	158	140.5	-61.9	-174.2	59.6	0	0	122.7
377	L	35.2	Very low	32.8	Very low	153 Å²	153	139.2 Å²	139.2	80%	0.801	74%	0.737	S	S	*	*			cis	-150.2	-150.2	39.4	-75.7	163.6	0	0	0	111.9
378	L	30.5	Very low	32.7	Very low	135 Å²	135	139.9 Å²	139.9	71%	0.707	75%	0.749	S	S	*	*				-159.3	175.7	-88.9	-153.5	132	0	0	0	111.7
379	V	36.7	Very low	32.8	Very low	130 Å²	130	140.6 Å²	140.6	79%	0.788	75%	0.752	S	S	*	*			trans	86	144.1	166	-171.5	0	0	0	0	118.5
380	R	31.6	Very low	32.9	Very low	212 Å²	212	142.4 Å²	142.4	80%	0.8	76%	0.761	S	S	*	*			cis	-172.7	133.6	-37.3	-174.9	171.6	-174.8	-173.3	5.1	112.5
381	N	33.6	Very low	32.8	Very low	115 Å²	115	137.4 Å²	137.4	62%	0.615	76%	0.756	S	S	*	*			trans	78.2	130.1	151.5	-80.6	24	0	0	0	126.2
382	N	33.4	Very low	32.9	Very low	153 Å²	153	140.6 Å²	140.6	82%	0.818	76%	0.763	S	S	*	*			trans	87.6	113.9	137.6	-67.8	8	0	0	0	122.4
383	G	34.1	Very low	32.9	Very low	69 Å²	69	141.6 Å²	141.6	71%	0.711	77%	0.769	S	S	*	*			trans	155.3	94.4	153.5	0	0	0	0	0	116.1
384	T	33.3	Very low	33.3	Very low	130 Å²	130	139.5 Å²	139.5	80%	0.798	76%	0.759	S	S	*	*			trans	41.7	102.5	151.5	34.6	0	0	0	0	120.2
385	D	39.8	Very low	33.7	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	76%	0.757	S	S	*	*				170.2	159.7	103	-85.6	-13.6	0	0	0	113.2
386	P	43.7	Very low	34.8	Very low	110 Å²	110	138.5 Å²	138.5	71%	0.714	75%	0.745	S	S	*	*			trans	-94.4	173.5	-154.1	38.3	-37	0	0	0	115.5
387	P	28.5	Very low	36.9	Very low	103 Å²	103	134.3 Å²	134.3	67%	0.669	73%	0.726	S	S	*	*			trans	-87.8	131.9	-154.9	33.6	-34.5	0	0	0	114.6	H389	P387-H389 PolarHBondContact O-N 2.9Å
388	C	27.9	Very low	39.2	Very low	131 Å²	131	129 Å²	129	89%	0.885	70%	0.7	S	S	*	*			trans	-77.1	99.7	162.8	-60.7	0	0	0	0	110
389	H	30.2	Very low	41.6	Very low	160 Å²	160	122.6 Å²	122.6	74%	0.741	67%	0.666	S	S	*	*			trans	-53.6	155.2	143.9	-62.7	-98.4	0	0	0	107.9	P387	P387-H389 PolarHBondContact O-N 2.9Å
390	E	29.2	Very low	43.7	Very low	186 Å²	186	118.1 Å²	118.1	87%	0.869	64%	0.639	S	S	*	*				-161.9	144.4	70.7	-79.5	172.4	139.3	0	0	110.5
391	G	26	Very low	46	Very low	70 Å²	70	108 Å²	108	72%	0.722	60%	0.601	S	S	*	*			trans	-75.3	130.2	178.2	0	0	0	0	0	111.6	Q393	G391-Q393 PolarHBondContact O-N 2.83Å
392	Q	29.4	Very low	47.7	Very low	178 Å²	178	105 Å²	105	83%	0.832	58%	0.584	S	S	*	*			trans	-65.8	96.6	165.1	-69.7	-178.9	-6	0	0	108.8	Q394	Q392-Q394 VanDerWaalsContact C-N 3.31Å; Q392-Q394 PolarHBondContact O-N 3.28Å
393	Q	29.4	Very low	49.8	Very low	184 Å²	184	103.1 Å²	103.1	86%	0.86	57%	0.566	S	S	*	*			trans	-67.2	93.6	167.2	-67.3	179.5	12.5	0	0	107.8	G391 Q395	G391-Q393 PolarHBondContact O-N 2.83Å; Q393-Q395 PolarHBondContact O-N 2.86Å
394	Q	39.1	Very low	52	Low	138 Å²	138	103.7 Å²	103.7	65%	0.645	56%	0.558	S	S	*	*			trans	-61.9	111.2	168.3	-68.6	-179.5	0.3	0	0	107.1	Q392 H396	Q392-Q394 VanDerWaalsContact C-N 3.31Å; Q392-Q394 PolarHBondContact O-N 3.28Å; Q394-H396 PolarHBondContact O-CD2 2.83Å; Q394-H396 PolarHBondContact O-N 3.05Å
395	Q	43.9	Very low	54.6	Low	165 Å²	165	98.9 Å²	98.9	77%	0.771	53%	0.526	S	S	*	.			trans	-68.2	99.5	171.8	-79.4	-176.4	-34.5	0	0	107.6	Q393 E397	Q393-Q395 PolarHBondContact O-N 2.86Å; Q395-E397 PolarHBondContact O-N 2.67Å
396	H	60.8	Low	56.9	Low	86 Å²	86	97.6 Å²	97.6	40%	0.398	52%	0.523	S	S	.	.			trans	-70.5	112.1	177.4	-62.9	-179.7	0	0	0	109	Q394 E422	Q394-H396 PolarHBondContact O-CD2 2.83Å; Q394-H396 PolarHBondContact O-N 3.05Å; H396-E422 HydrophobicContact CB-CG 3.94Å; H396-E422 IonicContact CE1-OE1 3.84Å; H396-E422 IonicContact CG-OE1 2.86Å; H396-E422 IonicContact ND1-OE1 3.25Å; H396-E422 PolarHBondContact ND1-OE1 2.79Å
397	E	78.9	Confident	59.1	Low	62 Å²	62	98.8 Å²	98.8	29%	0.29	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.3	177.4	-175.7	-179.2	157.2	0	0	109.3	Q395 V423 K426 V453	Q395-E397 PolarHBondContact O-N 2.67Å; E397-V423 HydrophobicContact CB-CB 4.2Å; E397-V423 HydrophobicContact CB-CG2 4.42Å; E397-V423 WeakPolarHBondContact O-CB 3.47Å; E397-V423 WeakPolarHBondContact O-CG2 3.44Å; E397-V423 PolarHBondContact O-N 2.85Å; E397-K426 IonicContact OE1-NZ 3.69Å; E397-K426 PolarHBondContact OE1-NZ 3.16Å; E397-K426 WeakPolarHBondContact OE2-CE 2.83Å; E397-K426 IonicContact OE2-NZ 3.17Å; E397-K426 PolarHBondContact OE2-NZ 2.77Å; E397-V453 HydrophobicContact CG-CG1 3.79Å; E397-V453 VanDerWaalsContact OE1-CG1 3.26Å; E397-V453 WeakPolarHBondContact OE1-CG1 3.38Å; E397-V453 WeakPolarHBondContact OE1-CG2 3.24Å
398	T	82.3	Confident	61.5	Low	41 Å²	41	98.2 Å²	98.2	25%	0.252	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146.2	178.6	6.1	0	0	0	0	110.4	V420 F454	T398-V420 HydrophobicContact CG2-CG1 4.03Å; T398-F454 PolarHBondContact O-N 3.11Å
399	V	82.1	Confident	64.2	Low	0 Å²	0	97.9 Å²	97.9	0%	0	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.6	178.6	-64.1	0	0	0	0	110.9	V420 L421 V423 W434 V451 S452 V453	V399-V420 WeakPolarHBondContact O-CA 3.5Å; V399-L421 HydrophobicContact CG2-CB 3.78Å; V399-L421 WeakPolarHBondContact CG2-O 3.47Å; V399-L421 PolarHBondContact N-O 2.9Å; V399-L421 PolarHBondContact O-N 2.9Å; V399-V423 HydrophobicContact CB-CG2 4.36Å; V399-V423 HydrophobicContact CG1-CG2 3.46Å; V399-V423 VanDerWaalsContact CG1-CG2 3.46Å; V399-V423 HydrophobicContact CG2-CG2 4.05Å; V399-W434 HydrophobicContact CG1-CE3 4.18Å; V399-W434 HydrophobicContact CG1-CZ3 3.8Å; V399-V451 HydrophobicContact CB-CB 4Å; V399-V451 HydrophobicContact CB-CG1 4.42Å; V399-V451 HydrophobicContact CG1-CB 4.48Å; V399-V451 HydrophobicContact CG2-CB 4.04Å; V399-V451 HydrophobicContact CG2-CG1 3.96Å; V399-V451 HydrophobicContact CG2-CG2 4.47Å; V399-S452 CarbonylContact C-O 3.59Å; V399-S452 WeakPolarHBondContact CA-O 3.4Å; V399-S452 WeakPolarHBondContact CB-O 3.33Å; V399-V453 HydrophobicContact CG1-CG2 4.19Å
400	V	80	Confident	66.6	Low	36 Å²	36	94.8 Å²	94.8	22%	0.218	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.2	170.5	62.2	0	0	0	0	109.8	V451 S452	V400-V451 CarbonylContact O-C 3.24Å; V400-V451 VanDerWaalsContact O-CA 3.3Å; V400-V451 WeakPolarHBondContact O-CA 3.44Å; V400-S452 PolarHBondContact N-O 3.43Å; V400-S452 PolarHBondContact O-N 2.92Å
401	T	80	Confident	69.4	Low	0 Å²	0	89 Å²	89	0%	0	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.8	179.2	60	0	0	0	0	111.4	F415 G416 N418 E419 L421 Y450 V451	T401-F415 HydrophobicContact CG2-CB 4.08Å; T401-F415 HydrophobicContact CG2-CD1 4.4Å; T401-F415 HydrophobicContact CG2-CD2 3.19Å; T401-F415 HydrophobicContact CG2-CE2 3.55Å; T401-F415 HydrophobicContact CG2-CG 3.65Å; T401-F415 HydrophobicContact CG2-CZ 4.31Å; T401-G416 WeakPolarHBondContact CB-O 3.48Å; T401-G416 PolarHBondContact OG1-O 3Å; T401-N418 WeakPolarHBondContact O-CA 3.03Å; T401-N418 PolarHBondContact O-N 2.84Å; T401-N418 PolarHBondContact OG1-N 2.9Å; T401-N418 VanDerWaalsContact OG1-N 3.15Å; T401-E419 HydrophobicContact CG2-CB 4.36Å; T401-E419 WeakPolarHBondContact CG2-O 3.26Å; T401-E419 PolarHBondContact N-O 3.28Å; T401-E419 PolarHBondContact OG1-N 2.81Å; T401-E419 PolarHBondContact OG1-O 2.88Å; T401-L421 HydrophobicContact CG2-CD1 3.56Å; T401-L421 HydrophobicContact CG2-CG 3.94Å; T401-Y450 CarbonylContact C-O 3.59Å; T401-Y450 WeakPolarHBondContact CA-O 3.45Å; T401-V451 HydrophobicContact CG2-CG1 3.87Å
402	L	69.8	Low	72.6	Confident	51 Å²	51	86.3 Å²	86.3	27%	0.267	45%	0.451	S	S	.	.	S	Bend	trans	-91.5	-23.9	-176.2	-62.8	177.2	0	0	0	113.5	Y450	L402-Y450 PolarHBondContact N-O 2.74Å
403	Y	78	Confident	75.5	Confident	114 Å²	114	78.2 Å²	78.2	45%	0.447	41%	0.414	S	S	.	.	S	Bend	trans	-145.5	151.8	-177.5	-50.6	-70.5	0	0	0	108.7	F415 Y450	Y403-F415 WeakPolarHBondContact O-CE2 3.21Å; Y403-Y450 HydrophobicContact CD2-CD1 4.3Å; Y403-Y450 HydrophobicContact CD2-CG 4.42Å
404	P	80	Confident	78.5	Confident	81 Å²	81	71.2 Å²	71.2	53%	0.526	39%	0.385	S	S	.	.			trans	-66.3	142	171.7	29.6	-34.2	0	0	0	110.6
405	F	87.2	Confident	80.9	Confident	30 Å²	30	65 Å²	65	13%	0.132	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-134.9	130.7	178.3	-177.7	-99.3	0	0	0	110.8	E412 L413 S414 F415 W433 P447 Y450	F405-E412 HydrophobicContact CE1-CB 4.32Å; F405-L413 WeakPolarHBondContact CD1-O 3.39Å; F405-S414 WeakPolarHBondContact O-CA 3.42Å; F405-F415 HydrophobicContact CB-CD1 4.12Å; F405-F415 HydrophobicContact CB-CD2 3.85Å; F405-F415 HydrophobicContact CB-CE1 3.6Å; F405-F415 HydrophobicContact CB-CE2 3.36Å; F405-F415 HydrophobicContact CB-CG 4.24Å; F405-F415 HydrophobicContact CB-CZ 3.22Å; F405-F415 HydrophobicContact CD1-CD1 4.27Å; F405-F415 AromaticContact CD1-CE1 3.64Å; F405-F415 HydrophobicContact CD1-CE1 3.64Å; F405-F415 HydrophobicContact CD1-CZ 4.02Å; F405-F415 AromaticContact CG-CE1 3.88Å; F405-F415 HydrophobicContact CG-CE1 3.88Å; F405-F415 HydrophobicContact CG-CE2 4.38Å; F405-F415 AromaticContact CG-CZ 3.77Å; F405-F415 HydrophobicContact CG-CZ 3.77Å; F405-F415 PolarHBondContact N-O 3.05Å; F405-F415 PolarHBondContact O-N 3.22Å; F405-W433 HydrophobicContact CE1-CZ3 4.37Å; F405-W433 HydrophobicContact CE2-CH2 4.46Å; F405-W433 AromaticContact CZ-CH2 3.87Å; F405-W433 HydrophobicContact CZ-CH2 3.87Å; F405-W433 AromaticContact CZ-CZ3 3.91Å; F405-W433 HydrophobicContact CZ-CZ3 3.91Å; F405-P447 HydrophobicContact CD2-CG 3.96Å; F405-P447 HydrophobicContact CE1-CG 4.41Å; F405-P447 HydrophobicContact CE2-CG 3.66Å; F405-P447 HydrophobicContact CG-CG 4.48Å; F405-P447 HydrophobicContact CZ-CG 3.91Å; F405-Y450 HydrophobicContact CB-CD1 3.91Å; F405-Y450 HydrophobicContact CB-CE1 4.17Å; F405-Y450 HydrophobicContact CD2-CD1 4.11Å; F405-Y450 AromaticContact CD2-CE1 3.91Å; F405-Y450 HydrophobicContact CD2-CE1 3.91Å; F405-Y450 HydrophobicContact CG-CD1 4.4Å
406	V	88.6	Confident	82.7	Confident	123 Å²	123	58.8 Å²	58.8	75%	0.745	34%	0.336	S	S	*	.			trans	-110	119.7	176.2	-178.7	0	0	0	0	107.8	S408	V406-S408 PolarHBondContact O-N 2.98Å
407	R	90.3	Very high	83.2	Confident	136 Å²	136	60.2 Å²	60.2	51%	0.513	34%	0.342	S	S	.	.			trans	-56.4	134.3	179.6	75.1	-177.9	179	175.4	-4.2	112.1	E412 S414	R407-E412 HydrophobicContact CB-CB 3.67Å; R407-E412 WeakPolarHBondContact CD-O 3.3Å; R407-S414 WeakPolarHBondContact CG-OG 3.31Å; R407-S414 PolarHBondContact N-OG 3.17Å
408	S	77.9	Confident	82.6	Confident	90 Å²	90	62.1 Å²	62.1	63%	0.629	36%	0.355	S	S	*	.	S	Bend	trans	-93.3	-28.8	170.7	65.6	0	0	0	0	112.1	V406 E412	V406-S408 PolarHBondContact O-N 2.98Å; S408-E412 WeakPolarHBondContact CA-OE2 3.3Å; S408-E412 PolarHBondContact N-OE2 2.92Å; S408-E412 PolarHBondContact OG-OE1 2.91Å; S408-E412 VanDerWaalsContact OG-OE1 3.05Å; S408-E412 PolarHBondContact OG-OE2 3.29Å
409	H	84.4	Confident	82.6	Confident	125 Å²	125	61.3 Å²	61.3	58%	0.579	35%	0.348	S	S	*	.	S	Bend	trans	-121.3	159.7	178.2	-57.8	97	0	0	0	112.9	A411 E412	H409-A411 PolarHBondContact O-N 3.13Å; H409-E412 HydrophobicContact CB-CG 4.31Å; H409-E412 IonicContact CE1-OE1 2.75Å; H409-E412 IonicContact CG-OE1 2.65Å; H409-E412 PolarHBondContact N-OE2 2.75Å; H409-E412 VanDerWaalsContact N-OE2 3.16Å; H409-E412 IonicContact ND1-OE1 3.54Å; H409-E412 PolarHBondContact ND1-OE1 2.94Å; H409-E412 PolarHBondContact O-N 3.47Å; H409-E412 VanDerWaalsContact O-N 3.15Å
410	A	81.2	Confident	82.8	Confident	95 Å²	95	65.3 Å²	65.3	79%	0.785	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23	180	0	0	0	0	0	114	E412	A410-E412 VanDerWaalsContact C-N 3.33Å
411	A	88.4	Confident	83	Confident	63 Å²	63	63.6 Å²	63.6	52%	0.521	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.6	176.3	0	0	0	0	0	113.6	H409 G444 L445	H409-A411 PolarHBondContact O-N 3.13Å; A411-G444 CarbonylContact O-C 3.58Å; A411-G444 WeakPolarHBondContact O-CA 3.39Å; A411-L445 HydrophobicContact CB-CD1 4.4Å; A411-L445 PolarHBondContact O-N 3.21Å
412	E	93.4	Very high	83.5	Confident	15 Å²	15	66 Å²	66	7%	0.07	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-94	149.9	-178.6	-69.6	164.4	-157.8	0	0	111.3	F405 R407 S408 H409 A410 W433 L445	F405-E412 HydrophobicContact CE1-CB 4.32Å; R407-E412 HydrophobicContact CB-CB 3.67Å; R407-E412 WeakPolarHBondContact CD-O 3.3Å; S408-E412 WeakPolarHBondContact CA-OE2 3.3Å; S408-E412 PolarHBondContact N-OE2 2.92Å; S408-E412 PolarHBondContact OG-OE1 2.91Å; S408-E412 VanDerWaalsContact OG-OE1 3.05Å; S408-E412 PolarHBondContact OG-OE2 3.29Å; H409-E412 HydrophobicContact CB-CG 4.31Å; H409-E412 IonicContact CE1-OE1 2.75Å; H409-E412 IonicContact CG-OE1 2.65Å; H409-E412 PolarHBondContact N-OE2 2.75Å; H409-E412 VanDerWaalsContact N-OE2 3.16Å; H409-E412 IonicContact ND1-OE1 3.54Å; H409-E412 PolarHBondContact ND1-OE1 2.94Å; H409-E412 PolarHBondContact O-N 3.47Å; H409-E412 VanDerWaalsContact O-N 3.15Å; A410-E412 VanDerWaalsContact C-N 3.33Å; E412-W433 HydrophobicContact CG-CE3 4.44Å; E412-W433 HydrophobicContact CG-CH2 4.14Å; E412-W433 HydrophobicContact CG-CZ3 3.71Å; E412-L445 WeakPolarHBondContact CA-O 3.28Å; E412-L445 HydrophobicContact CG-CB 4.47Å
413	L	90.8	Very high	84.4	Confident	7 Å²	7	64 Å²	64	4%	0.037	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-99.8	127.6	178.1	-178.2	64.4	0	0	0	110.4	F405 F415 L421 C436 N438 E442 L445 V446	F405-L413 WeakPolarHBondContact CD1-O 3.39Å; L413-F415 VanDerWaalsContact O-CD1 3.25Å; L413-F415 WeakPolarHBondContact O-CD1 3.46Å; L413-F415 WeakPolarHBondContact O-CE1 3.01Å; L413-L421 HydrophobicContact CD2-CD1 4.31Å; L413-L421 HydrophobicContact CD2-CD2 4.27Å; L413-C436 HydrophobicContact CD2-CB 4.5Å; L413-N438 HydrophobicContact CD2-CB 4.4Å; L413-E442 HydrophobicContact CD1-CB 3.77Å; L413-L445 PolarHBondContact N-O 3.01Å; L413-V446 HydrophobicContact CB-CG2 3.87Å; L413-V446 HydrophobicContact CD2-CG2 3.94Å; L413-V446 HydrophobicContact CG-CG2 4.4Å
414	S	91.3	Very high	85	Confident	37 Å²	37	61 Å²	61	26%	0.259	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-83.5	137.5	169.3	-63.5	0	0	0	0	111.1	F405 R407	F405-S414 WeakPolarHBondContact O-CA 3.42Å; R407-S414 WeakPolarHBondContact CG-OG 3.31Å; R407-S414 PolarHBondContact N-OG 3.17Å
415	F	90.3	Very high	85.6	Confident	9 Å²	9	59.9 Å²	59.9	4%	0.039	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-147	152.8	-179.6	50.1	-96	0	0	0	112.4	T401 Y403 F405 L413 E419 L421 V446 Y450	T401-F415 HydrophobicContact CG2-CB 4.08Å; T401-F415 HydrophobicContact CG2-CD1 4.4Å; T401-F415 HydrophobicContact CG2-CD2 3.19Å; T401-F415 HydrophobicContact CG2-CE2 3.55Å; T401-F415 HydrophobicContact CG2-CG 3.65Å; T401-F415 HydrophobicContact CG2-CZ 4.31Å; Y403-F415 WeakPolarHBondContact O-CE2 3.21Å; F405-F415 HydrophobicContact CB-CD1 4.12Å; F405-F415 HydrophobicContact CB-CD2 3.85Å; F405-F415 HydrophobicContact CB-CE1 3.6Å; F405-F415 HydrophobicContact CB-CE2 3.36Å; F405-F415 HydrophobicContact CB-CG 4.24Å; F405-F415 HydrophobicContact CB-CZ 3.22Å; F405-F415 HydrophobicContact CD1-CD1 4.27Å; F405-F415 AromaticContact CD1-CE1 3.64Å; F405-F415 HydrophobicContact CD1-CE1 3.64Å; F405-F415 HydrophobicContact CD1-CZ 4.02Å; F405-F415 AromaticContact CG-CE1 3.88Å; F405-F415 HydrophobicContact CG-CE1 3.88Å; F405-F415 HydrophobicContact CG-CE2 4.38Å; F405-F415 AromaticContact CG-CZ 3.77Å; F405-F415 HydrophobicContact CG-CZ 3.77Å; F405-F415 PolarHBondContact N-O 3.05Å; F405-F415 PolarHBondContact O-N 3.22Å; L413-F415 VanDerWaalsContact O-CD1 3.25Å; L413-F415 WeakPolarHBondContact O-CD1 3.46Å; L413-F415 WeakPolarHBondContact O-CE1 3.01Å; F415-E419 WeakPolarHBondContact CA-OE2 3.25Å; F415-E419 HydrophobicContact CB-CB 4.47Å; F415-E419 WeakPolarHBondContact CB-OE2 3.29Å; F415-L421 HydrophobicContact CD1-CD1 4.21Å; F415-L421 HydrophobicContact CG-CD1 4.36Å; F415-V446 HydrophobicContact CD1-CG1 4.42Å; F415-V446 HydrophobicContact CD1-CG2 4.07Å; F415-V446 HydrophobicContact CE1-CB 4.07Å; F415-V446 HydrophobicContact CE1-CG1 3.54Å; F415-V446 HydrophobicContact CE1-CG2 3.75Å; F415-V446 HydrophobicContact CZ-CG1 3.74Å; F415-Y450 HydrophobicContact CE2-CD1 4.2Å; F415-Y450 HydrophobicContact CZ-CD1 4.28Å; F415-Y450 HydrophobicContact CZ-CG 4.41Å
416	G	80.4	Confident	85.7	Confident	33 Å²	33	62.6 Å²	62.6	34%	0.34	36%	0.36	S	S	.	.			trans	-76.9	174.3	170.1	0	0	0	0	0	112.3	T401 E419	T401-G416 WeakPolarHBondContact CB-O 3.48Å; T401-G416 PolarHBondContact OG1-O 3Å; G416-E419 PolarHBondContact N-OE2 3.48Å
417	E	71.5	Confident	85.5	Confident	116 Å²	116	58.3 Å²	58.3	54%	0.542	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	144.6	163.9	-157.2	-170.8	121.7	0	0	109.9	E419	E417-E419 PolarHBondContact O-N 2.8Å
418	N	67.1	Low	84.8	Confident	102 Å²	102	57.3 Å²	57.3	55%	0.545	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	23.2	178.6	-52.1	-61.6	0	0	0	115	T401	T401-N418 WeakPolarHBondContact O-CA 3.03Å; T401-N418 PolarHBondContact O-N 2.84Å; T401-N418 PolarHBondContact OG1-N 2.9Å; T401-N418 VanDerWaalsContact OG1-N 3.15Å
419	E	83.1	Confident	84.8	Confident	24 Å²	24	58.4 Å²	58.4	11%	0.112	35%	0.345	C	S	.	.			trans	-80.1	133.2	171.4	-167.5	167.9	175.9	0	0	109.6	T401 F415 G416 E417 L421 R440	T401-E419 HydrophobicContact CG2-CB 4.36Å; T401-E419 WeakPolarHBondContact CG2-O 3.26Å; T401-E419 PolarHBondContact N-O 3.28Å; T401-E419 PolarHBondContact OG1-N 2.81Å; T401-E419 PolarHBondContact OG1-O 2.88Å; F415-E419 WeakPolarHBondContact CA-OE2 3.25Å; F415-E419 HydrophobicContact CB-CB 4.47Å; F415-E419 WeakPolarHBondContact CB-OE2 3.29Å; G416-E419 PolarHBondContact N-OE2 3.48Å; E417-E419 PolarHBondContact O-N 2.8Å; E419-L421 HydrophobicContact CG-CD2 3.99Å; E419-R440 IonicContact OE1-CZ 3.12Å; E419-R440 IonicContact OE1-NH1 3.83Å; E419-R440 PolarHBondContact OE1-NH1 3.18Å; E419-R440 IonicContact OE1-NH2 3.87Å; E419-R440 IonicContact OE2-NH1 3.94Å
420	V	84.3	Confident	84.4	Confident	84 Å²	84	54.6 Å²	54.6	51%	0.509	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.4	177	179.5	0	0	0	0	109.4	T398 V399	T398-V420 HydrophobicContact CG2-CG1 4.03Å; V399-V420 WeakPolarHBondContact O-CA 3.5Å
421	L	85.8	Confident	84.4	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	148.2	179.5	-44.3	175.9	0	0	0	110.7	V399 T401 L413 F415 E419 C436 R437 N438 V446 V451	V399-L421 HydrophobicContact CG2-CB 3.78Å; V399-L421 WeakPolarHBondContact CG2-O 3.47Å; V399-L421 PolarHBondContact N-O 2.9Å; V399-L421 PolarHBondContact O-N 2.9Å; T401-L421 HydrophobicContact CG2-CD1 3.56Å; T401-L421 HydrophobicContact CG2-CG 3.94Å; L413-L421 HydrophobicContact CD2-CD1 4.31Å; L413-L421 HydrophobicContact CD2-CD2 4.27Å; F415-L421 HydrophobicContact CD1-CD1 4.21Å; F415-L421 HydrophobicContact CG-CD1 4.36Å; E419-L421 HydrophobicContact CG-CD2 3.99Å; L421-C436 HydrophobicContact CB-CB 4.04Å; L421-C436 HydrophobicContact CD1-CB 4.23Å; L421-R437 CarbonylContact C-O 3.55Å; L421-R437 WeakPolarHBondContact CA-O 3.33Å; L421-N438 HydrophobicContact CD2-CB 3.51Å; L421-V446 HydrophobicContact CD1-CG1 4.29Å; L421-V446 HydrophobicContact CD1-CG2 3.95Å; L421-V451 HydrophobicContact CD1-CG1 4.37Å
422	E	89.1	Confident	84	Confident	49 Å²	49	52.6 Å²	52.6	23%	0.229	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.1	175.6	-178.7	-174.7	-173.5	0	0	108.9	H396 L424 C436 R437	H396-E422 HydrophobicContact CB-CG 3.94Å; H396-E422 IonicContact CE1-OE1 3.84Å; H396-E422 IonicContact CG-OE1 2.86Å; H396-E422 IonicContact ND1-OE1 3.25Å; H396-E422 PolarHBondContact ND1-OE1 2.79Å; E422-L424 HydrophobicContact CG-CD2 4.41Å; E422-L424 PolarHBondContact O-N 2.74Å; E422-C436 CarbonylContact O-C 3.55Å; E422-C436 WeakPolarHBondContact O-CA 3.36Å; E422-R437 HydrophobicContact CB-CB 4.44Å; E422-R437 PolarHBondContact N-O 3.21Å; E422-R437 PolarHBondContact O-N 2.97Å; E422-R437 IonicContact OE1-CZ 2.67Å; E422-R437 IonicContact OE1-NH2 3.94Å; E422-R437 PolarHBondContact OE1-NH2 2.87Å; E422-R437 IonicContact OE2-CZ 3.05Å; E422-R437 IonicContact OE2-NE 3.65Å; E422-R437 PolarHBondContact OE2-NE 3.45Å; E422-R437 IonicContact OE2-NH2 3.95Å; E422-R437 PolarHBondContact OE2-NH2 3.08Å
423	V	90.2	Very high	83.8	Confident	9 Å²	9	54.3 Å²	54.3	6%	0.055	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	114.7	177	-174.2	0	0	0	0	108.8	E397 V399 K426 W434	E397-V423 HydrophobicContact CB-CB 4.2Å; E397-V423 HydrophobicContact CB-CG2 4.42Å; E397-V423 WeakPolarHBondContact O-CB 3.47Å; E397-V423 WeakPolarHBondContact O-CG2 3.44Å; E397-V423 PolarHBondContact O-N 2.85Å; V399-V423 HydrophobicContact CB-CG2 4.36Å; V399-V423 HydrophobicContact CG1-CG2 3.46Å; V399-V423 VanDerWaalsContact CG1-CG2 3.46Å; V399-V423 HydrophobicContact CG2-CG2 4.05Å; V423-K426 HydrophobicContact CG1-CG 4.06Å; V423-W434 HydrophobicContact CG1-CE3 4.42Å; V423-W434 HydrophobicContact CG2-CE3 4.03Å; V423-W434 HydrophobicContact CG2-CZ3 4.39Å
424	L	90.3	Very high	83.9	Confident	51 Å²	51	54.7 Å²	54.7	27%	0.267	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-40	177.5	-59.5	-179.5	0	0	0	111.5	E422 H435 R437	E422-L424 HydrophobicContact CG-CD2 4.41Å; E422-L424 PolarHBondContact O-N 2.74Å; L424-H435 WeakPolarHBondContact CB-O 3.33Å; L424-H435 VanDerWaalsContact CD1-CE1 3.5Å; L424-H435 WeakPolarHBondContact CD1-CE1 3.39Å; L424-H435 PolarHBondContact N-O 3.16Å; L424-R437 HydrophobicContact CD1-CB 3.92Å; L424-R437 HydrophobicContact CD2-CB 4.17Å; L424-R437 HydrophobicContact CG-CB 4.05Å
425	S	91.4	Very high	84	Confident	58 Å²	58	55.6 Å²	55.6	41%	0.406	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	157.6	173.3	65.3	0	0	0	0	112.5	H435	S425-H435 PolarHBondContact N-O 3.26Å; S425-H435 PolarHBondContact O-N 3.17Å; S425-H435 WeakPolarHBondContact OG-CB 3.31Å
426	K	89.8	Confident	84.2	Confident	87 Å²	87	55.2 Å²	55.2	38%	0.378	31%	0.311	S	S	.	.			trans	-113.5	95.6	171.6	-66	176	178.1	172	0	107.3	E397 V423 W434	E397-K426 IonicContact OE1-NZ 3.69Å; E397-K426 PolarHBondContact OE1-NZ 3.16Å; E397-K426 WeakPolarHBondContact OE2-CE 2.83Å; E397-K426 IonicContact OE2-NZ 3.17Å; E397-K426 PolarHBondContact OE2-NZ 2.77Å; V423-K426 HydrophobicContact CG1-CG 4.06Å; K426-W434 HydrophobicContact CD-CD2 4.29Å; K426-W434 HydrophobicContact CD-CH2 4.42Å; K426-W434 HydrophobicContact CD-CZ2 4.01Å; K426-W434 VanDerWaalsContact CE-CH2 3.45Å; K426-W434 HydrophobicContact CG-CD2 4.02Å; K426-W434 HydrophobicContact CG-CG 4.05Å
427	P	83.9	Confident	84.7	Confident	33 Å²	33	58 Å²	58	21%	0.214	31%	0.311	C	S	.	.			trans	-55.2	129.3	-177.5	-25.4	34.4	0	0	0	111.5	D429 D430 W433 L445	P427-D429 PolarHBondContact O-N 3.17Å; P427-D430 CarbonylContact O-C 3.51Å; P427-W433 WeakPolarHBondContact CD-O 3.31Å; P427-L445 HydrophobicContact CG-CD2 4.44Å
428	P	76.6	Confident	85.5	Confident	115 Å²	115	52.9 Å²	52.9	75%	0.747	29%	0.288	S	S	*	.	S	Bend	trans	-68.1	-27.7	178.3	27.3	-33.3	0	0	0	112.2
429	D	76.8	Confident	86.3	Confident	113 Å²	113	54.3 Å²	54.3	60%	0.604	30%	0.295	S	S	*	.	S	Bend	trans	-78	-29	-175	-48.8	-26	0	0	0	112.1	Y352 P427	Y352-D429 PolarHBondContact OH-OD1 2.84Å; P427-D429 PolarHBondContact O-N 3.17Å
430	D	77.5	Confident	86.2	Confident	45 Å²	45	59.7 Å²	59.7	24%	0.241	32%	0.315	C	S	.	.			trans	-139.7	81.1	172	-158.9	-17.9	0	0	0	112.2	P427 A432 W433	P427-D430 CarbonylContact O-C 3.51Å; D430-A432 PolarHBondContact O-N 2.9Å; D430-A432 WeakPolarHBondContact OD1-CB 3.27Å; D430-A432 PolarHBondContact OD1-N 2.72Å; D430-W433 PolarHBondContact O-N 2.84Å; D430-W433 VanDerWaalsContact OD2-CD1 3.28Å
431	P	81	Confident	86.3	Confident	76 Å²	76	58.1 Å²	58.1	49%	0.494	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6	-177.8	28.7	-36.3	0	0	0	113.7	W433 W434	P431-W433 VanDerWaalsContact C-N 3.34Å; P431-W434 PolarHBondContact O-NE1 2.8Å; P431-W434 VanDerWaalsContact O-NE1 3.12Å
432	A	80.5	Confident	86.4	Confident	40 Å²	40	62.5 Å²	62.5	33%	0.331	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-12.8	172.9	0	0	0	0	0	112.9	D430 P447 H448	D430-A432 PolarHBondContact O-N 2.9Å; D430-A432 WeakPolarHBondContact OD1-CB 3.27Å; D430-A432 PolarHBondContact OD1-N 2.72Å; A432-P447 CarbonylContact O-C 3.6Å; A432-P447 WeakPolarHBondContact O-CA 3.45Å; A432-H448 PolarHBondContact O-N 2.62Å
433	W	88.3	Confident	86.6	Confident	51 Å²	51	63.4 Å²	63.4	19%	0.193	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	107.1	-178.5	-70.8	90.7	0	0	0	111.1	F405 E412 P427 D430 P431 L445 V446 P447	F405-W433 HydrophobicContact CE1-CZ3 4.37Å; F405-W433 HydrophobicContact CE2-CH2 4.46Å; F405-W433 AromaticContact CZ-CH2 3.87Å; F405-W433 HydrophobicContact CZ-CH2 3.87Å; F405-W433 AromaticContact CZ-CZ3 3.91Å; F405-W433 HydrophobicContact CZ-CZ3 3.91Å; E412-W433 HydrophobicContact CG-CE3 4.44Å; E412-W433 HydrophobicContact CG-CH2 4.14Å; E412-W433 HydrophobicContact CG-CZ3 3.71Å; P427-W433 WeakPolarHBondContact CD-O 3.31Å; D430-W433 PolarHBondContact O-N 2.84Å; D430-W433 VanDerWaalsContact OD2-CD1 3.28Å; P431-W433 VanDerWaalsContact C-N 3.34Å; W433-L445 HydrophobicContact CB-CB 4.35Å; W433-L445 HydrophobicContact CB-CD2 4.31Å; W433-L445 HydrophobicContact CE3-CB 3.89Å; W433-V446 CarbonylContact C-O 3.56Å; W433-V446 WeakPolarHBondContact CA-O 3.46Å; W433-P447 HydrophobicContact CE3-CG 4.04Å; W433-P447 HydrophobicContact CH2-CG 3.87Å; W433-P447 HydrophobicContact CZ3-CB 4.48Å; W433-P447 HydrophobicContact CZ3-CG 3.58Å
434	W	92.8	Very high	86.7	Confident	16 Å²	16	63.2 Å²	63.2	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.2	-178.1	-65.4	3.1	0	0	0	110.4	V399 V423 K426 P431 C436 L445 V446 H448 V451 V453	V399-W434 HydrophobicContact CG1-CE3 4.18Å; V399-W434 HydrophobicContact CG1-CZ3 3.8Å; V423-W434 HydrophobicContact CG1-CE3 4.42Å; V423-W434 HydrophobicContact CG2-CE3 4.03Å; V423-W434 HydrophobicContact CG2-CZ3 4.39Å; K426-W434 HydrophobicContact CD-CD2 4.29Å; K426-W434 HydrophobicContact CD-CH2 4.42Å; K426-W434 HydrophobicContact CD-CZ2 4.01Å; K426-W434 VanDerWaalsContact CE-CH2 3.45Å; K426-W434 HydrophobicContact CG-CD2 4.02Å; K426-W434 HydrophobicContact CG-CG 4.05Å; P431-W434 PolarHBondContact O-NE1 2.8Å; P431-W434 VanDerWaalsContact O-NE1 3.12Å; W434-C436 PolarHBondContact O-N 3.11Å; W434-L445 CarbonylContact O-C 3.53Å; W434-L445 WeakPolarHBondContact O-CA 3.28Å; W434-V446 PolarHBondContact N-O 2.94Å; W434-V446 PolarHBondContact O-N 2.88Å; W434-H448 HydrophobicContact CD2-CB 4.27Å; W434-H448 AromaticContact CE2-CD2 3.98Å; W434-H448 AromaticContact CE2-CG 3.51Å; W434-H448 AromaticContact CE2-ND1 3.58Å; W434-H448 HydrophobicContact CG-CB 4.41Å; W434-H448 AromaticContact CH2-CE1 3.36Å; W434-H448 WeakPolarHBondContact CH2-CE1 3.41Å; W434-H448 AromaticContact CH2-ND1 3.39Å; W434-H448 WeakPolarHBondContact CH2-ND1 3.42Å; W434-H448 HydrophobicContact CZ2-CB 4.35Å; W434-H448 AromaticContact CZ2-CD2 3.68Å; W434-H448 AromaticContact CZ2-CE1 3.28Å; W434-H448 WeakPolarHBondContact CZ2-CE1 3.44Å; W434-H448 AromaticContact CZ2-CG 3.49Å; W434-H448 VanDerWaalsContact CZ2-CG 3.49Å; W434-H448 AromaticContact CZ2-ND1 3.21Å; W434-H448 WeakPolarHBondContact CZ2-ND1 3.4Å; W434-H448 AromaticContact CZ2-NE2 3.56Å; W434-H448 AromaticContact CZ3-ND1 3.9Å; W434-H448 AromaticContact NE1-CG 3.7Å; W434-V451 HydrophobicContact CE3-CG2 4.15Å; W434-V451 HydrophobicContact CZ3-CG2 4.42Å; W434-V453 HydrophobicContact CH2-CG2 3.74Å; W434-V453 HydrophobicContact CZ3-CG2 3.79Å
435	H	93.5	Very high	86.9	Confident	56 Å²	56	63.3 Å²	63.3	26%	0.259	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	111.9	173.9	-173	-126.6	0	0	0	108.6	L424 S425 L445	L424-H435 WeakPolarHBondContact CB-O 3.33Å; L424-H435 VanDerWaalsContact CD1-CE1 3.5Å; L424-H435 WeakPolarHBondContact CD1-CE1 3.39Å; L424-H435 PolarHBondContact N-O 3.16Å; S425-H435 PolarHBondContact N-O 3.26Å; S425-H435 PolarHBondContact O-N 3.17Å; S425-H435 WeakPolarHBondContact OG-CB 3.31Å; H435-L445 HydrophobicContact CB-CD2 4.39Å
436	C	93.9	Very high	86.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	159.8	-175.9	-61.7	0	0	0	0	111.6	L413 L421 E422 W434 S443 G444 V446	L413-C436 HydrophobicContact CD2-CB 4.5Å; L421-C436 HydrophobicContact CB-CB 4.04Å; L421-C436 HydrophobicContact CD1-CB 4.23Å; E422-C436 CarbonylContact O-C 3.55Å; E422-C436 WeakPolarHBondContact O-CA 3.36Å; W434-C436 PolarHBondContact O-N 3.11Å; C436-S443 CarbonylContact O-C 3.4Å; C436-S443 WeakPolarHBondContact O-CA 3.44Å; C436-S443 WeakPolarHBondContact O-CB 3.21Å; C436-G444 PolarHBondContact N-O 2.84Å; C436-G444 PolarHBondContact O-N 3.04Å; C436-V446 HydrophobicContact CB-CB 4.34Å; C436-V446 HydrophobicContact CB-CG2 3.78Å
437	R	91.7	Very high	86.8	Confident	92 Å²	92	56.7 Å²	56.7	35%	0.347	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.9	173.4	175.8	167.9	68.8	-173.1	2.7	110.4	L421 E422 L424 E442	L421-R437 CarbonylContact C-O 3.55Å; L421-R437 WeakPolarHBondContact CA-O 3.33Å; E422-R437 HydrophobicContact CB-CB 4.44Å; E422-R437 PolarHBondContact N-O 3.21Å; E422-R437 PolarHBondContact O-N 2.97Å; E422-R437 IonicContact OE1-CZ 2.67Å; E422-R437 IonicContact OE1-NH2 3.94Å; E422-R437 PolarHBondContact OE1-NH2 2.87Å; E422-R437 IonicContact OE2-CZ 3.05Å; E422-R437 IonicContact OE2-NE 3.65Å; E422-R437 PolarHBondContact OE2-NE 3.45Å; E422-R437 IonicContact OE2-NH2 3.95Å; E422-R437 PolarHBondContact OE2-NH2 3.08Å; L424-R437 HydrophobicContact CD1-CB 3.92Å; L424-R437 HydrophobicContact CD2-CB 4.17Å; L424-R437 HydrophobicContact CG-CB 4.05Å; R437-E442 CarbonylContact C-O 3.54Å; R437-E442 VanDerWaalsContact CA-O 3.28Å; R437-E442 WeakPolarHBondContact CA-O 3.28Å
438	N	88.8	Confident	86.9	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.043	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	175	174.9	68.7	13.3	0	0	0	112.6	L413 L421 R440 G441 E442	L413-N438 HydrophobicContact CD2-CB 4.4Å; L421-N438 HydrophobicContact CD2-CB 3.51Å; N438-R440 PolarHBondContact ND2-NE 2.88Å; N438-R440 PolarHBondContact ND2-NH2 3.22Å; N438-R440 PolarHBondContact O-N 2.91Å; N438-R440 VanDerWaalsContact O-N 3.16Å; N438-R440 WeakPolarHBondContact OD1-CA 3.38Å; N438-R440 WeakPolarHBondContact OD1-CB 3.43Å; N438-R440 PolarHBondContact OD1-N 3.39Å; N438-G441 PolarHBondContact O-N 3.42Å; N438-G441 PolarHBondContact OD1-N 2.86Å; N438-G441 VanDerWaalsContact OD1-N 3.13Å; N438-E442 PolarHBondContact N-O 2.89Å; N438-E442 PolarHBondContact ND2-OE2 2.86Å; N438-E442 WeakPolarHBondContact OD1-CB 3.26Å; N438-E442 PolarHBondContact OD1-N 3.15Å; N438-E442 PolarHBondContact OD1-O 3.27Å
439	N	82.7	Confident	87.2	Confident	132 Å²	132	57.6 Å²	57.6	71%	0.706	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.8	176.2	66.1	16.1	0	0	0	114.5	G441	N439-G441 VanDerWaalsContact C-N 3.31Å
440	R	82.1	Confident	87.8	Confident	137 Å²	137	55.8 Å²	55.8	52%	0.517	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.9	173.9	-52.2	-171.5	-70.8	-85.3	2.3	112.5	E419 N438 E442	E419-R440 IonicContact OE1-CZ 3.12Å; E419-R440 IonicContact OE1-NH1 3.83Å; E419-R440 PolarHBondContact OE1-NH1 3.18Å; E419-R440 IonicContact OE1-NH2 3.87Å; E419-R440 IonicContact OE2-NH1 3.94Å; N438-R440 PolarHBondContact ND2-NE 2.88Å; N438-R440 PolarHBondContact ND2-NH2 3.22Å; N438-R440 PolarHBondContact O-N 2.91Å; N438-R440 VanDerWaalsContact O-N 3.16Å; N438-R440 WeakPolarHBondContact OD1-CA 3.38Å; N438-R440 WeakPolarHBondContact OD1-CB 3.43Å; N438-R440 PolarHBondContact OD1-N 3.39Å; R440-E442 VanDerWaalsContact C-N 3.27Å; R440-E442 HydrophobicContact CB-CG 4.19Å; R440-E442 IonicContact CZ-OE2 2.71Å; R440-E442 IonicContact NE-OE2 2.75Å; R440-E442 PolarHBondContact NE-OE2 3.37Å; R440-E442 IonicContact NH2-OE2 2.86Å; R440-E442 PolarHBondContact NH2-OE2 3.44Å
441	G	85.1	Confident	88.1	Confident	52 Å²	52	54 Å²	54	54%	0.536	28%	0.282	S	S	.	.	S	Bend	trans	80.2	4.4	-175.7	0	0	0	0	0	114.1	N438 N439	N438-G441 PolarHBondContact O-N 3.42Å; N438-G441 PolarHBondContact OD1-N 2.86Å; N438-G441 VanDerWaalsContact OD1-N 3.13Å; N439-G441 VanDerWaalsContact C-N 3.31Å
442	E	88.9	Confident	88	Confident	93 Å²	93	52.3 Å²	52.3	44%	0.435	27%	0.273	S	S	.	.			trans	-74.3	139.2	172.2	-54.2	172.5	125.1	0	0	109	L413 R437 N438 R440	L413-E442 HydrophobicContact CD1-CB 3.77Å; R437-E442 CarbonylContact C-O 3.54Å; R437-E442 VanDerWaalsContact CA-O 3.28Å; R437-E442 WeakPolarHBondContact CA-O 3.28Å; N438-E442 PolarHBondContact N-O 2.89Å; N438-E442 PolarHBondContact ND2-OE2 2.86Å; N438-E442 WeakPolarHBondContact OD1-CB 3.26Å; N438-E442 PolarHBondContact OD1-N 3.15Å; N438-E442 PolarHBondContact OD1-O 3.27Å; R440-E442 VanDerWaalsContact C-N 3.27Å; R440-E442 HydrophobicContact CB-CG 4.19Å; R440-E442 IonicContact CZ-OE2 2.71Å; R440-E442 IonicContact NE-OE2 2.75Å; R440-E442 PolarHBondContact NE-OE2 3.37Å; R440-E442 IonicContact NH2-OE2 2.86Å; R440-E442 PolarHBondContact NH2-OE2 3.44Å
443	S	91.8	Very high	88	Confident	68 Å²	68	52.9 Å²	52.9	48%	0.476	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.6	176.5	61.5	0	0	0	0	112.1	C436	C436-S443 CarbonylContact O-C 3.4Å; C436-S443 WeakPolarHBondContact O-CA 3.44Å; C436-S443 WeakPolarHBondContact O-CB 3.21Å
444	G	93.8	Very high	86.8	Confident	4 Å²	4	56.3 Å²	56.3	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.2	179.7	179.3	0	0	0	0	0	112.1	A411 C436	A411-G444 CarbonylContact O-C 3.58Å; A411-G444 WeakPolarHBondContact O-CA 3.39Å; C436-G444 PolarHBondContact N-O 2.84Å; C436-G444 PolarHBondContact O-N 3.04Å
445	L	93.6	Very high	84.7	Confident	53 Å²	53	61 Å²	61	28%	0.277	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	135	177.4	-63.6	175.5	0	0	0	111	A411 E412 L413 P427 W433 W434 H435	A411-L445 HydrophobicContact CB-CD1 4.4Å; A411-L445 PolarHBondContact O-N 3.21Å; E412-L445 WeakPolarHBondContact CA-O 3.28Å; E412-L445 HydrophobicContact CG-CB 4.47Å; L413-L445 PolarHBondContact N-O 3.01Å; P427-L445 HydrophobicContact CG-CD2 4.44Å; W433-L445 HydrophobicContact CB-CB 4.35Å; W433-L445 HydrophobicContact CB-CD2 4.31Å; W433-L445 HydrophobicContact CE3-CB 3.89Å; W434-L445 CarbonylContact O-C 3.53Å; W434-L445 WeakPolarHBondContact O-CA 3.28Å; H435-L445 HydrophobicContact CB-CD2 4.39Å
446	V	91.3	Very high	82	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.6	-178.3	169.7	0	0	0	0	108.6	L413 F415 L421 W433 W434 C436 H448 V451	L413-V446 HydrophobicContact CB-CG2 3.87Å; L413-V446 HydrophobicContact CD2-CG2 3.94Å; L413-V446 HydrophobicContact CG-CG2 4.4Å; F415-V446 HydrophobicContact CD1-CG1 4.42Å; F415-V446 HydrophobicContact CD1-CG2 4.07Å; F415-V446 HydrophobicContact CE1-CB 4.07Å; F415-V446 HydrophobicContact CE1-CG1 3.54Å; F415-V446 HydrophobicContact CE1-CG2 3.75Å; F415-V446 HydrophobicContact CZ-CG1 3.74Å; L421-V446 HydrophobicContact CD1-CG1 4.29Å; L421-V446 HydrophobicContact CD1-CG2 3.95Å; W433-V446 CarbonylContact C-O 3.56Å; W433-V446 WeakPolarHBondContact CA-O 3.46Å; W434-V446 PolarHBondContact N-O 2.94Å; W434-V446 PolarHBondContact O-N 2.88Å; C436-V446 HydrophobicContact CB-CB 4.34Å; C436-V446 HydrophobicContact CB-CG2 3.78Å; V446-H448 PolarHBondContact O-N 2.82Å; V446-V451 HydrophobicContact CG1-CG1 3.5Å; V446-V451 HydrophobicContact CG1-CG2 4.24Å
447	P	87.8	Confident	79.1	Confident	7 Å²	7	67.5 Å²	67.5	5%	0.045	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	125.8	175.8	-16.4	26.9	0	0	0	110.5	F405 A432 W433 N449 Y450	F405-P447 HydrophobicContact CD2-CG 3.96Å; F405-P447 HydrophobicContact CE1-CG 4.41Å; F405-P447 HydrophobicContact CE2-CG 3.66Å; F405-P447 HydrophobicContact CG-CG 4.48Å; F405-P447 HydrophobicContact CZ-CG 3.91Å; A432-P447 CarbonylContact O-C 3.6Å; A432-P447 WeakPolarHBondContact O-CA 3.45Å; W433-P447 HydrophobicContact CE3-CG 4.04Å; W433-P447 HydrophobicContact CH2-CG 3.87Å; W433-P447 HydrophobicContact CZ3-CB 4.48Å; W433-P447 HydrophobicContact CZ3-CG 3.58Å; P447-N449 WeakPolarHBondContact CB-OD1 3.31Å; P447-N449 PolarHBondContact O-N 3.17Å; P447-Y450 HydrophobicContact CB-CD2 3.73Å; P447-Y450 HydrophobicContact CB-CG 4.2Å; P447-Y450 HydrophobicContact CG-CD2 4.06Å; P447-Y450 HydrophobicContact CG-CG 4.28Å; P447-Y450 WeakPolarHBondContact O-CB 3.36Å; P447-Y450 PolarHBondContact O-N 3.38Å
448	H	85.6	Confident	76.4	Confident	79 Å²	79	67.9 Å²	67.9	37%	0.366	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-56.7	-38.4	-179.5	174.4	22.9	0	0	0	111.8	A432 W434 V446 Y450 V451	A432-H448 PolarHBondContact O-N 2.62Å; W434-H448 HydrophobicContact CD2-CB 4.27Å; W434-H448 AromaticContact CE2-CD2 3.98Å; W434-H448 AromaticContact CE2-CG 3.51Å; W434-H448 AromaticContact CE2-ND1 3.58Å; W434-H448 HydrophobicContact CG-CB 4.41Å; W434-H448 AromaticContact CH2-CE1 3.36Å; W434-H448 WeakPolarHBondContact CH2-CE1 3.41Å; W434-H448 AromaticContact CH2-ND1 3.39Å; W434-H448 WeakPolarHBondContact CH2-ND1 3.42Å; W434-H448 HydrophobicContact CZ2-CB 4.35Å; W434-H448 AromaticContact CZ2-CD2 3.68Å; W434-H448 AromaticContact CZ2-CE1 3.28Å; W434-H448 WeakPolarHBondContact CZ2-CE1 3.44Å; W434-H448 AromaticContact CZ2-CG 3.49Å; W434-H448 VanDerWaalsContact CZ2-CG 3.49Å; W434-H448 AromaticContact CZ2-ND1 3.21Å; W434-H448 WeakPolarHBondContact CZ2-ND1 3.4Å; W434-H448 AromaticContact CZ2-NE2 3.56Å; W434-H448 AromaticContact CZ3-ND1 3.9Å; W434-H448 AromaticContact NE1-CG 3.7Å; V446-H448 PolarHBondContact O-N 2.82Å; H448-Y450 PolarHBondContact O-N 2.89Å; H448-V451 VanDerWaalsContact O-CG2 3.28Å; H448-V451 WeakPolarHBondContact O-CG2 3.39Å; H448-V451 PolarHBondContact O-N 3.11Å
449	N	84.2	Confident	73.6	Confident	88 Å²	88	73.8 Å²	73.8	47%	0.471	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-70.8	-7.8	178.5	67.1	-58.3	0	0	0	114.4	P447	P447-N449 WeakPolarHBondContact CB-OD1 3.31Å; P447-N449 PolarHBondContact O-N 3.17Å
450	Y	88.8	Confident	71.1	Confident	74 Å²	74	71.7 Å²	71.7	29%	0.29	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-95	-1.1	171.7	-82.3	-117.9	0	0	0	112.3	T401 L402 Y403 F405 F415 P447 H448	T401-Y450 CarbonylContact C-O 3.59Å; T401-Y450 WeakPolarHBondContact CA-O 3.45Å; L402-Y450 PolarHBondContact N-O 2.74Å; Y403-Y450 HydrophobicContact CD2-CD1 4.3Å; Y403-Y450 HydrophobicContact CD2-CG 4.42Å; F405-Y450 HydrophobicContact CB-CD1 3.91Å; F405-Y450 HydrophobicContact CB-CE1 4.17Å; F405-Y450 HydrophobicContact CD2-CD1 4.11Å; F405-Y450 AromaticContact CD2-CE1 3.91Å; F405-Y450 HydrophobicContact CD2-CE1 3.91Å; F405-Y450 HydrophobicContact CG-CD1 4.4Å; F415-Y450 HydrophobicContact CE2-CD1 4.2Å; F415-Y450 HydrophobicContact CZ-CD1 4.28Å; F415-Y450 HydrophobicContact CZ-CG 4.41Å; P447-Y450 HydrophobicContact CB-CD2 3.73Å; P447-Y450 HydrophobicContact CB-CG 4.2Å; P447-Y450 HydrophobicContact CG-CD2 4.06Å; P447-Y450 HydrophobicContact CG-CG 4.28Å; P447-Y450 WeakPolarHBondContact O-CB 3.36Å; P447-Y450 PolarHBondContact O-N 3.38Å; H448-Y450 PolarHBondContact O-N 2.89Å
451	V	83.2	Confident	68.6	Low	7 Å²	7	72 Å²	72	4%	0.042	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.9	-178.8	-71.1	0	0	0	0	113.1	V399 V400 T401 L421 W434 V446 H448	V399-V451 HydrophobicContact CB-CB 4Å; V399-V451 HydrophobicContact CB-CG1 4.42Å; V399-V451 HydrophobicContact CG1-CB 4.48Å; V399-V451 HydrophobicContact CG2-CB 4.04Å; V399-V451 HydrophobicContact CG2-CG1 3.96Å; V399-V451 HydrophobicContact CG2-CG2 4.47Å; V400-V451 CarbonylContact O-C 3.24Å; V400-V451 VanDerWaalsContact O-CA 3.3Å; V400-V451 WeakPolarHBondContact O-CA 3.44Å; T401-V451 HydrophobicContact CG2-CG1 3.87Å; L421-V451 HydrophobicContact CD1-CG1 4.37Å; W434-V451 HydrophobicContact CE3-CG2 4.15Å; W434-V451 HydrophobicContact CZ3-CG2 4.42Å; V446-V451 HydrophobicContact CG1-CG1 3.5Å; V446-V451 HydrophobicContact CG1-CG2 4.24Å; H448-V451 VanDerWaalsContact O-CG2 3.28Å; H448-V451 WeakPolarHBondContact O-CG2 3.39Å; H448-V451 PolarHBondContact O-N 3.11Å
452	S	80	Confident	65.9	Low	42 Å²	42	75.5 Å²	75.5	29%	0.294	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136	171.5	-173.6	0	0	0	0	110	V399 V400 F454	V399-S452 CarbonylContact C-O 3.59Å; V399-S452 WeakPolarHBondContact CA-O 3.4Å; V399-S452 WeakPolarHBondContact CB-O 3.33Å; V400-S452 PolarHBondContact N-O 3.43Å; V400-S452 PolarHBondContact O-N 2.92Å; S452-F454 PolarHBondContact O-N 3.26Å
453	V	81	Confident	63.3	Low	51 Å²	51	77 Å²	77	31%	0.309	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	126.7	177.8	-178.4	0	0	0	0	110	E397 V399 W434 T455	E397-V453 HydrophobicContact CG-CG1 3.79Å; E397-V453 VanDerWaalsContact OE1-CG1 3.26Å; E397-V453 WeakPolarHBondContact OE1-CG1 3.38Å; E397-V453 WeakPolarHBondContact OE1-CG2 3.24Å; V399-V453 HydrophobicContact CG1-CG2 4.19Å; W434-V453 HydrophobicContact CH2-CG2 3.74Å; W434-V453 HydrophobicContact CZ3-CG2 3.79Å; V453-T455 WeakPolarHBondContact CG1-OG1 3.47Å
454	F	61.4	Low	60.3	Low	123 Å²	123	82.2 Å²	82.2	54%	0.539	48%	0.482	S	S	.	.			trans	-109.3	82.2	175.8	-168.5	-97	0	0	0	109.5	T398 S452 T456	T398-F454 PolarHBondContact O-N 3.11Å; S452-F454 PolarHBondContact O-N 3.26Å; F454-T456 HydrophobicContact CD1-CG2 4.2Å; F454-T456 HydrophobicContact CE1-CG2 3.74Å; F454-T456 PolarHBondContact O-N 3.22Å; F454-T456 VanDerWaalsContact O-N 3.1Å
455	T	49.7	Very low	57.3	Low	115 Å²	115	85.6 Å²	85.6	71%	0.706	52%	0.517	S	S	*	.			trans	-76.8	95.9	177.8	-47.6	0	0	0	0	110.5	V453	V453-T455 WeakPolarHBondContact CG1-OG1 3.47Å
456	T	36.6	Very low	54.4	Low	87 Å²	87	93.2 Å²	93.2	53%	0.534	55%	0.548	S	S	.	.			trans	-65.4	130.7	157.9	40.4	0	0	0	0	109.3	F454	F454-T456 HydrophobicContact CD1-CG2 4.2Å; F454-T456 HydrophobicContact CE1-CG2 3.74Å; F454-T456 PolarHBondContact O-N 3.22Å; F454-T456 VanDerWaalsContact O-N 3.1Å
457	P	33.4	Very low	51.4	Low	105 Å²	105	98.5 Å²	98.5	68%	0.682	58%	0.582	S	S	*	*			trans	-63.2	140.6	178.5	26.1	-33.9	0	0	0	110.5	T459	P457-T459 PolarHBondContact O-N 2.99Å; P457-T459 VanDerWaalsContact O-N 3.1Å
458	P	33.6	Very low	48.6	Very low	101 Å²	101	108.5 Å²	108.5	66%	0.656	63%	0.626	S	S	*	*			trans	-69.1	111.4	-178.9	27.3	-33.4	0	0	0	110.4	A460	P458-A460 PolarHBondContact O-N 2.98Å; P458-A460 VanDerWaalsContact O-N 3.16Å
459	T	30.7	Very low	45.8	Very low	132 Å²	132	109.7 Å²	109.7	81%	0.81	64%	0.643	S	S	*	*			trans	-57.9	117.4	173.8	-49.4	0	0	0	0	109.8	P457 T461	P457-T459 PolarHBondContact O-N 2.99Å; P457-T459 VanDerWaalsContact O-N 3.1Å; T459-T461 PolarHBondContact O-N 3.17Å; T459-T461 VanDerWaalsContact O-N 3.08Å
460	A	31.2	Very low	43.2	Very low	87 Å²	87	110.1 Å²	110.1	72%	0.719	65%	0.652	S	S	*	*			trans	-62.5	111.6	-174.5	0	0	0	0	0	112.1	P458 T462	P458-A460 PolarHBondContact O-N 2.98Å; P458-A460 VanDerWaalsContact O-N 3.16Å; A460-T462 PolarHBondContact O-N 2.9Å
461	T	28.2	Very low	40.3	Very low	144 Å²	144	112.7 Å²	112.7	88%	0.883	67%	0.671	S	S	*	*			trans	-67.6	99	179.7	-40.5	0	0	0	0	111.1	T459	T459-T461 PolarHBondContact O-N 3.17Å; T459-T461 VanDerWaalsContact O-N 3.08Å
462	T	30	Very low	37.7	Very low	126 Å²	126	124 Å²	124	77%	0.773	72%	0.715	S	S	*	*			trans	-96.7	99.6	170.3	-53.1	0	0	0	0	110.1	A460	A460-T462 PolarHBondContact O-N 2.9Å
463	T	33.1	Very low	35.2	Very low	123 Å²	123	130.6 Å²	130.6	76%	0.755	74%	0.738	S	S	*	*			trans	37.4	124.4	151.7	-25.4	0	0	0	0	120.9
464	L	30.1	Very low	32.6	Very low	178 Å²	178	134.1 Å²	134.1	93%	0.932	76%	0.762	S	S	*	*			trans	-41.2	138.1	174.8	-93.1	63.9	0	0	0	116.6
465	G	30.3	Very low	31.1	Very low	75 Å²	75	136.3 Å²	136.3	77%	0.773	78%	0.779	S	S	*	*			trans	-150.6	10.5	179	0	0	0	0	0	119
466	K	31.7	Very low	30.1	Very low	213 Å²	213	135.6 Å²	135.6	93%	0.926	78%	0.778	S	S	*	*			trans	67.7	158.2	176.7	-75.6	-178.6	179.4	176.9	0	117.3
467	P	28.8	Very low	29.6	Very low	112 Å²	112	137.6 Å²	137.6	73%	0.727	80%	0.795	S	S	*	*			trans	-110.6	157.4	-149.5	39.7	-32.5	0	0	0	114.8
468	F	28.5	Very low	29.4	Very low	217 Å²	217	141.1 Å²	141.1	95%	0.952	80%	0.802	S	S	*	*			trans	-137.3	132.4	149.9	-115.3	-87.6	0	0	0	111.2
469	S	27.3	Very low	29.1	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	81%	0.809	S	S	*	*			trans	-91.9	144.5	-178.7	179.8	0	0	0	0	110.4
470	S	28.8	Very low	29.1	Very low	97 Å²	97	142.1 Å²	142.1	68%	0.678	81%	0.811	S	S	*	*				175.4	133.7	117.1	44.2	0	0	0	0	115.4
471	N	27.9	Very low	29	Very low	128 Å²	128	145 Å²	145	68%	0.684	81%	0.814	S	S	*	*			trans	57.7	98.8	138	-58.2	-23.9	0	0	0	121.3
472	Y	29.5	Very low	29.1	Very low	244 Å²	244	148.3 Å²	148.3	96%	0.957	82%	0.817	S	S	*	*				-136.4	130.3	118.8	-80.9	-74.5	0	0	0	110
473	K	27.8	Very low	29	Very low	181 Å²	181	145.4 Å²	145.4	79%	0.787	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-86.3	139.3	-176.9	-67.2	177.5	175.5	-179.6	0	111.3
474	P	26.7	Very low	29	Very low	125 Å²	125	148.9 Å²	148.9	81%	0.812	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-77.8	128.5	147	22.1	-10.5	0	0	0	109
475	L	30.2	Very low	28.9	Very low	169 Å²	169	145 Å²	145	89%	0.885	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.7	126.5	173.6	-88.3	158.6	0	0	0	110
476	S	27.1	Very low	28.8	Very low	100 Å²	100	147.3 Å²	147.3	70%	0.699	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-82.3	143.4	166	50.6	0	0	0	0	110.5
477	C	27.4	Very low	28.6	Very low	130 Å²	130	148.8 Å²	148.8	88%	0.878	81%	0.806	S	S	*	*			trans	-126.5	137.4	154.7	56.6	0	0	0	0	108.5
478	Q	29.3	Very low	28.6	Very low	178 Å²	178	148.7 Å²	148.7	83%	0.832	81%	0.808	S	S	*	*			trans	-95	152.8	-159	-64	168.8	-3.5	0	0	112
479	S	25.9	Very low	28.7	Very low	114 Å²	114	146 Å²	146	80%	0.797	80%	0.803	S	S	*	*			trans	-57.7	135.9	168.5	-51.4	0	0	0	0	111.7
480	T	32	Very low	28.8	Very low	141 Å²	141	149.6 Å²	149.6	87%	0.865	81%	0.809	S	S	*	*			trans	-126.3	132.5	146.2	48	0	0	0	0	109.4
481	N	27.9	Very low	28.9	Very low	146 Å²	146	152.4 Å²	152.4	78%	0.781	82%	0.815	S	S	*	*			trans	-69.1	135.8	-177.8	-60.9	-49.6	0	0	0	110.9
482	F	31.6	Very low	28.8	Very low	215 Å²	215	151.4 Å²	151.4	94%	0.943	82%	0.818	S	S	*	*			trans	-149.3	112.2	134.7	-96.7	-73.3	0	0	0	108.3
483	G	27.5	Very low	28.8	Very low	65 Å²	65	145.5 Å²	145.5	67%	0.67	81%	0.806	S	S	*	*			trans	-86.9	150.7	176.8	0	0	0	0	0	111.3
484	H	32	Very low	28.9	Very low	195 Å²	195	142.7 Å²	142.7	90%	0.903	81%	0.805	S	S	*	*			trans	-149.2	138.2	146.5	-111.8	-75.4	0	0	0	112.7
485	S	29.7	Very low	28.8	Very low	98 Å²	98	145 Å²	145	69%	0.685	81%	0.81	S	S	*	*			trans	-44.3	133.7	-174.4	-159.3	0	0	0	0	118.2
486	V	27.9	Very low	29	Very low	123 Å²	123	141.1 Å²	141.1	75%	0.745	80%	0.797	S	S	*	*				36.8	115.8	129	-172.3	0	0	0	0	118.5
487	R	26.9	Very low	29	Very low	244 Å²	244	141.7 Å²	141.7	92%	0.921	80%	0.801	S	S	*	*				-164	126.1	116.8	-110	173	-175.7	-175.3	0.6	113.2
488	S	27.7	Very low	29.1	Very low	110 Å²	110	144.7 Å²	144.7	77%	0.769	80%	0.795	S	S	*	*			trans	-61.5	147.1	165.3	-40.9	0	0	0	0	110.8
489	N	31	Very low	28.9	Very low	159 Å²	159	145.6 Å²	145.6	85%	0.85	80%	0.802	S	S	*	*			trans	-152.7	147.6	146.9	-117	-5.8	0	0	0	112.5
490	Q	29.5	Very low	29.1	Very low	180 Å²	180	145.4 Å²	145.4	84%	0.841	80%	0.796	S	S	*	*			trans	-71	143.7	-176.2	-59.6	157.9	-45	0	0	111
491	I	30.7	Very low	28.8	Very low	156 Å²	156	145.2 Å²	145.2	80%	0.8	80%	0.795	S	S	*	*			trans	-131.1	107.8	156.4	-59.8	-177.8	0	0	0	108.3	V493	I491-V493 HydrophobicContact CG2-CG2 4.43Å
492	S	25.8	Very low	28.8	Very low	107 Å²	107	145.7 Å²	145.7	75%	0.748	80%	0.797	S	S	*	*			trans	-94	132.7	168	35.8	0	0	0	0	109.8
493	V	30.5	Very low	28.6	Very low	119 Å²	119	144.9 Å²	144.9	72%	0.721	79%	0.793	S	S	*	*			trans	-150.1	93	167.3	-94.6	0	0	0	0	107	I491	I491-V493 HydrophobicContact CG2-CG2 4.43Å
494	T	29.3	Very low	28.7	Very low	122 Å²	122	146.5 Å²	146.5	75%	0.748	80%	0.795	S	S	*	*				53	106.7	88.4	66.7	0	0	0	0	113.8	S496	T494-S496 PolarHBondContact O-N 3.1Å
495	N	25.8	Very low	29	Very low	175 Å²	175	145.6 Å²	145.6	94%	0.936	79%	0.791	S	S	*	*			trans	-49	131.1	167.9	-79.6	-23	0	0	0	111.6
496	S	32.7	Very low	29.5	Very low	87 Å²	87	144.6 Å²	144.6	61%	0.608	78%	0.782	S	S	*	*			trans	-142.5	122.6	158.9	-143.9	0	0	0	0	110.3	T494 Y498	T494-S496 PolarHBondContact O-N 3.1Å; S496-Y498 WeakPolarHBondContact OG-CE2 3.36Å
497	S	27.4	Very low	30.7	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	76%	0.761	S	S	*	*			trans	-80.1	117.3	-177.3	175.3	0	0	0	0	110.6
498	Y	29.6	Very low	32.9	Very low	192 Å²	192	133.7 Å²	133.7	75%	0.753	74%	0.739	S	S	*	*			trans	-146.8	119.8	163.8	-63.9	-70.6	0	0	0	112.2	S496 V500	S496-Y498 WeakPolarHBondContact OG-CE2 3.36Å; Y498-V500 PolarHBondContact O-N 2.84Å
499	M	26.3	Very low	35.3	Very low	197 Å²	197	128.8 Å²	128.8	97%	0.97	71%	0.706	S	S	*	*			trans	-76.2	105.6	156.6	-74	-169	174.5	0	0	109.1
500	V	28.3	Very low	37.6	Very low	111 Å²	111	125.2 Å²	125.2	67%	0.673	68%	0.684	S	S	*	*			trans	-143.4	133.8	156.5	-175.6	0	0	0	0	109.6	Y498 N502	Y498-V500 PolarHBondContact O-N 2.84Å; V500-N502 PolarHBondContact O-N 2.8Å; V500-N502 VanDerWaalsContact O-N 3.11Å
501	T	26.9	Very low	39.9	Very low	137 Å²	137	119.3 Å²	119.3	84%	0.84	66%	0.661	S	S	*	*			trans	-58.6	105.6	173	51.4	0	0	0	0	111.8
502	N	27	Very low	42.4	Very low	155 Å²	155	113.6 Å²	113.6	83%	0.829	63%	0.632	S	S	*	*			trans	-103.2	122.9	166.5	-89.2	-24.5	0	0	0	110.6	V500	V500-N502 PolarHBondContact O-N 2.8Å; V500-N502 VanDerWaalsContact O-N 3.11Å
503	K	28.4	Very low	45.5	Very low	198 Å²	198	108.8 Å²	108.8	86%	0.861	60%	0.597	S	S	*	*			trans	-64	140.8	174.9	-70.3	175.1	175.3	176.8	0	110.2
504	S	30.2	Very low	47.9	Very low	100 Å²	100	106.3 Å²	106.3	70%	0.699	58%	0.579	S	S	*	*			trans	53.5	79.4	158.5	59.3	0	0	0	0	117.5
505	Q	36.3	Very low	50.4	Low	175 Å²	175	104.4 Å²	104.4	82%	0.818	57%	0.565	S	S	*	*				-107.6	138.7	129.7	-89.3	-171.6	-23.7	0	0	108.9	T507	Q505-T507 PolarHBondContact O-N 2.98Å; Q505-T507 VanDerWaalsContact O-N 3.07Å
506	P	40.3	Very low	53.4	Low	77 Å²	77	98.7 Å²	98.7	50%	0.5	53%	0.53	S	S	.	.			trans	-72.3	98.3	174.4	30.2	-33.1	0	0	0	109.2	D508 I629	P506-D508 PolarHBondContact O-N 2.6Å; P506-I629 WeakPolarHBondContact CA-O 3.3Å; P506-I629 WeakPolarHBondContact CB-O 3.44Å
507	T	54.2	Low	55.8	Low	50 Å²	50	94.5 Å²	94.5	31%	0.307	50%	0.501	S	S	.	.			trans	-66.9	126.5	168.5	53.9	0	0	0	0	108.8	Q505 I629	Q505-T507 PolarHBondContact O-N 2.98Å; Q505-T507 VanDerWaalsContact O-N 3.07Å; T507-I629 PolarHBondContact O-N 3.42Å
508	D	72.1	Confident	58.2	Low	88 Å²	88	93 Å²	93	47%	0.471	49%	0.488	S	S	.	.			trans	-61.8	161.9	167.7	58	60.9	0	0	0	110.9	P506 E510 T511 L512	P506-D508 PolarHBondContact O-N 2.6Å; D508-E510 PolarHBondContact O-N 3.32Å; D508-E510 PolarHBondContact OD1-N 2.83Å; D508-T511 VanDerWaalsContact OD1-CB 3.25Å; D508-T511 WeakPolarHBondContact OD1-CB 3.43Å; D508-T511 PolarHBondContact OD1-N 2.97Å; D508-T511 PolarHBondContact OD1-OG1 3.31Å; D508-T511 PolarHBondContact OD2-OG1 3.33Å; D508-L512 PolarHBondContact O-N 3.46Å
509	G	78.1	Confident	60.5	Low	7 Å²	7	88.9 Å²	88.9	7%	0.072	48%	0.475	C	S	.	.	H	α-helix	trans	-66.5	-23.7	-175.8	0	0	0	0	0	113.9	R513 H626	G509-R513 PolarHBondContact O-N 2.84Å; G509-H626 WeakPolarHBondContact CA-O 3.33Å
510	E	80.9	Confident	62.8	Low	84 Å²	84	79.9 Å²	79.9	39%	0.393	43%	0.432	S	S	.	.	H	α-helix	trans	-81.8	-40.6	-176.1	-174.5	62.5	-176.7	0	0	111.2	D508 L512 R513 L514	D508-E510 PolarHBondContact O-N 3.32Å; D508-E510 PolarHBondContact OD1-N 2.83Å; E510-L512 VanDerWaalsContact C-N 3.28Å; E510-L512 PolarHBondContact O-N 3.01Å; E510-R513 VanDerWaalsContact CD-NE 3.26Å; E510-R513 WeakPolarHBondContact O-CB 3.47Å; E510-R513 PolarHBondContact O-N 3.35Å; E510-R513 IonicContact OE1-CZ 2.71Å; E510-R513 VanDerWaalsContact OE1-CZ 3.25Å; E510-R513 IonicContact OE1-NE 3.81Å; E510-R513 PolarHBondContact OE1-NE 3.1Å; E510-R513 IonicContact OE1-NH2 3.66Å; E510-R513 PolarHBondContact OE1-NH2 2.83Å; E510-R513 IonicContact OE2-CZ 3.53Å; E510-R513 IonicContact OE2-NE 2.79Å; E510-R513 PolarHBondContact OE2-NE 3.17Å; E510-R513 IonicContact OE2-NH2 3.9Å; E510-L514 VanDerWaalsContact O-CB 3.25Å; E510-L514 WeakPolarHBondContact O-CB 3.22Å; E510-L514 PolarHBondContact O-N 2.86Å
511	T	76.5	Confident	64.5	Low	57 Å²	57	79.8 Å²	79.8	35%	0.35	44%	0.436	S	S	.	.	H	α-helix	trans	-57.2	-42.9	167.5	-59.4	0	0	0	0	110.7	D508 L514 N515	D508-T511 VanDerWaalsContact OD1-CB 3.25Å; D508-T511 WeakPolarHBondContact OD1-CB 3.43Å; D508-T511 PolarHBondContact OD1-N 2.97Å; D508-T511 PolarHBondContact OD1-OG1 3.31Å; D508-T511 PolarHBondContact OD2-OG1 3.33Å; T511-L514 PolarHBondContact O-N 2.84Å; T511-N515 WeakPolarHBondContact O-CB 3.34Å; T511-N515 PolarHBondContact O-N 2.83Å; T511-N515 PolarHBondContact O-ND2 3Å
512	L	84.2	Confident	66.1	Low	35 Å²	35	75.4 Å²	75.4	18%	0.183	41%	0.409	C	S	.	.	H	α-helix	trans	-62.6	-46.7	175.6	-179.5	62.3	0	0	0	111.9	D508 E510 N515 Y516 W533	D508-L512 PolarHBondContact O-N 3.46Å; E510-L512 VanDerWaalsContact C-N 3.28Å; E510-L512 PolarHBondContact O-N 3.01Å; L512-N515 PolarHBondContact O-N 2.87Å; L512-Y516 HydrophobicContact CD1-CD2 4.44Å; L512-Y516 HydrophobicContact CD1-CE2 3.81Å; L512-Y516 HydrophobicContact CG-CE2 4.2Å; L512-Y516 VanDerWaalsContact O-CD2 3.25Å; L512-Y516 WeakPolarHBondContact O-CD2 3.27Å; L512-W533 HydrophobicContact CG-CZ3 4.32Å
513	R	90.7	Very high	67.4	Low	6 Å²	6	68 Å²	68	2%	0.023	37%	0.37	C	S	.	.	H	α-helix	trans	-57.8	-48.7	173.8	-177.6	-166.2	72.1	72.2	2.2	111.2	G509 E510 N515 Y516 A517 I527 R529 P530 F532 W533	G509-R513 PolarHBondContact O-N 2.84Å; E510-R513 VanDerWaalsContact CD-NE 3.26Å; E510-R513 WeakPolarHBondContact O-CB 3.47Å; E510-R513 PolarHBondContact O-N 3.35Å; E510-R513 IonicContact OE1-CZ 2.71Å; E510-R513 VanDerWaalsContact OE1-CZ 3.25Å; E510-R513 IonicContact OE1-NE 3.81Å; E510-R513 PolarHBondContact OE1-NE 3.1Å; E510-R513 IonicContact OE1-NH2 3.66Å; E510-R513 PolarHBondContact OE1-NH2 2.83Å; E510-R513 IonicContact OE2-CZ 3.53Å; E510-R513 IonicContact OE2-NE 2.79Å; E510-R513 PolarHBondContact OE2-NE 3.17Å; E510-R513 IonicContact OE2-NH2 3.9Å; R513-N515 VanDerWaalsContact C-N 3.33Å; R513-N515 PolarHBondContact O-N 2.82Å; R513-Y516 PolarHBondContact O-N 3.48Å; R513-Y516 VanDerWaalsContact O-N 3.17Å; R513-A517 WeakPolarHBondContact O-CB 3.35Å; R513-A517 PolarHBondContact O-N 2.76Å; R513-I527 PolarHBondContact NH1-O 3.32Å; R513-I527 PolarHBondContact NH2-O 2.86Å; R513-I527 VanDerWaalsContact NH2-O 3.16Å; R513-R529 PolarHBondContact NH1-O 3.44Å; R513-P530 VanDerWaalsContact CD-O 3.29Å; R513-P530 WeakPolarHBondContact CD-O 3.38Å; R513-F532 WeakPolarHBondContact CD-O 3.42Å; R513-F532 WeakPolarHBondContact CG-O 2.97Å; R513-F532 PolarHBondContact NH1-O 3.33Å; R513-W533 HydrophobicContact CB-CD2 4.16Å; R513-W533 HydrophobicContact CB-CE3 4.35Å; R513-W533 HydrophobicContact CB-CH2 4.11Å; R513-W533 HydrophobicContact CB-CZ2 3.94Å; R513-W533 HydrophobicContact CB-CZ3 4.32Å; R513-W533 HydrophobicContact CG-CD2 3.79Å; R513-W533 HydrophobicContact CG-CE3 4.38Å; R513-W533 HydrophobicContact CG-CG 3.91Å; R513-W533 HydrophobicContact CG-CZ2 4.19Å
514	L	81.3	Confident	68.4	Low	67 Å²	67	62.2 Å²	62.2	35%	0.351	35%	0.353	S	S	.	.	H	α-helix	trans	-66.2	-35	-174.8	-167.7	67	0	0	0	112	E510 T511 Y516 A517 T518 I527	E510-L514 VanDerWaalsContact O-CB 3.25Å; E510-L514 WeakPolarHBondContact O-CB 3.22Å; E510-L514 PolarHBondContact O-N 2.86Å; T511-L514 PolarHBondContact O-N 2.84Å; L514-Y516 VanDerWaalsContact C-N 3.31Å; L514-Y516 PolarHBondContact O-N 2.79Å; L514-A517 PolarHBondContact O-N 3.1Å; L514-T518 HydrophobicContact CD1-CG2 4.03Å; L514-T518 HydrophobicContact CG-CG2 4Å; L514-T518 WeakPolarHBondContact O-CB 3.16Å; L514-T518 VanDerWaalsContact O-CG2 3.3Å; L514-T518 WeakPolarHBondContact O-CG2 3.42Å; L514-T518 PolarHBondContact O-N 3.13Å; L514-T518 PolarHBondContact O-OG1 3.02Å; L514-I527 HydrophobicContact CD1-CG2 3.54Å
515	N	80.7	Confident	70	Confident	83 Å²	83	64.3 Å²	64.3	44%	0.444	36%	0.356	S	S	.	.	H	α-helix	trans	-58.1	-40.4	172.6	-75.8	-26.2	0	0	0	112.2	T511 L512 R513 T518 Q519	T511-N515 WeakPolarHBondContact O-CB 3.34Å; T511-N515 PolarHBondContact O-N 2.83Å; T511-N515 PolarHBondContact O-ND2 3Å; L512-N515 PolarHBondContact O-N 2.87Å; R513-N515 VanDerWaalsContact C-N 3.33Å; R513-N515 PolarHBondContact O-N 2.82Å; N515-T518 PolarHBondContact O-OG1 2.99Å; N515-Q519 WeakPolarHBondContact O-CG 3.36Å; N515-Q519 PolarHBondContact O-NE2 2.95Å
516	Y	88.7	Confident	71.8	Confident	54 Å²	54	56.8 Å²	56.8	21%	0.212	32%	0.32	C	S	.	.	H	α-helix	trans	-79.3	-36.7	174.6	-64.9	-69.3	0	0	0	112.7	L512 R513 L514 Q519 W533 I535 I536	L512-Y516 HydrophobicContact CD1-CD2 4.44Å; L512-Y516 HydrophobicContact CD1-CE2 3.81Å; L512-Y516 HydrophobicContact CG-CE2 4.2Å; L512-Y516 VanDerWaalsContact O-CD2 3.25Å; L512-Y516 WeakPolarHBondContact O-CD2 3.27Å; R513-Y516 PolarHBondContact O-N 3.48Å; R513-Y516 VanDerWaalsContact O-N 3.17Å; L514-Y516 VanDerWaalsContact C-N 3.31Å; L514-Y516 PolarHBondContact O-N 2.79Å; Y516-Q519 PolarHBondContact O-N 3.16Å; Y516-W533 CarbonylContact C-O 3.45Å; Y516-W533 VanDerWaalsContact C-O 3.24Å; Y516-W533 WeakPolarHBondContact CB-O 3.3Å; Y516-W533 AromaticContact CD2-CE3 3.88Å; Y516-W533 HydrophobicContact CD2-CE3 3.88Å; Y516-W533 AromaticContact CD2-CZ3 3.97Å; Y516-W533 HydrophobicContact CD2-CZ3 3.97Å; Y516-W533 HydrophobicContact CE2-CE3 4.44Å; Y516-W533 HydrophobicContact CE2-CZ3 4.21Å; Y516-I535 WeakPolarHBondContact CD1-O 3.33Å; Y516-I535 PolarHBondContact O-N 2.85Å; Y516-I535 VanDerWaalsContact O-N 3.08Å; Y516-I536 HydrophobicContact CD1-CB 4.27Å; Y516-I536 HydrophobicContact CD2-CB 4.49Å; Y516-I536 HydrophobicContact CE2-CD1 4.25Å; Y516-I536 HydrophobicContact CG-CB 4.24Å
517	A	84.2	Confident	73.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-43.9	-179.5	0	0	0	0	0	112.7	R513 L514 Q519 S520 I527 F532 W533	R513-A517 WeakPolarHBondContact O-CB 3.35Å; R513-A517 PolarHBondContact O-N 2.76Å; L514-A517 PolarHBondContact O-N 3.1Å; A517-Q519 VanDerWaalsContact C-N 3.25Å; A517-Q519 PolarHBondContact O-N 3.32Å; A517-S520 VanDerWaalsContact O-CB 3.24Å; A517-S520 WeakPolarHBondContact O-CB 3.35Å; A517-S520 PolarHBondContact O-N 3.1Å; A517-S520 VanDerWaalsContact O-N 3.11Å; A517-I527 HydrophobicContact CB-CG2 4.49Å; A517-F532 HydrophobicContact CB-CD1 4.02Å; A517-F532 HydrophobicContact CB-CE1 4.31Å; A517-W533 PolarHBondContact N-O 3.01Å
518	T	77.1	Confident	74.1	Confident	80 Å²	80	57 Å²	57	49%	0.491	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.2	-179	50.5	0	0	0	0	114.1	L514 N515 S520 I527	L514-T518 HydrophobicContact CD1-CG2 4.03Å; L514-T518 HydrophobicContact CG-CG2 4Å; L514-T518 WeakPolarHBondContact O-CB 3.16Å; L514-T518 VanDerWaalsContact O-CG2 3.3Å; L514-T518 WeakPolarHBondContact O-CG2 3.42Å; L514-T518 PolarHBondContact O-N 3.13Å; L514-T518 PolarHBondContact O-OG1 3.02Å; N515-T518 PolarHBondContact O-OG1 2.99Å; T518-S520 VanDerWaalsContact C-N 3.31Å; T518-I527 HydrophobicContact CG2-CG2 4.16Å
519	Q	78.1	Confident	74.7	Confident	106 Å²	106	57.8 Å²	57.8	50%	0.495	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.6	173.5	-67.8	177.5	68.9	0	0	112.7	N515 Y516 A517 S521 I535	N515-Q519 WeakPolarHBondContact O-CG 3.36Å; N515-Q519 PolarHBondContact O-NE2 2.95Å; Y516-Q519 PolarHBondContact O-N 3.16Å; A517-Q519 VanDerWaalsContact C-N 3.25Å; A517-Q519 PolarHBondContact O-N 3.32Å; Q519-S521 PolarHBondContact O-N 3.46Å; Q519-I535 HydrophobicContact CB-CB 4.45Å; Q519-I535 HydrophobicContact CB-CD1 4.14Å; Q519-I535 HydrophobicContact CB-CG1 4.33Å; Q519-I535 WeakPolarHBondContact O-CD1 3.46Å
520	S	75.1	Confident	75.1	Confident	8 Å²	8	60.4 Å²	60.4	6%	0.056	33%	0.327	C	S	.	.			trans	-66.2	128.1	-175.9	-176.4	0	0	0	0	113.6	A517 T518 T522 G523 F532 D558	A517-S520 VanDerWaalsContact O-CB 3.24Å; A517-S520 WeakPolarHBondContact O-CB 3.35Å; A517-S520 PolarHBondContact O-N 3.1Å; A517-S520 VanDerWaalsContact O-N 3.11Å; T518-S520 VanDerWaalsContact C-N 3.31Å; S520-T522 PolarHBondContact OG-N 3.16Å; S520-G523 PolarHBondContact OG-N 3.08Å; S520-F532 WeakPolarHBondContact OG-CZ 3.48Å; S520-D558 WeakPolarHBondContact CA-OD2 3.34Å; S520-D558 VanDerWaalsContact CB-OD2 3.22Å; S520-D558 WeakPolarHBondContact CB-OD2 3.12Å; S520-D558 PolarHBondContact OG-OD1 3.01Å; S520-D558 PolarHBondContact OG-OD2 2.8Å
521	S	63.8	Low	75.7	Confident	109 Å²	109	57 Å²	57	76%	0.762	31%	0.311	S	S	*	.	S	Bend	trans	-83.6	-20.3	170.5	68	0	0	0	0	113.5	Q519	Q519-S521 PolarHBondContact O-N 3.46Å
522	T	60.8	Low	76.5	Confident	45 Å²	45	54.3 Å²	54.3	28%	0.276	29%	0.294	S	S	.	.	S	Bend	trans	-99.5	-36.1	-171.9	0.1	0	0	0	0	113.3	S520 D558 G564	S520-T522 PolarHBondContact OG-N 3.16Å; T522-D558 VanDerWaalsContact CB-OD1 3.31Å; T522-D558 WeakPolarHBondContact CB-OD1 3.32Å; T522-D558 PolarHBondContact OG1-OD1 2.7Å; T522-D558 PolarHBondContact OG1-OD2 3.16Å; T522-G564 VanDerWaalsContact CG2-CA 3.43Å; T522-G564 VanDerWaalsContact CG2-O 3.31Å; T522-G564 WeakPolarHBondContact CG2-O 3.21Å
523	G	53.7	Low	76.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.			trans	-113	31.4	-175.1	0	0	0	0	0	114.1	S520 L525 H526 I527 F532	S520-G523 PolarHBondContact OG-N 3.08Å; G523-L525 PolarHBondContact O-N 3.12Å; G523-L525 VanDerWaalsContact O-N 3.16Å; G523-H526 CarbonylContact O-C 3.54Å; G523-H526 WeakPolarHBondContact O-CA 3.17Å; G523-H526 PolarHBondContact O-N 2.83Å; G523-I527 PolarHBondContact O-N 3.16Å; G523-F532 VanDerWaalsContact CA-CZ 3.46Å; G523-F532 WeakPolarHBondContact O-CE1 3.25Å
524	C	50.2	Low	77	Confident	76 Å²	76	52.5 Å²	52.5	51%	0.514	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-57	-28.2	172.3	64.9	0	0	0	0	112.9	H526 I527	C524-H526 PolarHBondContact O-N 3.22Å; C524-I527 HydrophobicContact CB-CD1 4.22Å
525	L	62.6	Low	77.4	Confident	144 Å²	144	53.2 Å²	53.2	75%	0.754	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-67.8	-19	171.5	-59.2	178.2	0	0	0	113.8	G523	G523-L525 PolarHBondContact O-N 3.12Å; G523-L525 VanDerWaalsContact O-N 3.16Å
526	H	74.2	Confident	78	Confident	16 Å²	16	49.5 Å²	49.5	7%	0.074	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-114.1	3.9	-171.1	-55.4	-47.9	0	0	0	113.1	G523 C524 N528 R529 W531 F532 Y588 I598	G523-H526 CarbonylContact O-C 3.54Å; G523-H526 WeakPolarHBondContact O-CA 3.17Å; G523-H526 PolarHBondContact O-N 2.83Å; C524-H526 PolarHBondContact O-N 3.22Å; H526-N528 PolarHBondContact O-N 2.9Å; H526-N528 VanDerWaalsContact O-N 3.08Å; H526-R529 HydrophobicContact CB-CG 4.22Å; H526-R529 VanDerWaalsContact O-CB 3.28Å; H526-R529 WeakPolarHBondContact O-CB 3.06Å; H526-R529 PolarHBondContact O-N 2.86Å; H526-W531 HydrophobicContact CB-CH2 3.98Å; H526-W531 HydrophobicContact CB-CZ3 4.08Å; H526-W531 AromaticContact CG-CH2 3.84Å; H526-W531 AromaticContact ND1-CH2 3.86Å; H526-F532 HydrophobicContact CB-CB 4.03Å; H526-F532 HydrophobicContact CB-CD1 4Å; H526-F532 HydrophobicContact CB-CD2 3.98Å; H526-F532 HydrophobicContact CB-CG 3.71Å; H526-F532 WeakPolarHBondContact O-CB 3.49Å; H526-Y588 PolarHBondContact NE2-OH 3Å; H526-I598 WeakPolarHBondContact CE1-CG2 3.18Å
527	I	71.9	Confident	78.3	Confident	35 Å²	35	48.5 Å²	48.5	18%	0.179	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-37.1	-178.7	-70.5	170.3	0	0	0	112.3	R513 L514 A517 T518 G523 C524 R529	R513-I527 PolarHBondContact NH1-O 3.32Å; R513-I527 PolarHBondContact NH2-O 2.86Å; R513-I527 VanDerWaalsContact NH2-O 3.16Å; L514-I527 HydrophobicContact CD1-CG2 3.54Å; A517-I527 HydrophobicContact CB-CG2 4.49Å; T518-I527 HydrophobicContact CG2-CG2 4.16Å; G523-I527 PolarHBondContact O-N 3.16Å; C524-I527 HydrophobicContact CB-CD1 4.22Å; I527-R529 VanDerWaalsContact C-N 3.3Å; I527-R529 PolarHBondContact O-N 2.83Å
528	N	70.6	Confident	78.9	Confident	98 Å²	98	54.6 Å²	54.6	52%	0.524	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.7	-178.5	-59.4	-7.5	0	0	0	113.6	H526	H526-N528 PolarHBondContact O-N 2.9Å; H526-N528 VanDerWaalsContact O-N 3.08Å
529	R	84.6	Confident	79.7	Confident	103 Å²	103	54 Å²	54	39%	0.389	30%	0.295	S	S	.	.			trans	-92.3	126.7	176.1	-62.3	-67	-157.7	-160.4	6.6	109.2	R513 H526 I527 W531 F532 D599	R513-R529 PolarHBondContact NH1-O 3.44Å; H526-R529 HydrophobicContact CB-CG 4.22Å; H526-R529 VanDerWaalsContact O-CB 3.28Å; H526-R529 WeakPolarHBondContact O-CB 3.06Å; H526-R529 PolarHBondContact O-N 2.86Å; I527-R529 VanDerWaalsContact C-N 3.3Å; I527-R529 PolarHBondContact O-N 2.83Å; R529-W531 HydrophobicContact CB-CD2 3.82Å; R529-W531 HydrophobicContact CB-CE3 4.1Å; R529-W531 HydrophobicContact CB-CG 4.45Å; R529-W531 HydrophobicContact CB-CH2 3.86Å; R529-W531 HydrophobicContact CB-CZ2 3.59Å; R529-W531 HydrophobicContact CB-CZ3 4.13Å; R529-W531 HydrophobicContact CG-CH2 3.76Å; R529-W531 HydrophobicContact CG-CZ2 3.44Å; R529-W531 VanDerWaalsContact CG-CZ2 3.44Å; R529-W531 HydrophobicContact CG-CZ3 4.48Å; R529-W531 PolarHBondContact O-N 2.67Å; R529-F532 HydrophobicContact CB-CB 4.12Å; R529-F532 WeakPolarHBondContact O-CB 3.3Å; R529-F532 PolarHBondContact O-N 3.43Å; R529-D599 IonicContact CZ-OD1 3.63Å; R529-D599 IonicContact CZ-OD2 2.68Å; R529-D599 IonicContact NE-OD1 2.68Å; R529-D599 PolarHBondContact NE-OD1 2.94Å; R529-D599 VanDerWaalsContact NE-OD1 3.11Å; R529-D599 IonicContact NE-OD2 2.79Å; R529-D599 IonicContact NH2-OD1 2.72Å; R529-D599 PolarHBondContact NH2-OD1 2.8Å; R529-D599 VanDerWaalsContact NH2-OD1 3.1Å; R529-D599 IonicContact NH2-OD2 2.76Å; R529-D599 PolarHBondContact NH2-OD2 2.82Å
530	P	86.9	Confident	80.5	Confident	62 Å²	62	53 Å²	53	40%	0.403	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.6	-174.6	26.3	-35.3	0	0	0	113.2	R513 F532 P623	R513-P530 VanDerWaalsContact CD-O 3.29Å; R513-P530 WeakPolarHBondContact CD-O 3.38Å; P530-F532 VanDerWaalsContact C-N 3.29Å; P530-P623 HydrophobicContact CB-CB 4.26Å; P530-P623 HydrophobicContact CG-CB 4.37Å; P530-P623 HydrophobicContact CG-CG 4.12Å
531	W	93.1	Very high	81.5	Confident	14 Å²	14	52.6 Å²	52.6	5%	0.053	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.8	172.7	46	-107.6	0	0	0	113.3	H526 R529 F554 I555 V556 I598 I602 P623	H526-W531 HydrophobicContact CB-CH2 3.98Å; H526-W531 HydrophobicContact CB-CZ3 4.08Å; H526-W531 AromaticContact CG-CH2 3.84Å; H526-W531 AromaticContact ND1-CH2 3.86Å; R529-W531 HydrophobicContact CB-CD2 3.82Å; R529-W531 HydrophobicContact CB-CE3 4.1Å; R529-W531 HydrophobicContact CB-CG 4.45Å; R529-W531 HydrophobicContact CB-CH2 3.86Å; R529-W531 HydrophobicContact CB-CZ2 3.59Å; R529-W531 HydrophobicContact CB-CZ3 4.13Å; R529-W531 HydrophobicContact CG-CH2 3.76Å; R529-W531 HydrophobicContact CG-CZ2 3.44Å; R529-W531 VanDerWaalsContact CG-CZ2 3.44Å; R529-W531 HydrophobicContact CG-CZ3 4.48Å; R529-W531 PolarHBondContact O-N 2.67Å; W531-F554 HydrophobicContact CB-CD2 4.31Å; W531-F554 HydrophobicContact CB-CE2 3.59Å; W531-F554 HydrophobicContact CB-CZ 4.12Å; W531-F554 HydrophobicContact CG-CE2 4.13Å; W531-I555 CarbonylContact O-C 3.59Å; W531-I555 WeakPolarHBondContact O-CA 3.33Å; W531-V556 HydrophobicContact CB-CG2 4.48Å; W531-V556 HydrophobicContact CD2-CG2 4.11Å; W531-V556 HydrophobicContact CE3-CB 3.67Å; W531-V556 HydrophobicContact CE3-CG1 4.48Å; W531-V556 HydrophobicContact CE3-CG2 3.36Å; W531-V556 HydrophobicContact CZ3-CB 4.01Å; W531-V556 HydrophobicContact CZ3-CG1 4.34Å; W531-V556 HydrophobicContact CZ3-CG2 3.93Å; W531-V556 PolarHBondContact O-N 2.85Å; W531-I598 HydrophobicContact CH2-CB 4.47Å; W531-I598 HydrophobicContact CH2-CD1 4.04Å; W531-I598 HydrophobicContact CH2-CG1 4.25Å; W531-I598 HydrophobicContact CH2-CG2 3.45Å; W531-I598 VanDerWaalsContact CH2-CG2 3.45Å; W531-I598 HydrophobicContact CZ2-CG2 3.91Å; W531-I598 HydrophobicContact CZ3-CD1 3.99Å; W531-I598 HydrophobicContact CZ3-CG2 4.43Å; W531-I602 HydrophobicContact CD2-CD1 3.48Å; W531-I602 VanDerWaalsContact CD2-CD1 3.48Å; W531-I602 HydrophobicContact CE3-CD1 3.93Å; W531-I602 HydrophobicContact CG-CD1 3.91Å; W531-I602 HydrophobicContact CH2-CD1 4.14Å; W531-I602 HydrophobicContact CZ2-CD1 3.66Å; W531-I602 HydrophobicContact CZ3-CD1 4.25Å; W531-P623 HydrophobicContact CB-CB 3.88Å; W531-P623 HydrophobicContact CB-CG 3.97Å; W531-P623 HydrophobicContact CG-CG 4.48Å
532	F	93.8	Very high	83	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.2	-175.9	-169.8	-108.5	0	0	0	111.7	R513 A517 S520 G523 H526 R529 P530 V556 L566	R513-F532 WeakPolarHBondContact CD-O 3.42Å; R513-F532 WeakPolarHBondContact CG-O 2.97Å; R513-F532 PolarHBondContact NH1-O 3.33Å; A517-F532 HydrophobicContact CB-CD1 4.02Å; A517-F532 HydrophobicContact CB-CE1 4.31Å; S520-F532 WeakPolarHBondContact OG-CZ 3.48Å; G523-F532 VanDerWaalsContact CA-CZ 3.46Å; G523-F532 WeakPolarHBondContact O-CE1 3.25Å; H526-F532 HydrophobicContact CB-CB 4.03Å; H526-F532 HydrophobicContact CB-CD1 4Å; H526-F532 HydrophobicContact CB-CD2 3.98Å; H526-F532 HydrophobicContact CB-CG 3.71Å; H526-F532 WeakPolarHBondContact O-CB 3.49Å; R529-F532 HydrophobicContact CB-CB 4.12Å; R529-F532 WeakPolarHBondContact O-CB 3.3Å; R529-F532 PolarHBondContact O-N 3.43Å; P530-F532 VanDerWaalsContact C-N 3.29Å; F532-V556 HydrophobicContact CD2-CB 4.23Å; F532-V556 HydrophobicContact CD2-CG1 4.26Å; F532-L566 HydrophobicContact CE2-CD2 4.2Å
533	W	93.6	Very high	84.5	Confident	2 Å²	2	53 Å²	53	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-2.5	-178.3	-81.2	69	0	0	0	113.1	L512 R513 Y516 A517 I535 I536 M544 I555 V556 F624 H626	L512-W533 HydrophobicContact CG-CZ3 4.32Å; R513-W533 HydrophobicContact CB-CD2 4.16Å; R513-W533 HydrophobicContact CB-CE3 4.35Å; R513-W533 HydrophobicContact CB-CH2 4.11Å; R513-W533 HydrophobicContact CB-CZ2 3.94Å; R513-W533 HydrophobicContact CB-CZ3 4.32Å; R513-W533 HydrophobicContact CG-CD2 3.79Å; R513-W533 HydrophobicContact CG-CE3 4.38Å; R513-W533 HydrophobicContact CG-CG 3.91Å; R513-W533 HydrophobicContact CG-CZ2 4.19Å; Y516-W533 CarbonylContact C-O 3.45Å; Y516-W533 VanDerWaalsContact C-O 3.24Å; Y516-W533 WeakPolarHBondContact CB-O 3.3Å; Y516-W533 AromaticContact CD2-CE3 3.88Å; Y516-W533 HydrophobicContact CD2-CE3 3.88Å; Y516-W533 AromaticContact CD2-CZ3 3.97Å; Y516-W533 HydrophobicContact CD2-CZ3 3.97Å; Y516-W533 HydrophobicContact CE2-CE3 4.44Å; Y516-W533 HydrophobicContact CE2-CZ3 4.21Å; A517-W533 PolarHBondContact N-O 3.01Å; W533-I535 PolarHBondContact O-N 3.5Å; W533-I536 HydrophobicContact CB-CG2 3.82Å; W533-I536 HydrophobicContact CE3-CD1 3.96Å; W533-I536 HydrophobicContact CZ3-CD1 4.34Å; W533-M544 HydrophobicContact CD2-CE 4.06Å; W533-M544 HydrophobicContact CE3-CE 3.82Å; W533-M544 HydrophobicContact CE3-SD 4.16Å; W533-M544 HydrophobicContact CH2-CE 3.81Å; W533-M544 HydrophobicContact CH2-SD 3.45Å; W533-M544 WeakPolarHBondContact CH2-SD 3.48Å; W533-M544 HydrophobicContact CZ2-CE 4.01Å; W533-M544 HydrophobicContact CZ2-SD 4.16Å; W533-M544 HydrophobicContact CZ3-CE 3.7Å; W533-M544 HydrophobicContact CZ3-SD 3.43Å; W533-M544 WeakPolarHBondContact CZ3-SD 3.48Å; W533-I555 HydrophobicContact CB-CB 4.41Å; W533-I555 HydrophobicContact CB-CD1 3.97Å; W533-I555 HydrophobicContact CD2-CD1 4.29Å; W533-I555 HydrophobicContact CD2-CG2 4.36Å; W533-I555 HydrophobicContact CG-CB 3.99Å; W533-I555 HydrophobicContact CG-CD1 3.89Å; W533-I555 HydrophobicContact CG-CG2 3.99Å; W533-V556 PolarHBondContact N-O 3.02Å; W533-F624 HydrophobicContact CH2-CE1 4.21Å; W533-F624 AromaticContact CZ2-CD1 3.8Å; W533-F624 HydrophobicContact CZ2-CD1 3.8Å; W533-F624 AromaticContact CZ2-CE1 3.85Å; W533-F624 HydrophobicContact CZ2-CE1 3.85Å; W533-H626 HydrophobicContact CH2-CB 3.85Å; W533-H626 HydrophobicContact CZ2-CB 4.19Å
534	G	91.1	Very high	86.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.2	-128.3	176.2	0	0	0	0	0	114.7	I536 R557 D558	G534-I536 VanDerWaalsContact C-N 3.31Å; G534-I536 PolarHBondContact O-N 3.32Å; G534-R557 CarbonylContact O-C 3.58Å; G534-R557 WeakPolarHBondContact O-CA 3.2Å; G534-R557 WeakPolarHBondContact O-CB 3.34Å; G534-D558 PolarHBondContact O-N 3.05Å
535	I	91.3	Very high	88.6	Confident	83 Å²	83	50.2 Å²	50.2	43%	0.426	25%	0.254	S	S	.	.	S	Bend	trans	-85.9	71	-173.9	-50	-173.4	0	0	0	110.5	Y516 Q519 W533 D558	Y516-I535 WeakPolarHBondContact CD1-O 3.33Å; Y516-I535 PolarHBondContact O-N 2.85Å; Y516-I535 VanDerWaalsContact O-N 3.08Å; Q519-I535 HydrophobicContact CB-CB 4.45Å; Q519-I535 HydrophobicContact CB-CD1 4.14Å; Q519-I535 HydrophobicContact CB-CG1 4.33Å; Q519-I535 WeakPolarHBondContact O-CD1 3.46Å; W533-I535 PolarHBondContact O-N 3.5Å; I535-D558 WeakPolarHBondContact CG1-OD2 3.46Å
536	I	93.4	Very high	90	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	25%	0.248	C	C	.	.			trans	-105.7	130.7	164.2	-175.4	172.3	0	0	0	109.2	Y516 W533 G534 E540 C541 M544 I555 R557	Y516-I536 HydrophobicContact CD1-CB 4.27Å; Y516-I536 HydrophobicContact CD2-CB 4.49Å; Y516-I536 HydrophobicContact CE2-CD1 4.25Å; Y516-I536 HydrophobicContact CG-CB 4.24Å; W533-I536 HydrophobicContact CB-CG2 3.82Å; W533-I536 HydrophobicContact CE3-CD1 3.96Å; W533-I536 HydrophobicContact CZ3-CD1 4.34Å; G534-I536 VanDerWaalsContact C-N 3.31Å; G534-I536 PolarHBondContact O-N 3.32Å; I536-E540 HydrophobicContact CD1-CB 4.29Å; I536-E540 HydrophobicContact CG1-CB 3.9Å; I536-C541 HydrophobicContact CD1-CB 4.18Å; I536-C541 HydrophobicContact CG1-CB 4.2Å; I536-C541 HydrophobicContact CG2-CB 4.42Å; I536-M544 HydrophobicContact CD1-CE 3.6Å; I536-M544 HydrophobicContact CD1-SD 4.03Å; I536-I555 HydrophobicContact CD1-CD1 4.5Å; I536-I555 HydrophobicContact CG2-CD1 3.82Å; I536-R557 HydrophobicContact CG2-CB 3.59Å; I536-R557 HydrophobicContact CG2-CG 4.39Å; I536-R557 PolarHBondContact O-NH1 2.63Å
537	S	94.8	Very high	90.8	Very high	33 Å²	33	51.8 Å²	51.8	23%	0.231	27%	0.272	C	S	.	.			trans	-66.3	160.7	-178.7	72.2	0	0	0	0	111.5	A539 E540 C541 E560	S537-A539 VanDerWaalsContact C-N 3.29Å; S537-A539 PolarHBondContact O-N 3.06Å; S537-E540 WeakPolarHBondContact CB-OE2 3.34Å; S537-E540 PolarHBondContact N-OE2 3.42Å; S537-E540 VanDerWaalsContact N-OE2 3.11Å; S537-E540 WeakPolarHBondContact OG-CB 3.42Å; S537-E540 VanDerWaalsContact OG-CG 3.24Å; S537-E540 WeakPolarHBondContact OG-CG 3.28Å; S537-E540 PolarHBondContact OG-N 3.21Å; S537-E540 PolarHBondContact OG-OE2 3.05Å; S537-C541 WeakPolarHBondContact O-CB 3.46Å; S537-C541 PolarHBondContact O-N 3.24Å; S537-E560 VanDerWaalsContact CA-OE1 3.23Å; S537-E560 WeakPolarHBondContact CA-OE1 3.38Å; S537-E560 WeakPolarHBondContact CB-OE1 3.49Å
538	R	95.3	Very high	91.7	Very high	127 Å²	127	54.3 Å²	54.3	48%	0.479	28%	0.283	S	S	.	.	H	α-helix	trans	-57.7	-44.7	174.3	-178.4	169.1	177.6	-179.5	-3.1	111.3	C541 E542 E560	R538-C541 PolarHBondContact O-N 3.41Å; R538-E542 HydrophobicContact CG-CG 4.12Å; R538-E542 IonicContact CZ-OE1 3.63Å; R538-E542 VanDerWaalsContact CZ-OE1 3.3Å; R538-E542 IonicContact NE-OE1 3.54Å; R538-E542 PolarHBondContact NE-OE1 3.17Å; R538-E542 IonicContact NE-OE2 3.6Å; R538-E542 IonicContact NH2-OE1 2.74Å; R538-E542 PolarHBondContact NH2-OE1 2.77Å; R538-E542 VanDerWaalsContact O-CB 3.31Å; R538-E542 WeakPolarHBondContact O-CB 3.34Å; R538-E542 WeakPolarHBondContact O-CG 3.08Å; R538-E542 PolarHBondContact O-N 3.01Å; R538-E560 WeakPolarHBondContact CB-OE2 3.2Å; R538-E560 PolarHBondContact N-OE1 2.72Å; R538-E560 PolarHBondContact N-OE2 3.34Å; R538-E560 VanDerWaalsContact N-OE2 3.12Å
539	A	94.7	Very high	92.6	Very high	67 Å²	67	50.3 Å²	50.3	55%	0.554	26%	0.263	S	S	*	.	H	α-helix	trans	-64.6	-49	-176.5	0	0	0	0	0	111.5	S537 C541 E542 E543	S537-A539 VanDerWaalsContact C-N 3.29Å; S537-A539 PolarHBondContact O-N 3.06Å; A539-C541 PolarHBondContact O-N 3.2Å; A539-E542 PolarHBondContact O-N 2.93Å; A539-E543 WeakPolarHBondContact O-CB 3.4Å; A539-E543 PolarHBondContact O-N 2.81Å
540	E	94.9	Very high	93	Very high	86 Å²	86	50.6 Å²	50.6	40%	0.402	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-42.1	177.8	-67.5	159.4	143.1	0	0	111.4	I536 S537 E543 M544	I536-E540 HydrophobicContact CD1-CB 4.29Å; I536-E540 HydrophobicContact CG1-CB 3.9Å; S537-E540 WeakPolarHBondContact CB-OE2 3.34Å; S537-E540 PolarHBondContact N-OE2 3.42Å; S537-E540 VanDerWaalsContact N-OE2 3.11Å; S537-E540 WeakPolarHBondContact OG-CB 3.42Å; S537-E540 VanDerWaalsContact OG-CG 3.24Å; S537-E540 WeakPolarHBondContact OG-CG 3.28Å; S537-E540 PolarHBondContact OG-N 3.21Å; S537-E540 PolarHBondContact OG-OE2 3.05Å; E540-E543 PolarHBondContact O-N 2.79Å; E540-M544 WeakPolarHBondContact O-CB 3.32Å; E540-M544 PolarHBondContact O-N 2.98Å
541	C	95.5	Very high	93.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-45.8	175.6	171.3	0	0	0	0	112.3	I536 S537 R538 A539 L545 I555 T569	I536-C541 HydrophobicContact CD1-CB 4.18Å; I536-C541 HydrophobicContact CG1-CB 4.2Å; I536-C541 HydrophobicContact CG2-CB 4.42Å; S537-C541 WeakPolarHBondContact O-CB 3.46Å; S537-C541 PolarHBondContact O-N 3.24Å; R538-C541 PolarHBondContact O-N 3.41Å; A539-C541 PolarHBondContact O-N 3.2Å; C541-L545 WeakPolarHBondContact O-CB 3.43Å; C541-L545 WeakPolarHBondContact O-CG 3.5Å; C541-L545 PolarHBondContact O-N 2.68Å; C541-I555 HydrophobicContact CB-CD1 4.08Å; C541-I555 WeakPolarHBondContact SG-CD1 3.25Å; C541-T569 WeakPolarHBondContact SG-CB 3.35Å; C541-T569 VanDerWaalsContact SG-CG2 3.51Å
542	E	95.2	Very high	93.1	Very high	52 Å²	52	51.3 Å²	51.3	24%	0.243	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-39	-179.9	-70.9	-177.8	165.8	0	0	111.6	R538 A539 G546 T576 N578	R538-E542 HydrophobicContact CG-CG 4.12Å; R538-E542 IonicContact CZ-OE1 3.63Å; R538-E542 VanDerWaalsContact CZ-OE1 3.3Å; R538-E542 IonicContact NE-OE1 3.54Å; R538-E542 PolarHBondContact NE-OE1 3.17Å; R538-E542 IonicContact NE-OE2 3.6Å; R538-E542 IonicContact NH2-OE1 2.74Å; R538-E542 PolarHBondContact NH2-OE1 2.77Å; R538-E542 VanDerWaalsContact O-CB 3.31Å; R538-E542 WeakPolarHBondContact O-CB 3.34Å; R538-E542 WeakPolarHBondContact O-CG 3.08Å; R538-E542 PolarHBondContact O-N 3.01Å; A539-E542 PolarHBondContact O-N 2.93Å; E542-G546 PolarHBondContact O-N 2.86Å; E542-T576 VanDerWaalsContact CG-OG1 3.26Å; E542-T576 WeakPolarHBondContact CG-OG1 3.5Å; E542-N578 PolarHBondContact OE1-ND2 2.96Å
543	E	93.7	Very high	93.2	Very high	110 Å²	110	52.1 Å²	52.1	51%	0.514	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-46.6	174.1	-178.2	176	-173.3	0	0	112.2	A539 E540 G546 K547	A539-E543 WeakPolarHBondContact O-CB 3.4Å; A539-E543 PolarHBondContact O-N 2.81Å; E540-E543 PolarHBondContact O-N 2.79Å; E543-G546 PolarHBondContact O-N 3.38Å; E543-K547 HydrophobicContact CG-CD 4.14Å; E543-K547 WeakPolarHBondContact O-CB 3.17Å; E543-K547 WeakPolarHBondContact O-CG 3.17Å; E543-K547 PolarHBondContact O-N 2.95Å; E543-K547 WeakPolarHBondContact OE1-CE 3.14Å; E543-K547 IonicContact OE1-NZ 2.72Å; E543-K547 PolarHBondContact OE1-NZ 2.98Å
544	M	93.7	Very high	93.4	Very high	17 Å²	17	52.2 Å²	52.2	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-50.7	-179	179.9	-179.6	71.2	0	0	111.8	W533 I536 E540 K547 H548 I555 F624	W533-M544 HydrophobicContact CD2-CE 4.06Å; W533-M544 HydrophobicContact CE3-CE 3.82Å; W533-M544 HydrophobicContact CE3-SD 4.16Å; W533-M544 HydrophobicContact CH2-CE 3.81Å; W533-M544 HydrophobicContact CH2-SD 3.45Å; W533-M544 WeakPolarHBondContact CH2-SD 3.48Å; W533-M544 HydrophobicContact CZ2-CE 4.01Å; W533-M544 HydrophobicContact CZ2-SD 4.16Å; W533-M544 HydrophobicContact CZ3-CE 3.7Å; W533-M544 HydrophobicContact CZ3-SD 3.43Å; W533-M544 WeakPolarHBondContact CZ3-SD 3.48Å; I536-M544 HydrophobicContact CD1-CE 3.6Å; I536-M544 HydrophobicContact CD1-SD 4.03Å; E540-M544 WeakPolarHBondContact O-CB 3.32Å; E540-M544 PolarHBondContact O-N 2.98Å; M544-K547 PolarHBondContact O-N 2.72Å; M544-H548 WeakPolarHBondContact O-CB 3.26Å; M544-H548 PolarHBondContact O-N 2.71Å; M544-I555 HydrophobicContact CE-CD1 3.92Å; M544-F624 HydrophobicContact CE-CD1 3.87Å; M544-F624 HydrophobicContact CE-CE1 3.65Å; M544-F624 HydrophobicContact CG-CE1 3.67Å; M544-F624 HydrophobicContact CG-CZ 3.99Å; M544-F624 HydrophobicContact SD-CD1 4.48Å; M544-F624 HydrophobicContact SD-CE1 3.68Å
545	L	95.1	Very high	93.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-41.1	177.4	-70.6	176.7	0	0	0	111.3	C541 K547 H548 S549 I555 T569 N571 T576 F624	C541-L545 WeakPolarHBondContact O-CB 3.43Å; C541-L545 WeakPolarHBondContact O-CG 3.5Å; C541-L545 PolarHBondContact O-N 2.68Å; L545-K547 VanDerWaalsContact C-N 3.25Å; L545-K547 PolarHBondContact O-N 2.75Å; L545-H548 PolarHBondContact O-N 3.35Å; L545-S549 WeakPolarHBondContact O-CB 3.28Å; L545-S549 PolarHBondContact O-N 2.94Å; L545-S549 PolarHBondContact O-OG 3.36Å; L545-I555 HydrophobicContact CD2-CG2 4.33Å; L545-T569 HydrophobicContact CD1-CG2 3.96Å; L545-N571 PolarHBondContact O-ND2 3.1Å; L545-T576 HydrophobicContact CB-CG2 3.76Å; L545-T576 HydrophobicContact CD1-CG2 4.32Å; L545-F624 HydrophobicContact CD2-CB 3.67Å; L545-F624 HydrophobicContact CD2-CD1 3.8Å; L545-F624 HydrophobicContact CD2-CD2 4.03Å; L545-F624 HydrophobicContact CD2-CE1 4.47Å; L545-F624 HydrophobicContact CD2-CG 3.52Å
546	G	92.5	Very high	93.9	Very high	60 Å²	60	48.3 Å²	48.3	62%	0.619	26%	0.263	S	S	*	.	H	α-helix	trans	-63.9	-25.2	178.1	0	0	0	0	0	114.7	E542 E543	E542-G546 PolarHBondContact O-N 2.86Å; E543-G546 PolarHBondContact O-N 3.38Å
547	K	91.2	Very high	94	Very high	133 Å²	133	48.2 Å²	48.2	58%	0.578	26%	0.262	S	S	*	.	H	α-helix	trans	-91.9	-33.6	177.6	-74.1	176.4	-177.4	175.9	0	114.5	E543 M544 L545	E543-K547 HydrophobicContact CG-CD 4.14Å; E543-K547 WeakPolarHBondContact O-CB 3.17Å; E543-K547 WeakPolarHBondContact O-CG 3.17Å; E543-K547 PolarHBondContact O-N 2.95Å; E543-K547 WeakPolarHBondContact OE1-CE 3.14Å; E543-K547 IonicContact OE1-NZ 2.72Å; E543-K547 PolarHBondContact OE1-NZ 2.98Å; M544-K547 PolarHBondContact O-N 2.72Å; L545-K547 VanDerWaalsContact C-N 3.25Å; L545-K547 PolarHBondContact O-N 2.75Å
548	H	90.2	Very high	94	Very high	89 Å²	89	47.5 Å²	47.5	41%	0.412	26%	0.256	S	S	.	.	H	α-helix	trans	-127.7	-16.9	-161.2	-62.4	-46.7	0	0	0	115.2	M544 L545 F624 H626 P627	M544-H548 WeakPolarHBondContact O-CB 3.26Å; M544-H548 PolarHBondContact O-N 2.71Å; L545-H548 PolarHBondContact O-N 3.35Å; H548-F624 HydrophobicContact CB-CE2 3.79Å; H548-F624 HydrophobicContact CB-CZ 3.74Å; H548-H626 AromaticContact CD2-NE2 3.69Å; H548-P627 HydrophobicContact CB-CG 4.16Å
549	S	90.9	Very high	94	Very high	14 Å²	14	41.8 Å²	41.8	10%	0.098	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-96.9	155.4	-174.7	104	0	0	0	0	112.8	L545 E553 N571	L545-S549 WeakPolarHBondContact O-CB 3.28Å; L545-S549 PolarHBondContact O-N 2.94Å; L545-S549 PolarHBondContact O-OG 3.36Å; S549-E553 WeakPolarHBondContact CA-OE2 3.36Å; S549-E553 WeakPolarHBondContact CB-OE2 3.48Å; S549-N571 PolarHBondContact O-ND2 2.94Å; S549-N571 WeakPolarHBondContact OG-CB 3.33Å; S549-N571 PolarHBondContact OG-ND2 2.93Å
550	L	91.3	Very high	93.9	Very high	108 Å²	108	43.7 Å²	43.7	57%	0.565	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-84.2	159.4	169.7	-60.1	176.4	0	0	0	111.4	G552 E553	L550-G552 PolarHBondContact O-N 3.1Å; L550-E553 HydrophobicContact CB-CG 4Å; L550-E553 PolarHBondContact N-OE2 2.89Å; L550-E553 WeakPolarHBondContact O-CB 3.49Å; L550-E553 PolarHBondContact O-N 2.78Å; L550-E553 VanDerWaalsContact O-N 3.15Å
551	P	91.6	Very high	93.9	Very high	86 Å²	86	43.6 Å²	43.6	56%	0.558	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	133.1	171.8	-19.6	31.2	0	0	0	111.3
552	G	91.6	Very high	93.7	Very high	6 Å²	6	47.7 Å²	47.7	6%	0.062	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	94	-20.5	-174.9	0	0	0	0	0	114.5	L550 N571 Y619 T621	L550-G552 PolarHBondContact O-N 3.1Å; G552-N571 PolarHBondContact N-O 3.06Å; G552-Y619 WeakPolarHBondContact CA-O 3.31Å; G552-T621 WeakPolarHBondContact CA-OG1 3.44Å; G552-T621 PolarHBondContact O-N 3.28Å; G552-T621 PolarHBondContact O-OG1 3.05Å; G552-T621 VanDerWaalsContact O-OG1 3.13Å
553	E	95.1	Very high	93.4	Very high	17 Å²	17	51.3 Å²	51.3	8%	0.079	29%	0.289	C	S	.	.			trans	-69.9	143.8	178.4	-64.2	-172.9	158.1	0	0	111.7	S549 L550 I570 N571 T621 Q622 F624	S549-E553 WeakPolarHBondContact CA-OE2 3.36Å; S549-E553 WeakPolarHBondContact CB-OE2 3.48Å; L550-E553 HydrophobicContact CB-CG 4Å; L550-E553 PolarHBondContact N-OE2 2.89Å; L550-E553 WeakPolarHBondContact O-CB 3.49Å; L550-E553 PolarHBondContact O-N 2.78Å; L550-E553 VanDerWaalsContact O-N 3.15Å; E553-I570 WeakPolarHBondContact O-CA 3.44Å; E553-I570 WeakPolarHBondContact O-CG1 3.22Å; E553-N571 PolarHBondContact O-N 2.78Å; E553-T621 PolarHBondContact N-OG1 3.23Å; E553-Q622 WeakPolarHBondContact CA-O 3.38Å; E553-Q622 HydrophobicContact CG-CG 3.81Å; E553-Q622 PolarHBondContact OE1-NE2 2.76Å; E553-F624 HydrophobicContact CB-CB 4.25Å
554	F	97.9	Very high	93.1	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	159.2	-172.1	70.6	-82.6	0	0	0	113.8	W531 V556 I568 T569 I570 I602 L620 Q622 P623 F624	W531-F554 HydrophobicContact CB-CD2 4.31Å; W531-F554 HydrophobicContact CB-CE2 3.59Å; W531-F554 HydrophobicContact CB-CZ 4.12Å; W531-F554 HydrophobicContact CG-CE2 4.13Å; F554-V556 HydrophobicContact CD2-CG2 4.49Å; F554-V556 HydrophobicContact CE2-CG2 4.47Å; F554-I568 HydrophobicContact CB-CG2 4.4Å; F554-I568 HydrophobicContact CD2-CG2 4.28Å; F554-T569 CarbonylContact C-O 3.58Å; F554-T569 WeakPolarHBondContact CA-O 3.5Å; F554-T569 WeakPolarHBondContact CB-O 3.32Å; F554-I570 HydrophobicContact CB-CB 4.18Å; F554-I570 HydrophobicContact CB-CG1 4.16Å; F554-I602 HydrophobicContact CE1-CG2 4.5Å; F554-I602 HydrophobicContact CE2-CD1 4.24Å; F554-I602 HydrophobicContact CE2-CG1 4.31Å; F554-I602 HydrophobicContact CE2-CG2 3.98Å; F554-I602 HydrophobicContact CZ-CG2 3.53Å; F554-L620 HydrophobicContact CB-CD2 3.77Å; F554-L620 HydrophobicContact CD1-CB 3.64Å; F554-L620 HydrophobicContact CD1-CD2 4.01Å; F554-L620 HydrophobicContact CD1-CG 4.31Å; F554-L620 HydrophobicContact CD2-CD1 4.47Å; F554-L620 HydrophobicContact CD2-CD2 4.27Å; F554-L620 HydrophobicContact CE1-CB 3.68Å; F554-L620 HydrophobicContact CE2-CD1 4.49Å; F554-L620 HydrophobicContact CG-CB 4.22Å; F554-L620 HydrophobicContact CG-CD2 3.75Å; F554-L620 HydrophobicContact CG-CG 4.4Å; F554-L620 HydrophobicContact CZ-CB 4.27Å; F554-Q622 WeakPolarHBondContact CD1-O 3.39Å; F554-Q622 WeakPolarHBondContact CE1-O 3.4Å; F554-Q622 PolarHBondContact N-O 2.88Å; F554-Q622 VanDerWaalsContact N-O 3.17Å; F554-P623 HydrophobicContact CZ-CG 4.44Å; F554-F624 PolarHBondContact O-N 3.43Å
555	I	97.1	Very high	93.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157.5	164.3	73.2	175	0	0	0	110.7	W531 W533 I536 C541 M544 L545 I568 T569 F624	W531-I555 CarbonylContact O-C 3.59Å; W531-I555 WeakPolarHBondContact O-CA 3.33Å; W533-I555 HydrophobicContact CB-CB 4.41Å; W533-I555 HydrophobicContact CB-CD1 3.97Å; W533-I555 HydrophobicContact CD2-CD1 4.29Å; W533-I555 HydrophobicContact CD2-CG2 4.36Å; W533-I555 HydrophobicContact CG-CB 3.99Å; W533-I555 HydrophobicContact CG-CD1 3.89Å; W533-I555 HydrophobicContact CG-CG2 3.99Å; I536-I555 HydrophobicContact CD1-CD1 4.5Å; I536-I555 HydrophobicContact CG2-CD1 3.82Å; C541-I555 HydrophobicContact CB-CD1 4.08Å; C541-I555 WeakPolarHBondContact SG-CD1 3.25Å; M544-I555 HydrophobicContact CE-CD1 3.92Å; L545-I555 HydrophobicContact CD2-CG2 4.33Å; I555-I568 CarbonylContact O-C 3.43Å; I555-I568 WeakPolarHBondContact O-CA 3.41Å; I555-T569 PolarHBondContact N-O 3.2Å; I555-T569 PolarHBondContact O-N 3.39Å; I555-F624 HydrophobicContact CG2-CB 3.77Å; I555-F624 HydrophobicContact CG2-CD1 4.01Å; I555-F624 HydrophobicContact CG2-CG 4.37Å
556	V	96.7	Very high	93.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.5	167.8	-170.7	0	0	0	0	108.1	W531 F532 W533 F554 L566 T567 I568 I598 I602	W531-V556 HydrophobicContact CB-CG2 4.48Å; W531-V556 HydrophobicContact CD2-CG2 4.11Å; W531-V556 HydrophobicContact CE3-CB 3.67Å; W531-V556 HydrophobicContact CE3-CG1 4.48Å; W531-V556 HydrophobicContact CE3-CG2 3.36Å; W531-V556 HydrophobicContact CZ3-CB 4.01Å; W531-V556 HydrophobicContact CZ3-CG1 4.34Å; W531-V556 HydrophobicContact CZ3-CG2 3.93Å; W531-V556 PolarHBondContact O-N 2.85Å; F532-V556 HydrophobicContact CD2-CB 4.23Å; F532-V556 HydrophobicContact CD2-CG1 4.26Å; W533-V556 PolarHBondContact N-O 3.02Å; F554-V556 HydrophobicContact CD2-CG2 4.49Å; F554-V556 HydrophobicContact CE2-CG2 4.47Å; V556-L566 HydrophobicContact CG1-CB 4.17Å; V556-L566 HydrophobicContact CG1-CD1 4.23Å; V556-T567 WeakPolarHBondContact CA-O 3.36Å; V556-I568 HydrophobicContact CG2-CG1 4.18Å; V556-I598 HydrophobicContact CG1-CD1 3.95Å; V556-I602 HydrophobicContact CG2-CD1 4.18Å
557	R	95.7	Very high	93.4	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	163	-178.6	64.3	-169	-172.2	83.1	2.7	110.5	G534 I536 E560 T567 T569 N578	G534-R557 CarbonylContact O-C 3.58Å; G534-R557 WeakPolarHBondContact O-CA 3.2Å; G534-R557 WeakPolarHBondContact O-CB 3.34Å; I536-R557 HydrophobicContact CG2-CB 3.59Å; I536-R557 HydrophobicContact CG2-CG 4.39Å; I536-R557 PolarHBondContact O-NH1 2.63Å; R557-E560 IonicContact CZ-OE2 3.1Å; R557-E560 IonicContact NH1-OE2 3.21Å; R557-E560 PolarHBondContact NH1-OE2 2.75Å; R557-E560 IonicContact NH2-OE2 2.76Å; R557-E560 PolarHBondContact NH2-OE2 3.26Å; R557-T567 PolarHBondContact N-O 2.88Å; R557-T567 PolarHBondContact O-N 2.65Å; R557-T569 PolarHBondContact NE-OG1 2.81Å; R557-N578 PolarHBondContact NH2-OD1 2.85Å
558	D	94.1	Very high	93.7	Very high	17 Å²	17	38.9 Å²	38.9	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	143.9	172.5	-72.1	-26.6	0	0	0	110.5	S520 T522 G534 I535 E560 L566	S520-D558 WeakPolarHBondContact CA-OD2 3.34Å; S520-D558 VanDerWaalsContact CB-OD2 3.22Å; S520-D558 WeakPolarHBondContact CB-OD2 3.12Å; S520-D558 PolarHBondContact OG-OD1 3.01Å; S520-D558 PolarHBondContact OG-OD2 2.8Å; T522-D558 VanDerWaalsContact CB-OD1 3.31Å; T522-D558 WeakPolarHBondContact CB-OD1 3.32Å; T522-D558 PolarHBondContact OG1-OD1 2.7Å; T522-D558 PolarHBondContact OG1-OD2 3.16Å; G534-D558 PolarHBondContact O-N 3.05Å; I535-D558 WeakPolarHBondContact CG1-OD2 3.46Å; D558-E560 PolarHBondContact O-N 2.79Å; D558-L566 WeakPolarHBondContact OD1-CD2 3.19Å
559	S	95	Very high	94.1	Very high	7 Å²	7	34.6 Å²	34.6	5%	0.049	21%	0.207	C	C	.	.			trans	-84	105.4	179.5	-158.8	0	0	0	0	111.6	S561 H562 D565 T567	S559-S561 PolarHBondContact O-N 3.05Å; S559-S561 VanDerWaalsContact O-N 3.12Å; S559-S561 PolarHBondContact OG-OG 3.27Å; S559-S561 VanDerWaalsContact OG-OG 3.07Å; S559-H562 CarbonylContact O-C 3.58Å; S559-H562 VanDerWaalsContact O-C 3.28Å; S559-H562 PolarHBondContact O-N 3.12Å; S559-D565 WeakPolarHBondContact CB-O 3.47Å; S559-D565 PolarHBondContact N-O 2.93Å; S559-T567 WeakPolarHBondContact CA-OG1 3.37Å; S559-T567 VanDerWaalsContact CB-OG1 3.27Å; S559-T567 WeakPolarHBondContact CB-OG1 3.46Å; S559-T567 PolarHBondContact OG-OG1 2.92Å
560	E	93.1	Very high	94.4	Very high	108 Å²	108	34 Å²	34	51%	0.505	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-32.3	172.8	-62.1	148.5	117.9	0	0	112.6	S537 R538 R557 D558	S537-E560 VanDerWaalsContact CA-OE1 3.23Å; S537-E560 WeakPolarHBondContact CA-OE1 3.38Å; S537-E560 WeakPolarHBondContact CB-OE1 3.49Å; R538-E560 WeakPolarHBondContact CB-OE2 3.2Å; R538-E560 PolarHBondContact N-OE1 2.72Å; R538-E560 PolarHBondContact N-OE2 3.34Å; R538-E560 VanDerWaalsContact N-OE2 3.12Å; R557-E560 IonicContact CZ-OE2 3.1Å; R557-E560 IonicContact NH1-OE2 3.21Å; R557-E560 PolarHBondContact NH1-OE2 2.75Å; R557-E560 IonicContact NH2-OE2 2.76Å; R557-E560 PolarHBondContact NH2-OE2 3.26Å; D558-E560 PolarHBondContact O-N 2.79Å
561	S	93.8	Very high	94.6	Very high	83 Å²	83	29.4 Å²	29.4	58%	0.58	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.6	-178	66.5	0	0	0	0	114.3	S559	S559-S561 PolarHBondContact O-N 3.05Å; S559-S561 VanDerWaalsContact O-N 3.12Å; S559-S561 PolarHBondContact OG-OG 3.27Å; S559-S561 VanDerWaalsContact OG-OG 3.07Å
562	H	92.3	Very high	94.7	Very high	86 Å²	86	25.7 Å²	25.7	40%	0.398	16%	0.155	S	C	.	.	S	Bend	trans	-152	85.9	-171.6	-67.1	90.3	0	0	0	109.7	S559 G564 D565 K580	S559-H562 CarbonylContact O-C 3.58Å; S559-H562 VanDerWaalsContact O-C 3.28Å; S559-H562 PolarHBondContact O-N 3.12Å; H562-G564 PolarHBondContact O-N 2.83Å; H562-D565 HydrophobicContact CB-CB 3.92Å; H562-D565 WeakPolarHBondContact CB-OD2 3.47Å; H562-D565 IonicContact CG-OD2 3.43Å; H562-D565 WeakPolarHBondContact O-CB 3.28Å; H562-D565 PolarHBondContact O-N 2.8Å; H562-K580 PolarHBondContact CD2-NZ 3.38Å; H562-K580 PolarHBondContact CE1-NZ 3.42Å; H562-K580 VanDerWaalsContact CG-CE 3.43Å; H562-K580 WeakPolarHBondContact ND1-CE 3.36Å; H562-K580 PolarHBondContact ND1-NZ 2.96Å; H562-K580 PolarHBondContact NE2-NZ 3.46Å; H562-K580 VanDerWaalsContact NE2-NZ 3.17Å
563	P	89.2	Confident	94.6	Very high	129 Å²	129	27.6 Å²	27.6	84%	0.838	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	130.2	176.9	-26.1	35.3	0	0	0	111.5
564	G	88	Confident	94.2	Very high	36 Å²	36	32 Å²	32	37%	0.371	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.5	-27.4	-169.9	0	0	0	0	0	113.9	T522 H562	T522-G564 VanDerWaalsContact CG2-CA 3.43Å; T522-G564 VanDerWaalsContact CG2-O 3.31Å; T522-G564 WeakPolarHBondContact CG2-O 3.21Å; H562-G564 PolarHBondContact O-N 2.83Å
565	D	94.5	Very high	94	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.053	22%	0.219	C	C	.	.			trans	-94.3	160.5	177.2	-67.3	-25.4	0	0	0	112	S559 H562 K580 V581 H582 V583	S559-D565 WeakPolarHBondContact CB-O 3.47Å; S559-D565 PolarHBondContact N-O 2.93Å; H562-D565 HydrophobicContact CB-CB 3.92Å; H562-D565 WeakPolarHBondContact CB-OD2 3.47Å; H562-D565 IonicContact CG-OD2 3.43Å; H562-D565 WeakPolarHBondContact O-CB 3.28Å; H562-D565 PolarHBondContact O-N 2.8Å; D565-K580 WeakPolarHBondContact OD2-CE 3.39Å; D565-K580 IonicContact OD2-NZ 3.69Å; D565-K580 PolarHBondContact OD2-NZ 2.79Å; D565-V581 WeakPolarHBondContact CB-O 3.39Å; D565-H582 VanDerWaalsContact CG-ND1 3.33Å; D565-H582 VanDerWaalsContact OD1-CA 3.27Å; D565-H582 WeakPolarHBondContact OD1-CA 3.41Å; D565-H582 IonicContact OD1-CE1 2.66Å; D565-H582 IonicContact OD1-CG 3.17Å; D565-H582 IonicContact OD1-ND1 2.71Å; D565-H582 PolarHBondContact OD1-ND1 3.06Å; D565-H582 IonicContact OD2-CG 3.87Å; D565-H582 IonicContact OD2-ND1 3.12Å; D565-H582 PolarHBondContact OD2-ND1 3.05Å; D565-H582 VanDerWaalsContact OD2-ND1 3.17Å; D565-V583 PolarHBondContact OD1-N 3.15Å
566	L	95.5	Very high	93.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	161.6	177	-62.2	175.7	0	0	0	110.9	F532 V556 D558 V581 V583 Y588 I598	F532-L566 HydrophobicContact CE2-CD2 4.2Å; V556-L566 HydrophobicContact CG1-CB 4.17Å; V556-L566 HydrophobicContact CG1-CD1 4.23Å; D558-L566 WeakPolarHBondContact OD1-CD2 3.19Å; L566-V581 HydrophobicContact CB-CB 4.26Å; L566-V581 PolarHBondContact N-O 3.42Å; L566-V581 PolarHBondContact O-N 3.27Å; L566-V583 HydrophobicContact CD1-CG2 4.29Å; L566-V583 HydrophobicContact CG-CG2 4.13Å; L566-Y588 HydrophobicContact CD1-CD1 4.47Å; L566-Y588 HydrophobicContact CD1-CE1 4.05Å; L566-I598 HydrophobicContact CD1-CD1 3.61Å
567	T	97.2	Very high	93.8	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.6	175.1	-54.1	0	0	0	0	109.8	V556 R557 S559 N578 F579	V556-T567 WeakPolarHBondContact CA-O 3.36Å; R557-T567 PolarHBondContact N-O 2.88Å; R557-T567 PolarHBondContact O-N 2.65Å; S559-T567 WeakPolarHBondContact CA-OG1 3.37Å; S559-T567 VanDerWaalsContact CB-OG1 3.27Å; S559-T567 WeakPolarHBondContact CB-OG1 3.46Å; S559-T567 PolarHBondContact OG-OG1 2.92Å; T567-N578 HydrophobicContact CG2-CB 3.96Å; T567-F579 WeakPolarHBondContact CA-O 3.41Å
568	I	97.6	Very high	93.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.6	170.8	-58.4	177.5	0	0	0	107.4	F554 I555 V556 N578 F579 V581 L601 I610 L620	F554-I568 HydrophobicContact CB-CG2 4.4Å; F554-I568 HydrophobicContact CD2-CG2 4.28Å; I555-I568 CarbonylContact O-C 3.43Å; I555-I568 WeakPolarHBondContact O-CA 3.41Å; V556-I568 HydrophobicContact CG2-CG1 4.18Å; I568-N578 CarbonylContact O-C 3.56Å; I568-N578 WeakPolarHBondContact O-CA 3.37Å; I568-F579 HydrophobicContact CB-CB 4.49Å; I568-F579 PolarHBondContact N-O 3.41Å; I568-F579 PolarHBondContact O-N 2.93Å; I568-V581 HydrophobicContact CD1-CG2 3.7Å; I568-V581 HydrophobicContact CG1-CG2 3.79Å; I568-L601 HydrophobicContact CD1-CD2 3.38Å; I568-I610 HydrophobicContact CG2-CD1 4.45Å; I568-L620 HydrophobicContact CD1-CD1 4.41Å; I568-L620 HydrophobicContact CG2-CD1 4.28Å; I568-L620 HydrophobicContact CG2-CD2 3.79Å
569	T	97.9	Very high	94.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.3	177.2	-42.4	0	0	0	0	109.1	C541 L545 F554 I555 R557 R577 N578	C541-T569 WeakPolarHBondContact SG-CB 3.35Å; C541-T569 VanDerWaalsContact SG-CG2 3.51Å; L545-T569 HydrophobicContact CD1-CG2 3.96Å; F554-T569 CarbonylContact C-O 3.58Å; F554-T569 WeakPolarHBondContact CA-O 3.5Å; F554-T569 WeakPolarHBondContact CB-O 3.32Å; I555-T569 PolarHBondContact N-O 3.2Å; I555-T569 PolarHBondContact O-N 3.39Å; R557-T569 PolarHBondContact NE-OG1 2.81Å; T569-R577 WeakPolarHBondContact CA-O 3.48Å; T569-N578 PolarHBondContact OG1-OD1 3.47Å
570	I	97.6	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.4	-176.5	-166.1	-170.9	0	0	0	110.2	E553 F554 T576 R577 F579 I610 H618 Y619 L620	E553-I570 WeakPolarHBondContact O-CA 3.44Å; E553-I570 WeakPolarHBondContact O-CG1 3.22Å; F554-I570 HydrophobicContact CB-CB 4.18Å; F554-I570 HydrophobicContact CB-CG1 4.16Å; I570-T576 CarbonylContact O-C 3.54Å; I570-T576 VanDerWaalsContact O-CA 3.3Å; I570-T576 WeakPolarHBondContact O-CA 3.24Å; I570-R577 HydrophobicContact CG2-CB 3.93Å; I570-R577 PolarHBondContact N-O 2.78Å; I570-R577 PolarHBondContact O-N 3.04Å; I570-F579 HydrophobicContact CG2-CD2 4.4Å; I570-F579 HydrophobicContact CG2-CE2 3.7Å; I570-I610 HydrophobicContact CD1-CG2 4.48Å; I570-H618 HydrophobicContact CD1-CB 4.22Å; I570-Y619 WeakPolarHBondContact CD1-O 3.36Å; I570-L620 HydrophobicContact CB-CD2 4.36Å; I570-L620 HydrophobicContact CD1-CD2 4.02Å; I570-L620 HydrophobicContact CG1-CD2 4.28Å
571	N	96.2	Very high	94.3	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.064	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	115.3	163.4	-176.2	-10.2	0	0	0	110.2	L545 S549 G552 E553 G573	L545-N571 PolarHBondContact O-ND2 3.1Å; S549-N571 PolarHBondContact O-ND2 2.94Å; S549-N571 WeakPolarHBondContact OG-CB 3.33Å; S549-N571 PolarHBondContact OG-ND2 2.93Å; G552-N571 PolarHBondContact N-O 3.06Å; E553-N571 PolarHBondContact O-N 2.78Å; N571-G573 VanDerWaalsContact C-N 3.3Å; N571-G573 WeakPolarHBondContact OD1-CA 3.13Å; N571-G573 PolarHBondContact OD1-N 3.49Å
572	A	93.4	Very high	94.4	Very high	8 Å²	8	40.4 Å²	40.4	7%	0.066	23%	0.226	C	C	.	.			trans	-92.3	17.9	178.5	0	0	0	0	0	113	N574 K575 R577 H618	A572-N574 VanDerWaalsContact C-N 3.3Å; A572-N574 PolarHBondContact O-N 2.92Å; A572-N574 VanDerWaalsContact O-N 3.11Å; A572-K575 WeakPolarHBondContact CA-O 3.25Å; A572-K575 VanDerWaalsContact CB-O 3.26Å; A572-K575 WeakPolarHBondContact CB-O 3.28Å; A572-K575 PolarHBondContact N-O 2.93Å; A572-R577 HydrophobicContact CB-CG 3.84Å; A572-H618 PolarHBondContact O-CE1 3.46Å
573	G	89.6	Confident	94.4	Very high	47 Å²	47	38.3 Å²	38.3	49%	0.485	22%	0.22	S	C	.	.	S	Bend	trans	84.7	-51.8	178.4	0	0	0	0	0	114.2	N571	N571-G573 VanDerWaalsContact C-N 3.3Å; N571-G573 WeakPolarHBondContact OD1-CA 3.13Å; N571-G573 PolarHBondContact OD1-N 3.49Å
574	N	86.9	Confident	94.4	Very high	108 Å²	108	36 Å²	36	58%	0.578	20%	0.198	S	C	*	.	S	Bend	trans	-97.9	-11.1	178.3	61.1	21.8	0	0	0	114.1	A572 E616	A572-N574 VanDerWaalsContact C-N 3.3Å; A572-N574 PolarHBondContact O-N 2.92Å; A572-N574 VanDerWaalsContact O-N 3.11Å; N574-E616 PolarHBondContact ND2-OE1 3.5Å
575	K	92.7	Very high	94.3	Very high	102 Å²	102	43.2 Å²	43.2	44%	0.443	22%	0.219	S	C	.	.	S	Bend	trans	-168.3	166.4	-179.8	65.9	-152.9	165.6	-162.6	0	109.6	A572 R577	A572-K575 WeakPolarHBondContact CA-O 3.25Å; A572-K575 VanDerWaalsContact CB-O 3.26Å; A572-K575 WeakPolarHBondContact CB-O 3.28Å; A572-K575 PolarHBondContact N-O 2.93Å; K575-R577 HydrophobicContact CG-CG 4.44Å
576	T	94.9	Very high	93.6	Very high	27 Å²	27	44.8 Å²	44.8	17%	0.166	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	151.9	166	45.4	0	0	0	0	111.2	E542 L545 I570	E542-T576 VanDerWaalsContact CG-OG1 3.26Å; E542-T576 WeakPolarHBondContact CG-OG1 3.5Å; L545-T576 HydrophobicContact CB-CG2 3.76Å; L545-T576 HydrophobicContact CD1-CG2 4.32Å; I570-T576 CarbonylContact O-C 3.54Å; I570-T576 VanDerWaalsContact O-CA 3.3Å; I570-T576 WeakPolarHBondContact O-CA 3.24Å
577	R	95.4	Very high	93.3	Very high	42 Å²	42	48.4 Å²	48.4	16%	0.158	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.2	175.8	-67.4	179.2	178.8	-100.4	12.3	109.3	T569 I570 A572 K575 F579 F611 E616	T569-R577 WeakPolarHBondContact CA-O 3.48Å; I570-R577 HydrophobicContact CG2-CB 3.93Å; I570-R577 PolarHBondContact N-O 2.78Å; I570-R577 PolarHBondContact O-N 3.04Å; A572-R577 HydrophobicContact CB-CG 3.84Å; K575-R577 HydrophobicContact CG-CG 4.44Å; R577-F579 HydrophobicContact CB-CE2 3.77Å; R577-F579 HydrophobicContact CB-CZ 4.09Å; R577-F611 VanDerWaalsContact NH1-CE2 3.33Å; R577-E616 IonicContact CZ-OE2 2.95Å; R577-E616 IonicContact NE-OE2 2.73Å; R577-E616 IonicContact NH2-OE2 3.74Å; R577-E616 PolarHBondContact NH2-OE2 3.47Å
578	N	96.9	Very high	93.2	Very high	41 Å²	41	49.2 Å²	49.2	22%	0.219	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.6	-179.5	-65.6	-113.5	0	0	0	109.3	E542 R557 T567 I568 T569	E542-N578 PolarHBondContact OE1-ND2 2.96Å; R557-N578 PolarHBondContact NH2-OD1 2.85Å; T567-N578 HydrophobicContact CG2-CB 3.96Å; I568-N578 CarbonylContact O-C 3.56Å; I568-N578 WeakPolarHBondContact O-CA 3.37Å; T569-N578 PolarHBondContact OG1-OD1 3.47Å
579	F	97.5	Very high	93.2	Very high	35 Å²	35	51.4 Å²	51.4	15%	0.154	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.3	176.4	-59	-90.7	0	0	0	109.4	T567 I568 I570 R577 I590 I610 F611	T567-F579 WeakPolarHBondContact CA-O 3.41Å; I568-F579 HydrophobicContact CB-CB 4.49Å; I568-F579 PolarHBondContact N-O 3.41Å; I568-F579 PolarHBondContact O-N 2.93Å; I570-F579 HydrophobicContact CG2-CD2 4.4Å; I570-F579 HydrophobicContact CG2-CE2 3.7Å; R577-F579 HydrophobicContact CB-CE2 3.77Å; R577-F579 HydrophobicContact CB-CZ 4.09Å; F579-I590 HydrophobicContact CB-CD1 3.99Å; F579-I610 HydrophobicContact CB-CD1 4.08Å; F579-I610 HydrophobicContact CD1-CD1 4.23Å; F579-I610 HydrophobicContact CD1-CG1 3.93Å; F579-I610 HydrophobicContact CD2-CD1 3.75Å; F579-I610 HydrophobicContact CD2-CG1 4.16Å; F579-I610 HydrophobicContact CD2-CG2 4.47Å; F579-I610 HydrophobicContact CE1-CG1 4.09Å; F579-I610 HydrophobicContact CE2-CD1 4.26Å; F579-I610 HydrophobicContact CE2-CG1 4.32Å; F579-I610 HydrophobicContact CE2-CG2 3.93Å; F579-I610 HydrophobicContact CG-CD1 3.74Å; F579-I610 HydrophobicContact CG-CG1 3.97Å; F579-I610 HydrophobicContact CZ-CG1 4.3Å; F579-I610 HydrophobicContact CZ-CG2 3.96Å; F579-F611 HydrophobicContact CE1-CB 4.08Å; F579-F611 HydrophobicContact CZ-CB 3.78Å
580	K	96.3	Very high	93.1	Very high	80 Å²	80	52 Å²	52	35%	0.348	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	132	177.7	-169.8	-171.8	177.3	-163.3	0	110.1	H562 D565	H562-K580 PolarHBondContact CD2-NZ 3.38Å; H562-K580 PolarHBondContact CE1-NZ 3.42Å; H562-K580 VanDerWaalsContact CG-CE 3.43Å; H562-K580 WeakPolarHBondContact ND1-CE 3.36Å; H562-K580 PolarHBondContact ND1-NZ 2.96Å; H562-K580 PolarHBondContact NE2-NZ 3.46Å; H562-K580 VanDerWaalsContact NE2-NZ 3.17Å; D565-K580 WeakPolarHBondContact OD2-CE 3.39Å; D565-K580 IonicContact OD2-NZ 3.69Å; D565-K580 PolarHBondContact OD2-NZ 2.79Å
581	V	96.3	Very high	92.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.4	170.4	-179.2	0	0	0	0	108	D565 L566 I568 Y588 H589 I590 L601	D565-V581 WeakPolarHBondContact CB-O 3.39Å; L566-V581 HydrophobicContact CB-CB 4.26Å; L566-V581 PolarHBondContact N-O 3.42Å; L566-V581 PolarHBondContact O-N 3.27Å; I568-V581 HydrophobicContact CD1-CG2 3.7Å; I568-V581 HydrophobicContact CG1-CG2 3.79Å; V581-Y588 HydrophobicContact CG1-CD1 4.08Å; V581-H589 CarbonylContact C-O 3.57Å; V581-H589 WeakPolarHBondContact CA-O 3.46Å; V581-I590 HydrophobicContact CG2-CB 4.41Å; V581-I590 HydrophobicContact CG2-CD1 4.34Å; V581-L601 HydrophobicContact CG1-CD1 3.77Å; V581-L601 HydrophobicContact CG2-CD1 4.18Å
582	H	96.1	Very high	92.7	Very high	74 Å²	74	64.8 Å²	64.8	34%	0.343	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.6	176.9	176.8	52.6	0	0	0	110.2	D565 H589	D565-H582 VanDerWaalsContact CG-ND1 3.33Å; D565-H582 VanDerWaalsContact OD1-CA 3.27Å; D565-H582 WeakPolarHBondContact OD1-CA 3.41Å; D565-H582 IonicContact OD1-CE1 2.66Å; D565-H582 IonicContact OD1-CG 3.17Å; D565-H582 IonicContact OD1-ND1 2.71Å; D565-H582 PolarHBondContact OD1-ND1 3.06Å; D565-H582 IonicContact OD2-CG 3.87Å; D565-H582 IonicContact OD2-ND1 3.12Å; D565-H582 PolarHBondContact OD2-ND1 3.05Å; D565-H582 VanDerWaalsContact OD2-ND1 3.17Å; H582-H589 HydrophobicContact CB-CB 4.19Å; H582-H589 PolarHBondContact N-O 2.85Å; H582-H589 PolarHBondContact O-N 3.3Å
583	V	91.7	Very high	92.8	Very high	42 Å²	42	68.8 Å²	68.8	26%	0.255	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	108.3	-177.1	-174	0	0	0	0	109.7	D565 L566 Q587 Y588	D565-V583 PolarHBondContact OD1-N 3.15Å; L566-V583 HydrophobicContact CD1-CG2 4.29Å; L566-V583 HydrophobicContact CG-CG2 4.13Å; V583-Q587 WeakPolarHBondContact CA-O 3.4Å; V583-Y588 HydrophobicContact CG1-CE1 4.29Å; V583-Y588 HydrophobicContact CG2-CD1 3.89Å; V583-Y588 HydrophobicContact CG2-CE1 4.01Å
584	E	89.5	Confident	93.1	Very high	81 Å²	81	69.9 Å²	69.9	38%	0.379	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.3	179.5	-153.9	-161.5	149.9	0	0	110.7	G586 Q587	E584-G586 PolarHBondContact O-N 3.47Å; E584-Q587 PolarHBondContact N-O 3.4Å; E584-Q587 WeakPolarHBondContact O-CB 3.45Å; E584-Q587 PolarHBondContact O-N 3.18Å
585	K	85.5	Confident	93.4	Very high	187 Å²	187	65.9 Å²	65.9	81%	0.813	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	27.6	174.9	-60.5	170.1	-172.9	121.1	0	115
586	G	80.5	Confident	93.2	Very high	43 Å²	43	66.8 Å²	66.8	44%	0.443	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	-1.8	-177.2	0	0	0	0	0	114.8	E584 Y588	E584-G586 PolarHBondContact O-N 3.47Å; G586-Y588 VanDerWaalsContact O-CE2 3.31Å; G586-Y588 WeakPolarHBondContact O-CE2 3.41Å
587	Q	90.4	Very high	92.8	Very high	80 Å²	80	67.5 Å²	67.5	37%	0.374	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	149.8	172.1	-55.1	-168.3	-73	0	0	110.8	V583 E584 V594 F595 N596	V583-Q587 WeakPolarHBondContact CA-O 3.4Å; E584-Q587 PolarHBondContact N-O 3.4Å; E584-Q587 WeakPolarHBondContact O-CB 3.45Å; E584-Q587 PolarHBondContact O-N 3.18Å; Q587-V594 HydrophobicContact CB-CG1 4Å; Q587-F595 WeakPolarHBondContact CA-O 3.22Å; Q587-N596 PolarHBondContact NE2-OD1 2.94Å
588	Y	94.6	Very high	92.6	Very high	25 Å²	25	65.5 Å²	65.5	10%	0.098	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.8	-175.5	-61.1	-96.2	0	0	0	109.6	H526 L566 V581 V583 G586 V594 F595 I598	H526-Y588 PolarHBondContact NE2-OH 3Å; L566-Y588 HydrophobicContact CD1-CD1 4.47Å; L566-Y588 HydrophobicContact CD1-CE1 4.05Å; V581-Y588 HydrophobicContact CG1-CD1 4.08Å; V583-Y588 HydrophobicContact CG1-CE1 4.29Å; V583-Y588 HydrophobicContact CG2-CD1 3.89Å; V583-Y588 HydrophobicContact CG2-CE1 4.01Å; G586-Y588 VanDerWaalsContact O-CE2 3.31Å; G586-Y588 WeakPolarHBondContact O-CE2 3.41Å; Y588-V594 WeakPolarHBondContact O-CA 3.46Å; Y588-F595 PolarHBondContact N-O 2.88Å; Y588-F595 PolarHBondContact O-N 3.36Å; Y588-I598 HydrophobicContact CD1-CB 3.92Å; Y588-I598 HydrophobicContact CD1-CD1 4.3Å; Y588-I598 HydrophobicContact CD1-CG1 4.29Å; Y588-I598 HydrophobicContact CD2-CB 4.38Å; Y588-I598 HydrophobicContact CE1-CB 3.78Å; Y588-I598 HydrophobicContact CE1-CD1 4.19Å; Y588-I598 HydrophobicContact CE1-CG1 4.39Å; Y588-I598 HydrophobicContact CE2-CB 4.27Å; Y588-I598 HydrophobicContact CG-CB 4.22Å
589	H	97.2	Very high	92.2	Very high	46 Å²	46	65.9 Å²	65.9	21%	0.213	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.7	-172.3	-61.1	-112.6	0	0	0	110.7	V581 H582 K593 V594	V581-H589 CarbonylContact C-O 3.57Å; V581-H589 WeakPolarHBondContact CA-O 3.46Å; H582-H589 HydrophobicContact CB-CB 4.19Å; H582-H589 PolarHBondContact N-O 2.85Å; H582-H589 PolarHBondContact O-N 3.3Å; H589-K593 WeakPolarHBondContact CA-O 3.22Å; H589-V594 WeakPolarHBondContact ND1-CG2 3.36Å
590	I	96.1	Very high	91.9	Very high	11 Å²	11	67.4 Å²	67.4	6%	0.056	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	114.1	176.2	178.1	170.9	0	0	0	109.8	F579 V581 Q592 K593 F595 L601 Y605 I610	F579-I590 HydrophobicContact CB-CD1 3.99Å; V581-I590 HydrophobicContact CG2-CB 4.41Å; V581-I590 HydrophobicContact CG2-CD1 4.34Å; I590-Q592 PolarHBondContact O-N 2.91Å; I590-Q592 VanDerWaalsContact O-N 3.11Å; I590-K593 PolarHBondContact N-O 2.88Å; I590-K593 PolarHBondContact O-N 3.39Å; I590-F595 HydrophobicContact CG2-CD2 4.23Å; I590-F595 HydrophobicContact CG2-CE2 3.7Å; I590-L601 HydrophobicContact CB-CD1 4.43Å; I590-L601 HydrophobicContact CG2-CD1 3.71Å; I590-L601 HydrophobicContact CG2-CD2 4.49Å; I590-L601 HydrophobicContact CG2-CG 4.01Å; I590-Y605 HydrophobicContact CD1-CE2 4.11Å; I590-Y605 HydrophobicContact CG2-CE2 3.58Å; I590-I610 HydrophobicContact CD1-CD1 3.88Å; I590-I610 HydrophobicContact CD1-CG1 4.15Å
591	G	92.5	Very high	91.9	Very high	83 Å²	83	63.6 Å²	63.6	86%	0.856	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	-112.5	-167.8	0	0	0	0	0	111.1
592	Q	92.6	Very high	91.8	Very high	198 Å²	198	64.5 Å²	64.5	93%	0.925	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-4.6	177.8	-63.1	178	-1	0	0	113.5	I590	I590-Q592 PolarHBondContact O-N 2.91Å; I590-Q592 VanDerWaalsContact O-N 3.11Å
593	K	95.4	Very high	91.5	Very high	93 Å²	93	68.1 Å²	68.1	40%	0.404	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	144.2	-178.7	-76.6	168.5	167.7	-79.8	0	110.6	H589 I590 F595 H604 Y605	H589-K593 WeakPolarHBondContact CA-O 3.22Å; I590-K593 PolarHBondContact N-O 2.88Å; I590-K593 PolarHBondContact O-N 3.39Å; K593-F595 HydrophobicContact CB-CD2 4.48Å; K593-F595 HydrophobicContact CB-CE2 3.6Å; K593-F595 HydrophobicContact CB-CZ 3.98Å; K593-F595 HydrophobicContact CD-CZ 4.26Å; K593-H604 VanDerWaalsContact CE-NE2 3.3Å; K593-H604 WeakPolarHBondContact CE-NE2 3.18Å; K593-H604 PolarHBondContact NZ-CE1 2.55Å; K593-H604 VanDerWaalsContact NZ-CE1 3.31Å; K593-H604 PolarHBondContact NZ-NE2 3.38Å; K593-Y605 WeakPolarHBondContact CD-OH 3.41Å
594	V	96.2	Very high	91.6	Very high	70 Å²	70	67.8 Å²	67.8	42%	0.424	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.3	179.6	-170.4	0	0	0	0	108.3	Q587 Y588 H589	Q587-V594 HydrophobicContact CB-CG1 4Å; Y588-V594 WeakPolarHBondContact O-CA 3.46Å; H589-V594 WeakPolarHBondContact ND1-CG2 3.36Å
595	F	93.8	Very high	92	Very high	23 Å²	23	65 Å²	65	10%	0.101	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.7	-178.9	-58.6	-90.8	0	0	0	109.9	Q587 Y588 I590 K593 C597 D600 L601 H604 Y605	Q587-F595 WeakPolarHBondContact CA-O 3.22Å; Y588-F595 PolarHBondContact N-O 2.88Å; Y588-F595 PolarHBondContact O-N 3.36Å; I590-F595 HydrophobicContact CG2-CD2 4.23Å; I590-F595 HydrophobicContact CG2-CE2 3.7Å; K593-F595 HydrophobicContact CB-CD2 4.48Å; K593-F595 HydrophobicContact CB-CE2 3.6Å; K593-F595 HydrophobicContact CB-CZ 3.98Å; K593-F595 HydrophobicContact CD-CZ 4.26Å; F595-C597 WeakPolarHBondContact CB-O 3.43Å; F595-D600 HydrophobicContact CB-CB 4.28Å; F595-D600 HydrophobicContact CD1-CB 3.93Å; F595-L601 HydrophobicContact CB-CB 3.98Å; F595-L601 HydrophobicContact CD1-CB 4.07Å; F595-L601 HydrophobicContact CD2-CB 3.65Å; F595-L601 HydrophobicContact CD2-CD1 3.7Å; F595-L601 HydrophobicContact CD2-CG 3.59Å; F595-L601 HydrophobicContact CE1-CB 4.48Å; F595-L601 HydrophobicContact CE2-CB 4.1Å; F595-L601 HydrophobicContact CE2-CD1 4.16Å; F595-L601 HydrophobicContact CE2-CG 3.73Å; F595-L601 HydrophobicContact CG-CB 3.63Å; F595-L601 HydrophobicContact CG-CD1 4.41Å; F595-L601 HydrophobicContact CG-CG 4.12Å; F595-L601 HydrophobicContact CZ-CB 4.48Å; F595-L601 HydrophobicContact CZ-CG 4.38Å; F595-H604 HydrophobicContact CE1-CB 3.55Å; F595-H604 AromaticContact CE1-CG 3.79Å; F595-H604 HydrophobicContact CZ-CB 3.9Å; F595-H604 AromaticContact CZ-CD2 3.67Å; F595-H604 AromaticContact CZ-CG 3.86Å; F595-Y605 HydrophobicContact CE2-CE2 4.04Å; F595-Y605 HydrophobicContact CZ-CE2 4.03Å
596	N	87.8	Confident	92.4	Very high	121 Å²	121	57.8 Å²	57.8	65%	0.647	33%	0.327	S	S	*	.	S	Bend	trans	-86	-27.9	-177.4	-67.5	-37.1	0	0	0	112.1	Q587	Q587-N596 PolarHBondContact NE2-OD1 2.94Å
597	C	86.2	Confident	92.9	Very high	43 Å²	43	59.4 Å²	59.4	29%	0.291	33%	0.331	S	S	.	.	S	Bend	trans	-130.1	167.7	162.7	76.4	0	0	0	0	111.2	F595 D599 D600	F595-C597 WeakPolarHBondContact CB-O 3.43Å; C597-D599 VanDerWaalsContact C-N 3.35Å; C597-D600 PolarHBondContact N-OD2 2.8Å; C597-D600 PolarHBondContact SG-N 3.2Å; C597-D600 VanDerWaalsContact SG-N 3.41Å; C597-D600 PolarHBondContact SG-OD1 2.92Å; C597-D600 VanDerWaalsContact SG-OD1 3.34Å; C597-D600 PolarHBondContact SG-OD2 2.83Å
598	I	92	Very high	93.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-76	-25.2	178.7	-169.2	166.9	0	0	0	112.5	H526 W531 V556 L566 Y588 L601 I602	H526-I598 WeakPolarHBondContact CE1-CG2 3.18Å; W531-I598 HydrophobicContact CH2-CB 4.47Å; W531-I598 HydrophobicContact CH2-CD1 4.04Å; W531-I598 HydrophobicContact CH2-CG1 4.25Å; W531-I598 HydrophobicContact CH2-CG2 3.45Å; W531-I598 VanDerWaalsContact CH2-CG2 3.45Å; W531-I598 HydrophobicContact CZ2-CG2 3.91Å; W531-I598 HydrophobicContact CZ3-CD1 3.99Å; W531-I598 HydrophobicContact CZ3-CG2 4.43Å; V556-I598 HydrophobicContact CG1-CD1 3.95Å; L566-I598 HydrophobicContact CD1-CD1 3.61Å; Y588-I598 HydrophobicContact CD1-CB 3.92Å; Y588-I598 HydrophobicContact CD1-CD1 4.3Å; Y588-I598 HydrophobicContact CD1-CG1 4.29Å; Y588-I598 HydrophobicContact CD2-CB 4.38Å; Y588-I598 HydrophobicContact CE1-CB 3.78Å; Y588-I598 HydrophobicContact CE1-CD1 4.19Å; Y588-I598 HydrophobicContact CE1-CG1 4.39Å; Y588-I598 HydrophobicContact CE2-CB 4.27Å; Y588-I598 HydrophobicContact CG-CB 4.22Å; I598-L601 WeakPolarHBondContact O-CB 3.48Å; I598-L601 PolarHBondContact O-N 3Å; I598-I602 HydrophobicContact CG1-CD1 4.1Å; I598-I602 HydrophobicContact CG1-CG1 4.45Å; I598-I602 WeakPolarHBondContact O-CG1 3.43Å; I598-I602 PolarHBondContact O-N 3.13Å
599	D	88	Confident	93.1	Very high	48 Å²	48	60.7 Å²	60.7	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-43.7	175.5	-59.1	-77	0	0	0	110.5	R529 C597 L601 I602 E603	R529-D599 IonicContact CZ-OD1 3.63Å; R529-D599 IonicContact CZ-OD2 2.68Å; R529-D599 IonicContact NE-OD1 2.68Å; R529-D599 PolarHBondContact NE-OD1 2.94Å; R529-D599 VanDerWaalsContact NE-OD1 3.11Å; R529-D599 IonicContact NE-OD2 2.79Å; R529-D599 IonicContact NH2-OD1 2.72Å; R529-D599 PolarHBondContact NH2-OD1 2.8Å; R529-D599 VanDerWaalsContact NH2-OD1 3.1Å; R529-D599 IonicContact NH2-OD2 2.76Å; R529-D599 PolarHBondContact NH2-OD2 2.82Å; C597-D599 VanDerWaalsContact C-N 3.35Å; D599-L601 PolarHBondContact O-N 3.46Å; D599-I602 PolarHBondContact O-N 2.88Å; D599-E603 WeakPolarHBondContact O-CB 3.16Å; D599-E603 PolarHBondContact O-N 2.84Å
600	D	91.6	Very high	93	Very high	68 Å²	68	59.4 Å²	59.4	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-55	-40.1	172.2	-54.2	-35.5	0	0	0	112	F595 C597 H604	F595-D600 HydrophobicContact CB-CB 4.28Å; F595-D600 HydrophobicContact CD1-CB 3.93Å; C597-D600 PolarHBondContact N-OD2 2.8Å; C597-D600 PolarHBondContact SG-N 3.2Å; C597-D600 VanDerWaalsContact SG-N 3.41Å; C597-D600 PolarHBondContact SG-OD1 2.92Å; C597-D600 VanDerWaalsContact SG-OD1 3.34Å; C597-D600 PolarHBondContact SG-OD2 2.83Å; D600-H604 VanDerWaalsContact O-CB 3.24Å; D600-H604 WeakPolarHBondContact O-CB 3.08Å; D600-H604 PolarHBondContact O-N 3.45Å
601	L	95.9	Very high	93	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.7	-47.2	-179.7	-175.1	162.9	0	0	0	110.1	I568 V581 I590 F595 I598 D599 H604 Y605	I568-L601 HydrophobicContact CD1-CD2 3.38Å; V581-L601 HydrophobicContact CG1-CD1 3.77Å; V581-L601 HydrophobicContact CG2-CD1 4.18Å; I590-L601 HydrophobicContact CB-CD1 4.43Å; I590-L601 HydrophobicContact CG2-CD1 3.71Å; I590-L601 HydrophobicContact CG2-CD2 4.49Å; I590-L601 HydrophobicContact CG2-CG 4.01Å; F595-L601 HydrophobicContact CB-CB 3.98Å; F595-L601 HydrophobicContact CD1-CB 4.07Å; F595-L601 HydrophobicContact CD2-CB 3.65Å; F595-L601 HydrophobicContact CD2-CD1 3.7Å; F595-L601 HydrophobicContact CD2-CG 3.59Å; F595-L601 HydrophobicContact CE1-CB 4.48Å; F595-L601 HydrophobicContact CE2-CB 4.1Å; F595-L601 HydrophobicContact CE2-CD1 4.16Å; F595-L601 HydrophobicContact CE2-CG 3.73Å; F595-L601 HydrophobicContact CG-CB 3.63Å; F595-L601 HydrophobicContact CG-CD1 4.41Å; F595-L601 HydrophobicContact CG-CG 4.12Å; F595-L601 HydrophobicContact CZ-CB 4.48Å; F595-L601 HydrophobicContact CZ-CG 4.38Å; I598-L601 WeakPolarHBondContact O-CB 3.48Å; I598-L601 PolarHBondContact O-N 3Å; D599-L601 PolarHBondContact O-N 3.46Å; L601-H604 PolarHBondContact O-N 2.85Å; L601-Y605 HydrophobicContact CD2-CD2 3.94Å; L601-Y605 HydrophobicContact CD2-CE2 4.37Å; L601-Y605 HydrophobicContact CG-CD2 4.29Å; L601-Y605 HydrophobicContact CG-CE2 4.38Å; L601-Y605 VanDerWaalsContact O-CD2 3.26Å; L601-Y605 WeakPolarHBondContact O-CD2 3.48Å; L601-Y605 PolarHBondContact O-N 3.38Å; L601-Y605 VanDerWaalsContact O-N 3.11Å
602	I	94.2	Very high	93	Very high	19 Å²	19	64.5 Å²	64.5	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-64.9	-47.2	-179.8	-69.9	167.9	0	0	0	110.5	W531 F554 V556 I598 D599 H604 Y605 G606	W531-I602 HydrophobicContact CD2-CD1 3.48Å; W531-I602 VanDerWaalsContact CD2-CD1 3.48Å; W531-I602 HydrophobicContact CE3-CD1 3.93Å; W531-I602 HydrophobicContact CG-CD1 3.91Å; W531-I602 HydrophobicContact CH2-CD1 4.14Å; W531-I602 HydrophobicContact CZ2-CD1 3.66Å; W531-I602 HydrophobicContact CZ3-CD1 4.25Å; F554-I602 HydrophobicContact CE1-CG2 4.5Å; F554-I602 HydrophobicContact CE2-CD1 4.24Å; F554-I602 HydrophobicContact CE2-CG1 4.31Å; F554-I602 HydrophobicContact CE2-CG2 3.98Å; F554-I602 HydrophobicContact CZ-CG2 3.53Å; V556-I602 HydrophobicContact CG2-CD1 4.18Å; I598-I602 HydrophobicContact CG1-CD1 4.1Å; I598-I602 HydrophobicContact CG1-CG1 4.45Å; I598-I602 WeakPolarHBondContact O-CG1 3.43Å; I598-I602 PolarHBondContact O-N 3.13Å; D599-I602 PolarHBondContact O-N 2.88Å; I602-H604 VanDerWaalsContact C-N 3.33Å; I602-H604 PolarHBondContact O-N 2.81Å; I602-Y605 CarbonylContact O-C 3.59Å; I602-Y605 PolarHBondContact O-N 2.9Å; I602-G606 PolarHBondContact O-N 2.97Å
603	E	90.2	Very high	93	Very high	149 Å²	149	58.3 Å²	58.3	70%	0.696	31%	0.308	S	S	*	.	H	α-helix	trans	-60.2	-42.2	176.9	-174.5	178.9	-175.6	0	0	111.8	D599 Y605 G606 S607	D599-E603 WeakPolarHBondContact O-CB 3.16Å; D599-E603 PolarHBondContact O-N 2.84Å; E603-Y605 VanDerWaalsContact C-N 3.32Å; E603-Y605 PolarHBondContact O-N 2.7Å; E603-G606 PolarHBondContact O-N 2.96Å; E603-S607 PolarHBondContact O-N 3.34Å; E603-S607 PolarHBondContact O-OG 3.16Å
604	H	94	Very high	92.8	Very high	35 Å²	35	62.5 Å²	62.5	16%	0.162	33%	0.329	C	S	.	.	H	α-helix	trans	-59	-43.8	175.6	-176.1	66.2	0	0	0	112.1	K593 F595 D600 L601 I602 S607 H608	K593-H604 VanDerWaalsContact CE-NE2 3.3Å; K593-H604 WeakPolarHBondContact CE-NE2 3.18Å; K593-H604 PolarHBondContact NZ-CE1 2.55Å; K593-H604 VanDerWaalsContact NZ-CE1 3.31Å; K593-H604 PolarHBondContact NZ-NE2 3.38Å; F595-H604 HydrophobicContact CE1-CB 3.55Å; F595-H604 AromaticContact CE1-CG 3.79Å; F595-H604 HydrophobicContact CZ-CB 3.9Å; F595-H604 AromaticContact CZ-CD2 3.67Å; F595-H604 AromaticContact CZ-CG 3.86Å; D600-H604 VanDerWaalsContact O-CB 3.24Å; D600-H604 WeakPolarHBondContact O-CB 3.08Å; D600-H604 PolarHBondContact O-N 3.45Å; L601-H604 PolarHBondContact O-N 2.85Å; I602-H604 VanDerWaalsContact C-N 3.33Å; I602-H604 PolarHBondContact O-N 2.81Å; H604-S607 PolarHBondContact O-N 3.17Å; H604-S607 PolarHBondContact O-OG 3.1Å; H604-H608 AromaticContact CE1-CD2 3.62Å; H604-H608 AromaticContact CE1-CE1 3.59Å; H604-H608 AromaticContact CE1-CG 3.36Å; H604-H608 AromaticContact CE1-ND1 3.33Å; H604-H608 PolarHBondContact CE1-ND1 3.48Å; H604-H608 VanDerWaalsContact CE1-ND1 3.33Å; H604-H608 AromaticContact CE1-NE2 3.74Å; H604-H608 AromaticContact ND1-CE1 3.77Å; H604-H608 AromaticContact ND1-CG 3.94Å; H604-H608 AromaticContact ND1-ND1 3.46Å; H604-H608 PolarHBondContact ND1-ND1 2.8Å; H604-H608 AromaticContact NE2-CG 3.75Å; H604-H608 VanDerWaalsContact O-CB 3.27Å; H604-H608 WeakPolarHBondContact O-CB 3.26Å; H604-H608 PolarHBondContact O-N 2.94Å; H604-H608 PolarHBondContact O-ND1 3.17Å; H604-H608 VanDerWaalsContact O-ND1 3.1Å
605	Y	96.9	Very high	92.6	Very high	22 Å²	22	67.4 Å²	67.4	9%	0.086	35%	0.347	C	S	.	.	H	α-helix	trans	-86	-4.5	-179.1	-73.7	-67.9	0	0	0	115.1	I590 K593 F595 L601 I602 E603 H608 I610 L620	I590-Y605 HydrophobicContact CD1-CE2 4.11Å; I590-Y605 HydrophobicContact CG2-CE2 3.58Å; K593-Y605 WeakPolarHBondContact CD-OH 3.41Å; F595-Y605 HydrophobicContact CE2-CE2 4.04Å; F595-Y605 HydrophobicContact CZ-CE2 4.03Å; L601-Y605 HydrophobicContact CD2-CD2 3.94Å; L601-Y605 HydrophobicContact CD2-CE2 4.37Å; L601-Y605 HydrophobicContact CG-CD2 4.29Å; L601-Y605 HydrophobicContact CG-CE2 4.38Å; L601-Y605 VanDerWaalsContact O-CD2 3.26Å; L601-Y605 WeakPolarHBondContact O-CD2 3.48Å; L601-Y605 PolarHBondContact O-N 3.38Å; L601-Y605 VanDerWaalsContact O-N 3.11Å; I602-Y605 CarbonylContact O-C 3.59Å; I602-Y605 PolarHBondContact O-N 2.9Å; E603-Y605 VanDerWaalsContact C-N 3.32Å; E603-Y605 PolarHBondContact O-N 2.7Å; Y605-H608 CarbonylContact C-O 3.28Å; Y605-H608 VanDerWaalsContact CA-O 3.28Å; Y605-H608 WeakPolarHBondContact CA-O 3.24Å; Y605-I610 HydrophobicContact CD1-CB 3.55Å; Y605-I610 HydrophobicContact CD1-CG1 3.81Å; Y605-I610 HydrophobicContact CE1-CB 4.08Å; Y605-I610 HydrophobicContact CE1-CG1 4Å; Y605-I610 HydrophobicContact CG-CB 4.01Å; Y605-I610 HydrophobicContact CG-CD1 4.29Å; Y605-I610 HydrophobicContact CG-CG1 4.07Å; Y605-L620 PolarHBondContact O-N 3.12Å
606	G	93.7	Very high	92.4	Very high	36 Å²	36	68.4 Å²	68.4	37%	0.371	35%	0.352	S	S	.	.	H	α-helix	trans	-74.4	-34.7	161	0	0	0	0	0	112.3	I602 E603 L620	I602-G606 PolarHBondContact O-N 2.97Å; E603-G606 PolarHBondContact O-N 2.96Å; G606-L620 VanDerWaalsContact CA-O 3.28Å; G606-L620 WeakPolarHBondContact CA-O 3.4Å
607	S	90.9	Very high	92.7	Very high	77 Å²	77	68.6 Å²	68.6	54%	0.538	35%	0.347	S	S	.	.	H	α-helix	trans	-93.6	-24.5	178.5	52.6	0	0	0	0	114.4	E603 H604	E603-S607 PolarHBondContact O-N 3.34Å; E603-S607 PolarHBondContact O-OG 3.16Å; H604-S607 PolarHBondContact O-N 3.17Å; H604-S607 PolarHBondContact O-OG 3.1Å
608	H	94.7	Very high	93.1	Very high	91 Å²	91	67.5 Å²	67.5	42%	0.421	34%	0.338	S	S	.	.	S	Bend	trans	-122	142.7	-178	-59.4	70.1	0	0	0	110.8	H604 Y605 I610	H604-H608 AromaticContact CE1-CD2 3.62Å; H604-H608 AromaticContact CE1-CE1 3.59Å; H604-H608 AromaticContact CE1-CG 3.36Å; H604-H608 AromaticContact CE1-ND1 3.33Å; H604-H608 PolarHBondContact CE1-ND1 3.48Å; H604-H608 VanDerWaalsContact CE1-ND1 3.33Å; H604-H608 AromaticContact CE1-NE2 3.74Å; H604-H608 AromaticContact ND1-CE1 3.77Å; H604-H608 AromaticContact ND1-CG 3.94Å; H604-H608 AromaticContact ND1-ND1 3.46Å; H604-H608 PolarHBondContact ND1-ND1 2.8Å; H604-H608 AromaticContact NE2-CG 3.75Å; H604-H608 VanDerWaalsContact O-CB 3.27Å; H604-H608 WeakPolarHBondContact O-CB 3.26Å; H604-H608 PolarHBondContact O-N 2.94Å; H604-H608 PolarHBondContact O-ND1 3.17Å; H604-H608 VanDerWaalsContact O-ND1 3.1Å; Y605-H608 CarbonylContact C-O 3.28Å; Y605-H608 VanDerWaalsContact CA-O 3.28Å; Y605-H608 WeakPolarHBondContact CA-O 3.24Å; H608-I610 PolarHBondContact O-N 2.98Å
609	P	95.6	Very high	93.3	Very high	41 Å²	41	71.3 Å²	71.3	27%	0.266	35%	0.352	S	S	.	.			trans	-69.8	124.3	-175	27.2	-33.4	0	0	0	111.8	F611 K612 K617 H618 Y619	P609-F611 VanDerWaalsContact C-N 3.27Å; P609-K612 HydrophobicContact CB-CB 4.34Å; P609-K612 HydrophobicContact CG-CB 4.26Å; P609-K617 HydrophobicContact CB-CB 4.25Å; P609-H618 CarbonylContact C-O 3.45Å; P609-H618 WeakPolarHBondContact CA-O 3.33Å; P609-Y619 HydrophobicContact CB-CD1 4.44Å; P609-Y619 HydrophobicContact CB-CE1 4.08Å; P609-Y619 HydrophobicContact CB-CE2 4.19Å; P609-Y619 HydrophobicContact CG-CE1 4.35Å
610	I	95.6	Very high	93.6	Very high	19 Å²	19	69.3 Å²	69.3	10%	0.097	34%	0.342	C	S	.	.	S	Bend	trans	-70.3	-27.6	174.1	-163	169.9	0	0	0	111.9	I568 I570 F579 I590 Y605 H608 H618 L620	I568-I610 HydrophobicContact CG2-CD1 4.45Å; I570-I610 HydrophobicContact CD1-CG2 4.48Å; F579-I610 HydrophobicContact CB-CD1 4.08Å; F579-I610 HydrophobicContact CD1-CD1 4.23Å; F579-I610 HydrophobicContact CD1-CG1 3.93Å; F579-I610 HydrophobicContact CD2-CD1 3.75Å; F579-I610 HydrophobicContact CD2-CG1 4.16Å; F579-I610 HydrophobicContact CD2-CG2 4.47Å; F579-I610 HydrophobicContact CE1-CG1 4.09Å; F579-I610 HydrophobicContact CE2-CD1 4.26Å; F579-I610 HydrophobicContact CE2-CG1 4.32Å; F579-I610 HydrophobicContact CE2-CG2 3.93Å; F579-I610 HydrophobicContact CG-CD1 3.74Å; F579-I610 HydrophobicContact CG-CG1 3.97Å; F579-I610 HydrophobicContact CZ-CG1 4.3Å; F579-I610 HydrophobicContact CZ-CG2 3.96Å; I590-I610 HydrophobicContact CD1-CD1 3.88Å; I590-I610 HydrophobicContact CD1-CG1 4.15Å; Y605-I610 HydrophobicContact CD1-CB 3.55Å; Y605-I610 HydrophobicContact CD1-CG1 3.81Å; Y605-I610 HydrophobicContact CE1-CB 4.08Å; Y605-I610 HydrophobicContact CE1-CG1 4Å; Y605-I610 HydrophobicContact CG-CB 4.01Å; Y605-I610 HydrophobicContact CG-CD1 4.29Å; Y605-I610 HydrophobicContact CG-CG1 4.07Å; H608-I610 PolarHBondContact O-N 2.98Å; I610-H618 HydrophobicContact CG2-CB 4.43Å; I610-H618 PolarHBondContact N-O 3.37Å; I610-L620 HydrophobicContact CD1-CD1 4.38Å; I610-L620 HydrophobicContact CD1-CD2 4.17Å; I610-L620 HydrophobicContact CD1-CG 4.41Å; I610-L620 HydrophobicContact CG2-CD2 4.44Å
611	F	94.6	Very high	93.5	Very high	55 Å²	55	70.2 Å²	70.2	24%	0.241	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.5	166.5	176.4	-83.4	0	0	0	109.9	R577 F579 P609 N613 E616 K617 H618	R577-F611 VanDerWaalsContact NH1-CE2 3.33Å; F579-F611 HydrophobicContact CE1-CB 4.08Å; F579-F611 HydrophobicContact CZ-CB 3.78Å; P609-F611 VanDerWaalsContact C-N 3.27Å; F611-N613 HydrophobicContact CE1-CB 3.96Å; F611-N613 HydrophobicContact CZ-CB 4.06Å; F611-E616 HydrophobicContact CE1-CB 4.49Å; F611-K617 WeakPolarHBondContact O-CA 3.36Å; F611-H618 HydrophobicContact CB-CB 4.38Å; F611-H618 AromaticContact CD1-CD2 3.57Å; F611-H618 PolarHBondContact O-N 3.4Å
612	K	93.3	Very high	93.2	Very high	146 Å²	146	74.9 Å²	74.9	64%	0.635	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	129.8	173.9	173.3	-178.6	172.6	-168.2	0	108.8	P609 E616 K617	P609-K612 HydrophobicContact CB-CB 4.34Å; P609-K612 HydrophobicContact CG-CB 4.26Å; K612-E616 WeakPolarHBondContact CA-O 3.34Å; K612-K617 HydrophobicContact CG-CG 4.2Å
613	N	91.8	Very high	93.2	Very high	68 Å²	68	75.7 Å²	75.7	36%	0.364	38%	0.378	S	S	.	.			trans	-125.7	-160.1	157.9	69.1	9.9	0	0	0	108.7	F611 H615 E616	F611-N613 HydrophobicContact CE1-CB 3.96Å; F611-N613 HydrophobicContact CZ-CB 4.06Å; N613-H615 VanDerWaalsContact C-N 3.31Å; N613-H615 PolarHBondContact O-N 3.18Å; N613-H615 PolarHBondContact OD1-N 3.3Å; N613-E616 PolarHBondContact N-O 3.07Å; N613-E616 WeakPolarHBondContact OD1-CB 3.36Å; N613-E616 PolarHBondContact OD1-N 2.98Å; N613-E616 PolarHBondContact OD1-O 3.29Å
614	E	92.7	Very high	93.4	Very high	182 Å²	182	68.7 Å²	68.7	85%	0.85	35%	0.346	S	S	*	.	S	Bend	trans	-72.8	-20.4	-178.4	-61.4	-178.1	168.3	0	0	113.8
615	H	90.9	Very high	93.1	Very high	173 Å²	173	71.9 Å²	71.9	80%	0.801	37%	0.367	S	S	*	.	S	Bend	trans	-119.5	-26.3	-172.1	-52.9	-45.2	0	0	0	113.9	N613	N613-H615 VanDerWaalsContact C-N 3.31Å; N613-H615 PolarHBondContact O-N 3.18Å; N613-H615 PolarHBondContact OD1-N 3.3Å
616	E	90.2	Very high	92.7	Very high	43 Å²	43	72 Å²	72	20%	0.201	37%	0.368	C	S	.	.			trans	-125.1	138.6	-173.6	-61.8	-179.3	-179	0	0	110.7	N574 R577 F611 K612 N613 H618	N574-E616 PolarHBondContact ND2-OE1 3.5Å; R577-E616 IonicContact CZ-OE2 2.95Å; R577-E616 IonicContact NE-OE2 2.73Å; R577-E616 IonicContact NH2-OE2 3.74Å; R577-E616 PolarHBondContact NH2-OE2 3.47Å; F611-E616 HydrophobicContact CE1-CB 4.49Å; K612-E616 WeakPolarHBondContact CA-O 3.34Å; N613-E616 PolarHBondContact N-O 3.07Å; N613-E616 WeakPolarHBondContact OD1-CB 3.36Å; N613-E616 PolarHBondContact OD1-N 2.98Å; N613-E616 PolarHBondContact OD1-O 3.29Å; E616-H618 IonicContact OE2-CD2 3.3Å; E616-H618 IonicContact OE2-CE1 3.11Å; E616-H618 IonicContact OE2-NE2 3.71Å; E616-H618 PolarHBondContact OE2-NE2 3.37Å
617	K	93.5	Very high	92	Very high	125 Å²	125	73.8 Å²	73.8	54%	0.543	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.4	165.4	-63.8	175.5	-170.7	167.5	0	107.9	P609 F611 K612 Y619	P609-K617 HydrophobicContact CB-CB 4.25Å; F611-K617 WeakPolarHBondContact O-CA 3.36Å; K612-K617 HydrophobicContact CG-CG 4.2Å; K617-Y619 HydrophobicContact CB-CD2 4.39Å; K617-Y619 HydrophobicContact CB-CE2 3.63Å; K617-Y619 HydrophobicContact CD-CE2 4.42Å
618	H	94.1	Very high	91.2	Very high	21 Å²	21	71 Å²	71	10%	0.097	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132	-179.5	-60.8	-54.1	0	0	0	109.5	I570 A572 P609 I610 F611 E616	I570-H618 HydrophobicContact CD1-CB 4.22Å; A572-H618 PolarHBondContact O-CE1 3.46Å; P609-H618 CarbonylContact C-O 3.45Å; P609-H618 WeakPolarHBondContact CA-O 3.33Å; I610-H618 HydrophobicContact CG2-CB 4.43Å; I610-H618 PolarHBondContact N-O 3.37Å; F611-H618 HydrophobicContact CB-CB 4.38Å; F611-H618 AromaticContact CD1-CD2 3.57Å; F611-H618 PolarHBondContact O-N 3.4Å; E616-H618 IonicContact OE2-CD2 3.3Å; E616-H618 IonicContact OE2-CE1 3.11Å; E616-H618 IonicContact OE2-NE2 3.71Å; E616-H618 PolarHBondContact OE2-NE2 3.37Å
619	Y	96	Very high	89.5	Confident	79 Å²	79	71 Å²	71	31%	0.31	36%	0.359	S	S	.	.			trans	-127.7	145.2	-177.5	-62.8	-101.6	0	0	0	108.3	G552 I570 P609 K617 T621	G552-Y619 WeakPolarHBondContact CA-O 3.31Å; I570-Y619 WeakPolarHBondContact CD1-O 3.36Å; P609-Y619 HydrophobicContact CB-CD1 4.44Å; P609-Y619 HydrophobicContact CB-CE1 4.08Å; P609-Y619 HydrophobicContact CB-CE2 4.19Å; P609-Y619 HydrophobicContact CG-CE1 4.35Å; K617-Y619 HydrophobicContact CB-CD2 4.39Å; K617-Y619 HydrophobicContact CB-CE2 3.63Å; K617-Y619 HydrophobicContact CD-CE2 4.42Å; Y619-T621 PolarHBondContact O-N 3.5Å
620	L	95.2	Very high	86.8	Confident	6 Å²	6	77.4 Å²	77.4	3%	0.031	38%	0.383	C	S	.	.			trans	-74.9	90.9	175.1	-59.8	-176.2	0	0	0	109	F554 I568 I570 Y605 G606 I610	F554-L620 HydrophobicContact CB-CD2 3.77Å; F554-L620 HydrophobicContact CD1-CB 3.64Å; F554-L620 HydrophobicContact CD1-CD2 4.01Å; F554-L620 HydrophobicContact CD1-CG 4.31Å; F554-L620 HydrophobicContact CD2-CD1 4.47Å; F554-L620 HydrophobicContact CD2-CD2 4.27Å; F554-L620 HydrophobicContact CE1-CB 3.68Å; F554-L620 HydrophobicContact CE2-CD1 4.49Å; F554-L620 HydrophobicContact CG-CB 4.22Å; F554-L620 HydrophobicContact CG-CD2 3.75Å; F554-L620 HydrophobicContact CG-CG 4.4Å; F554-L620 HydrophobicContact CZ-CB 4.27Å; I568-L620 HydrophobicContact CD1-CD1 4.41Å; I568-L620 HydrophobicContact CG2-CD1 4.28Å; I568-L620 HydrophobicContact CG2-CD2 3.79Å; I570-L620 HydrophobicContact CB-CD2 4.36Å; I570-L620 HydrophobicContact CD1-CD2 4.02Å; I570-L620 HydrophobicContact CG1-CD2 4.28Å; Y605-L620 PolarHBondContact O-N 3.12Å; G606-L620 VanDerWaalsContact CA-O 3.28Å; G606-L620 WeakPolarHBondContact CA-O 3.4Å; I610-L620 HydrophobicContact CD1-CD1 4.38Å; I610-L620 HydrophobicContact CD1-CD2 4.17Å; I610-L620 HydrophobicContact CD1-CG 4.41Å; I610-L620 HydrophobicContact CG2-CD2 4.44Å
621	T	90.3	Very high	83.6	Confident	88 Å²	88	80 Å²	80	54%	0.54	40%	0.402	S	S	.	.			trans	-76.2	-49.5	-170.5	56.1	0	0	0	0	112.3	G552 E553 Y619	G552-T621 WeakPolarHBondContact CA-OG1 3.44Å; G552-T621 PolarHBondContact O-N 3.28Å; G552-T621 PolarHBondContact O-OG1 3.05Å; G552-T621 VanDerWaalsContact O-OG1 3.13Å; E553-T621 PolarHBondContact N-OG1 3.23Å; Y619-T621 PolarHBondContact O-N 3.5Å
622	Q	89.4	Confident	80.6	Confident	98 Å²	98	83 Å²	83	46%	0.458	43%	0.425	S	S	.	.	S	Bend	trans	-158.3	157.3	176.7	64.5	-173.2	8.7	0	0	112.2	E553 F554 F624	E553-Q622 WeakPolarHBondContact CA-O 3.38Å; E553-Q622 HydrophobicContact CG-CG 3.81Å; E553-Q622 PolarHBondContact OE1-NE2 2.76Å; F554-Q622 WeakPolarHBondContact CD1-O 3.39Å; F554-Q622 WeakPolarHBondContact CE1-O 3.4Å; F554-Q622 PolarHBondContact N-O 2.88Å; F554-Q622 VanDerWaalsContact N-O 3.17Å; Q622-F624 PolarHBondContact O-N 3.43Å
623	P	93.5	Very high	77.7	Confident	36 Å²	36	81.5 Å²	81.5	23%	0.234	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-55.2	134	168.2	-24	34.9	0	0	0	111.6	P530 W531 F554	P530-P623 HydrophobicContact CB-CB 4.26Å; P530-P623 HydrophobicContact CG-CB 4.37Å; P530-P623 HydrophobicContact CG-CG 4.12Å; W531-P623 HydrophobicContact CB-CB 3.88Å; W531-P623 HydrophobicContact CB-CG 3.97Å; W531-P623 HydrophobicContact CG-CG 4.48Å; F554-P623 HydrophobicContact CZ-CG 4.44Å
624	F	93.6	Very high	74.7	Confident	2 Å²	2	84.9 Å²	84.9	1%	0.009	44%	0.44	C	S	.	.			trans	-70.7	129.5	171.3	167.2	-106.6	0	0	0	111.1	W533 M544 L545 H548 E553 F554 I555 Q622 H626	W533-F624 HydrophobicContact CH2-CE1 4.21Å; W533-F624 AromaticContact CZ2-CD1 3.8Å; W533-F624 HydrophobicContact CZ2-CD1 3.8Å; W533-F624 AromaticContact CZ2-CE1 3.85Å; W533-F624 HydrophobicContact CZ2-CE1 3.85Å; M544-F624 HydrophobicContact CE-CD1 3.87Å; M544-F624 HydrophobicContact CE-CE1 3.65Å; M544-F624 HydrophobicContact CG-CE1 3.67Å; M544-F624 HydrophobicContact CG-CZ 3.99Å; M544-F624 HydrophobicContact SD-CD1 4.48Å; M544-F624 HydrophobicContact SD-CE1 3.68Å; L545-F624 HydrophobicContact CD2-CB 3.67Å; L545-F624 HydrophobicContact CD2-CD1 3.8Å; L545-F624 HydrophobicContact CD2-CD2 4.03Å; L545-F624 HydrophobicContact CD2-CE1 4.47Å; L545-F624 HydrophobicContact CD2-CG 3.52Å; H548-F624 HydrophobicContact CB-CE2 3.79Å; H548-F624 HydrophobicContact CB-CZ 3.74Å; E553-F624 HydrophobicContact CB-CB 4.25Å; F554-F624 PolarHBondContact O-N 3.43Å; I555-F624 HydrophobicContact CG2-CB 3.77Å; I555-F624 HydrophobicContact CG2-CD1 4.01Å; I555-F624 HydrophobicContact CG2-CG 4.37Å; Q622-F624 PolarHBondContact O-N 3.43Å; F624-H626 HydrophobicContact CE1-CB 3.92Å; F624-H626 HydrophobicContact CZ-CB 4.02Å
625	V	89.1	Confident	71.7	Confident	101 Å²	101	85.9 Å²	85.9	61%	0.612	44%	0.437	S	S	*	.			trans	-112.6	120.8	174.2	-178.8	0	0	0	0	108.9
626	H	87.6	Confident	69	Low	24 Å²	24	86.4 Å²	86.4	11%	0.111	44%	0.44	C	S	.	.			trans	-70.1	135.7	-179.9	-172.6	-81.6	0	0	0	111.1	G509 W533 H548 F624 G628	G509-H626 WeakPolarHBondContact CA-O 3.33Å; W533-H626 HydrophobicContact CH2-CB 3.85Å; W533-H626 HydrophobicContact CZ2-CB 4.19Å; H548-H626 AromaticContact CD2-NE2 3.69Å; F624-H626 HydrophobicContact CE1-CB 3.92Å; F624-H626 HydrophobicContact CZ-CB 4.02Å; H626-G628 PolarHBondContact ND1-N 2.94Å; H626-G628 PolarHBondContact O-N 3.19Å
627	P	80.4	Confident	66.3	Low	75 Å²	75	89.4 Å²	89.4	49%	0.487	47%	0.466	S	S	.	.			trans	-71.9	17.1	-175.4	30	-37.5	0	0	0	115.3	H548	H548-P627 HydrophobicContact CB-CG 4.16Å
628	G	72.2	Confident	63.1	Low	18 Å²	18	91.3 Å²	91.3	19%	0.186	48%	0.482	C	S	.	.			trans	64.8	169.6	-169.3	0	0	0	0	0	114.1	H626 K630	H626-G628 PolarHBondContact ND1-N 2.94Å; H626-G628 PolarHBondContact O-N 3.19Å; G628-K630 PolarHBondContact O-N 2.89Å
629	I	59	Low	60.3	Low	92 Å²	92	97.2 Å²	97.2	47%	0.472	52%	0.515	S	S	.	.			trans	-88.2	100.3	167.7	-58.4	178.2	0	0	0	107.7	P506 T507 S631	P506-I629 WeakPolarHBondContact CA-O 3.3Å; P506-I629 WeakPolarHBondContact CB-O 3.44Å; T507-I629 PolarHBondContact O-N 3.42Å; I629-S631 PolarHBondContact O-N 2.94Å
630	K	39.5	Very low	57.3	Low	175 Å²	175	100 Å²	100	76%	0.761	54%	0.535	S	S	*	.			trans	-66.4	126.1	168.5	-67.7	-175.8	-178.5	178.8	0	108.8	G628 V632	G628-K630 PolarHBondContact O-N 2.89Å; K630-V632 PolarHBondContact O-N 3.11Å
631	S	29.4	Very low	54.3	Low	72 Å²	72	103.8 Å²	103.8	50%	0.503	56%	0.562	S	S	.	*			trans	-64.1	101.4	174.2	40.6	0	0	0	0	110	I629 I633	I629-S631 PolarHBondContact O-N 2.94Å; S631-I633 VanDerWaalsContact C-N 3.3Å; S631-I633 PolarHBondContact O-N 2.95Å
632	V	31.2	Very low	51.5	Low	119 Å²	119	107.1 Å²	107.1	72%	0.721	58%	0.577	S	S	*	*			trans	-71.9	90	172.2	-177.1	0	0	0	0	108.3	K630 L634	K630-V632 PolarHBondContact O-N 3.11Å; V632-L634 HydrophobicContact CG1-CD2 3.83Å; V632-L634 HydrophobicContact CG1-CG 4.18Å; V632-L634 PolarHBondContact O-N 3.36Å
633	I	31.5	Very low	48.9	Very low	114 Å²	114	107.3 Å²	107.3	59%	0.585	59%	0.589	S	S	*	*			trans	-69	110.4	153.6	-61.5	179.2	0	0	0	105.3	S631 Y635	S631-I633 VanDerWaalsContact C-N 3.3Å; S631-I633 PolarHBondContact O-N 2.95Å; I633-Y635 HydrophobicContact CG2-CD1 4.47Å; I633-Y635 HydrophobicContact CG2-CE1 4.33Å; I633-Y635 WeakPolarHBondContact O-CD2 3.33Å; I633-Y635 WeakPolarHBondContact O-CE2 3.42Å; I633-Y635 PolarHBondContact O-N 3.31Å; I633-Y635 VanDerWaalsContact O-N 3.07Å
634	L	30.2	Very low	46	Very low	140 Å²	140	112.4 Å²	112.4	73%	0.733	61%	0.613	S	S	*	*			trans	-66.5	106.9	171.6	-71.5	171.3	0	0	0	108.2	V632 E636	V632-L634 HydrophobicContact CG1-CD2 3.83Å; V632-L634 HydrophobicContact CG1-CG 4.18Å; V632-L634 PolarHBondContact O-N 3.36Å; L634-E636 PolarHBondContact O-N 3.17Å
635	Y	29.3	Very low	43.2	Very low	202 Å²	202	118.9 Å²	118.9	79%	0.792	65%	0.647	S	S	*	*			trans	-74.5	78.5	168.8	-46.4	-79.1	0	0	0	109	I633	I633-Y635 HydrophobicContact CG2-CD1 4.47Å; I633-Y635 HydrophobicContact CG2-CE1 4.33Å; I633-Y635 WeakPolarHBondContact O-CD2 3.33Å; I633-Y635 WeakPolarHBondContact O-CE2 3.42Å; I633-Y635 PolarHBondContact O-N 3.31Å; I633-Y635 VanDerWaalsContact O-N 3.07Å
636	E	33.1	Very low	40.4	Very low	184 Å²	184	120.6 Å²	120.6	86%	0.86	65%	0.653	S	S	*	*			trans	-61.8	138.4	163.1	-75.4	-166.8	154.9	0	0	109.5	L634	L634-E636 PolarHBondContact O-N 3.17Å
637	S	33.8	Very low	37.8	Very low	107 Å²	107	126 Å²	126	75%	0.748	68%	0.681	S	S	*	*			trans	-78	135	-148.7	-51.4	0	0	0	0	113.6	N639	S637-N639 PolarHBondContact O-N 3.45Å
638	N	27.6	Very low	35.7	Very low	165 Å²	165	128.2 Å²	128.2	88%	0.882	69%	0.693	S	S	*	*			trans	-61.3	115.8	168.3	-141.4	0.4	0	0	0	109.2
639	N	33.6	Very low	33.8	Very low	145 Å²	145	131.8 Å²	131.8	78%	0.775	72%	0.716	S	S	*	*			trans	-150.2	122.8	168.4	-109.4	-29.4	0	0	0	112.4	S637	S637-N639 PolarHBondContact O-N 3.45Å
640	N	33.2	Very low	32.8	Very low	137 Å²	137	134.3 Å²	134.3	73%	0.733	74%	0.736	S	S	*	*			trans	63.6	99.6	169.1	-85.6	-30.7	0	0	0	121.1
641	S	32.2	Very low	32.7	Very low	86 Å²	86	132.6 Å²	132.6	60%	0.601	74%	0.74	S	S	*	*				50	117.3	99.4	-47.2	0	0	0	0	119.7
642	N	32.8	Very low	33	Very low	158 Å²	158	135 Å²	135	85%	0.845	75%	0.754	S	S	*	*			trans	76.6	144.6	146.8	-58.1	-26.3	0	0	0	120.1
643	S	34.2	Very low	33.3	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	76%	0.759	S	S	*	*			trans	65.1	101	159.7	-165.8	0	0	0	0	116
644	I	31.9	Very low	33.6	Very low	143 Å²	143	139.6 Å²	139.6	73%	0.733	77%	0.771	S	S	*	*				62	124.4	80.6	-63.8	170.2	0	0	0	112.5
645	N	34.7	Very low	33.9	Very low	137 Å²	137	138.3 Å²	138.3	73%	0.733	77%	0.774	S	S	*	*			trans	84.1	100.6	169.3	-61.4	-22.4	0	0	0	119.6
646	N	30.9	Very low	34.3	Very low	138 Å²	138	135.5 Å²	135.5	74%	0.738	77%	0.771	S	S	*	*				53.8	126.5	111.8	-87.8	-3	0	0	0	122
647	I	33.9	Very low	34.4	Very low	137 Å²	137	134.4 Å²	134.4	70%	0.703	77%	0.771	S	S	*	*			trans	93.1	122.6	131	-67.5	166.6	0	0	0	119.4
648	T	35.8	Very low	34.3	Very low	121 Å²	121	135 Å²	135	74%	0.742	77%	0.771	S	S	*	*			trans	67.6	108.6	159.8	38.8	0	0	0	0	122.8
649	S	31.8	Very low	34.8	Very low	94 Å²	94	133.6 Å²	133.6	66%	0.657	77%	0.768	S	S	*	*				36.2	128.2	120.5	65.7	0	0	0	0	121.8
650	T	37.8	Very low	34.8	Very low	145 Å²	145	131.2 Å²	131.2	89%	0.89	76%	0.763	S	S	*	*				-173.4	168.1	104	24.6	0	0	0	0	112.3
651	T	38.3	Very low	34.8	Very low	138 Å²	138	129.8 Å²	129.8	85%	0.847	76%	0.763	S	S	*	*			trans	-89.3	166	-163	38.3	0	0	0	0	116.4
652	P	35.8	Very low	35	Very low	122 Å²	122	132.7 Å²	132.7	79%	0.792	78%	0.777	S	S	*	*			trans	-107	166.9	-165.3	40.8	-35.7	0	0	0	116.3
653	T	37.4	Very low	34.8	Very low	135 Å²	135	130.5 Å²	130.5	83%	0.828	77%	0.774	S	S	*	*			trans	-146.6	117.6	169.1	42.9	0	0	0	0	116.3
654	K	36.5	Very low	34.8	Very low	195 Å²	195	130.5 Å²	130.5	85%	0.848	77%	0.774	S	S	*	*			trans	34	124.2	138.9	-60.5	-177.8	177.7	179.6	0	122.9
655	S	37.9	Very low	34.9	Very low	114 Å²	114	129.3 Å²	129.3	80%	0.797	77%	0.774	S	S	*	*				174.2	106.2	121.7	40.5	0	0	0	0	109.5
656	I	36.8	Very low	34.8	Very low	142 Å²	142	133 Å²	133	73%	0.728	78%	0.779	S	S	*	*				43.7	104.7	87.9	-50.7	179.6	0	0	0	114.6
657	N	35.1	Very low	35.1	Very low	161 Å²	161	135.6 Å²	135.6	86%	0.861	78%	0.784	S	S	*	*				-168	149.9	121.5	-100.3	-27.9	0	0	0	114.2
658	T	32.6	Very low	35	Very low	121 Å²	121	136.8 Å²	136.8	74%	0.742	79%	0.791	S	S	*	*			trans	-96.1	139.3	-170	-53.4	0	0	0	0	112.3
659	V	37.9	Very low	35.3	Very low	134 Å²	134	137.1 Å²	137.1	81%	0.812	80%	0.795	S	S	*	*				-173.3	130.7	123	-101.7	0	0	0	0	115.8
660	S	33.8	Very low	35.5	Very low	96 Å²	96	139.4 Å²	139.4	67%	0.671	81%	0.805	S	S	*	*			trans	17.3	127.5	145.1	59.2	0	0	0	0	124.3
661	S	32.4	Very low	35.4	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	80%	0.804	S	S	*	*			trans	55.3	122	132.5	67.6	0	0	0	0	122.2
662	V	36.7	Very low	35.3	Very low	148 Å²	148	134.7 Å²	134.7	90%	0.897	79%	0.791	S	S	*	*				-168.3	157.1	113.2	-93.3	0	0	0	0	111.3
663	S	29.7	Very low	35.4	Very low	112 Å²	112	134.5 Å²	134.5	78%	0.783	79%	0.792	S	S	*	*			trans	-64.8	150.9	173	-46.6	0	0	0	0	113.6
664	S	33.9	Very low	35.5	Very low	101 Å²	101	133.8 Å²	133.8	71%	0.706	79%	0.793	S	S	*	*				178.6	146.2	118.5	-80.5	0	0	0	0	115.3
665	T	32.5	Very low	35.6	Very low	119 Å²	119	127.8 Å²	127.8	73%	0.73	79%	0.786	S	S	*	*			trans	-43.4	136.8	161.9	13	0	0	0	0	116.5
666	Y	33.3	Very low	35.7	Very low	213 Å²	213	130.5 Å²	130.5	84%	0.835	79%	0.792	S	S	*	*			trans	-139.4	113.4	152.2	-74.7	-85	0	0	0	107.8
667	F	36.7	Very low	35.8	Very low	194 Å²	194	130.2 Å²	130.2	85%	0.851	80%	0.796	S	S	*	*				69.8	118.7	75.7	-90.7	-79.6	0	0	0	115.5
668	L	32.6	Very low	36	Very low	162 Å²	162	128.3 Å²	128.3	85%	0.848	79%	0.793	S	S	*	*			trans	-82.5	148	169	-64.6	167.9	0	0	0	110.5
669	P	42.7	Very low	36.3	Very low	127 Å²	127	128.7 Å²	128.7	83%	0.825	80%	0.795	S	S	*	*			trans	-87.9	152.3	174	34.7	-33.3	0	0	0	113
670	V	35	Very low	36.4	Very low	143 Å²	143	133 Å²	133	87%	0.867	80%	0.799	S	S	*	*			trans	-117.3	142.5	177.5	172.5	0	0	0	0	110.3
671	C	35.3	Very low	36.8	Very low	129 Å²	129	135.5 Å²	135.5	87%	0.872	80%	0.799	S	S	*	*			trans	-158.2	133.3	157.8	-164.4	0	0	0	0	107.5
672	G	36.2	Very low	37.2	Very low	55 Å²	55	139.1 Å²	139.1	57%	0.567	81%	0.805	S	S	*	*			cis	133.6	107.9	-1.3	0	0	0	0	0	111.4
673	S	38.7	Very low	37.2	Very low	117 Å²	117	136.4 Å²	136.4	82%	0.818	79%	0.792	S	S	*	*			trans	176.7	134.1	153.7	-82.8	0	0	0	0	114
674	S	40.1	Very low	37.8	Very low	121 Å²	121	138.4 Å²	138.4	85%	0.846	79%	0.792	S	S	*	*			trans	17.4	143.5	151.3	59.3	0	0	0	0	122
675	G	38.2	Very low	38.2	Very low	68 Å²	68	139.9 Å²	139.9	70%	0.701	80%	0.797	S	S	*	*			cis	164.1	-179.6	3.5	0	0	0	0	0	112.4
676	N	39.9	Very low	38.6	Very low	172 Å²	172	138.2 Å²	138.2	92%	0.92	80%	0.796	S	S	*	*			trans	87.4	100.6	173.7	-60.2	-9.5	0	0	0	120.1
677	T	37.7	Very low	39.4	Very low	135 Å²	135	133.3 Å²	133.3	83%	0.828	79%	0.79	S	S	*	*			trans	-70.6	170.3	152.8	41	0	0	0	0	111.8
678	P	40.2	Very low	39.7	Very low	121 Å²	121	131.4 Å²	131.4	79%	0.786	78%	0.783	S	S	*	*			cis	-149.3	-179.9	41.1	41.9	-18.7	0	0	0	120.6
679	T	37.7	Very low	40.5	Very low	130 Å²	130	131.1 Å²	131.1	80%	0.798	78%	0.782	S	S	*	*			trans	-57.8	154.4	-179.8	38.5	0	0	0	0	117.4
680	Y	41.4	Very low	40.5	Very low	225 Å²	225	134.7 Å²	134.7	88%	0.882	78%	0.779	S	S	*	*			trans	-128.6	151.3	142.4	-144.8	-96.5	0	0	0	111.1
681	H	40.8	Very low	41.2	Very low	147 Å²	147	137.1 Å²	137.1	68%	0.681	78%	0.779	S	S	*	*			trans	-120	143.3	-164.6	-161	-87.7	0	0	0	108.9
682	Q	41.1	Very low	42	Very low	183 Å²	183	140.2 Å²	140.2	86%	0.855	80%	0.802	S	S	*	*			trans	-175.4	155	132.7	-102.5	167.6	16.1	0	0	112.9
683	S	38.3	Very low	42.2	Very low	90 Å²	90	144.5 Å²	144.5	63%	0.629	81%	0.814	S	S	*	*			trans	-120.6	170.6	-163.9	32.9	0	0	0	0	111.2
684	I	42.1	Very low	42.4	Very low	155 Å²	155	145.9 Å²	145.9	80%	0.795	81%	0.813	S	S	*	*			trans	165.7	99.1	146.4	-86.3	152.5	0	0	0	106.7
685	T	42.1	Very low	42.6	Very low	132 Å²	132	147.3 Å²	147.3	81%	0.81	81%	0.812	S	S	*	*				94.4	130.1	89.1	-52.8	0	0	0	0	112.9
686	A	39.7	Very low	42.8	Very low	84 Å²	84	152 Å²	152	69%	0.694	82%	0.818	S	S	*	*			trans	-90.6	-157	-178.7	0	0	0	0	0	110.7
687	P	50.6	Low	43	Very low	109 Å²	109	150.8 Å²	150.8	71%	0.708	81%	0.812	S	S	*	*			cis	-141.5	-174.8	-6.7	40.2	-19.5	0	0	0	116.6
688	H	44.1	Very low	43.4	Very low	155 Å²	155	151.8 Å²	151.8	72%	0.718	81%	0.811	S	S	*	*			trans	59.9	121	146.1	-100.7	-97	0	0	0	121.5
689	N	49.1	Very low	43.6	Very low	155 Å²	155	154 Å²	154	83%	0.829	81%	0.812	S	S	*	*				-159.3	152.5	106.6	-120.9	-19.2	0	0	0	114.4
690	R	41.8	Very low	44	Very low	202 Å²	202	155.8 Å²	155.8	76%	0.762	81%	0.814	S	S	*	*			trans	-94.6	162.9	168.2	-65.7	175.9	175.8	164.8	-2.6	109.4
691	F	49.1	Very low	44.3	Very low	194 Å²	194	150.1 Å²	150.1	85%	0.851	81%	0.808	S	S	*	*				-178.8	147.7	112	-106.3	-74.8	0	0	0	112.1
692	S	52.3	Low	44.6	Very low	195 Å²	195	150.4 Å²	150.4	100%	1.364	82%	0.819	S	S	*	*			trans	72.5	0	177.5	-54.6	0	0	0	0	116.5

Retrieved 692 of 692 residues in 316.5 ms (Link to these results)

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