A0A096NQL0_PAPAN Loading...

CDKN2A interacting protein

AlphaFold DB , UniProt , Accession A0A096NQL0, Species PAPAN (Papio anubis, Olive baboon), Gene CDKN2AIP, Length 580 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.5	Low	74.9	Confident	99 Å²	99	87.5 Å²	87.5	49%	0.488	46%	0.459	S	S	.	.				0	-83.4	0	-153.8	162.6	-81.2	0	0	111.5	Q3 E4 V5 D37 I107	M1-Q3 PolarHBondContact O-N 3.41Å; M1-E4 WeakPolarHBondContact CA-OE2 3.44Å; M1-E4 PolarHBondContact N-OE2 3.16Å; M1-E4 WeakPolarHBondContact O-CB 3.23Å; M1-E4 PolarHBondContact O-N 2.93Å; M1-V5 WeakPolarHBondContact O-CB 3.26Å; M1-V5 WeakPolarHBondContact O-CG2 3.45Å; M1-V5 PolarHBondContact O-N 3.19Å; M1-D37 WeakPolarHBondContact CG-OD2 3.39Å; M1-I107 HydrophobicContact SD-CG1 4.49Å
2	A	56.8	Low	75.9	Confident	64 Å²	64	84.7 Å²	84.7	53%	0.529	45%	0.445	S	S	.	.	H	α-helix	trans	-59.5	-38.3	-175.6	0	0	0	0	0	115.7	S6	A2-S6 PolarHBondContact O-OG 3.46Å
3	Q	60.5	Low	76.7	Confident	151 Å²	151	85.3 Å²	85.3	71%	0.706	46%	0.457	S	S	*	.	H	α-helix	trans	-71.4	-53.5	173.9	-174	66.4	13.2	0	0	111.3	M1 V5 S6 E7	M1-Q3 PolarHBondContact O-N 3.41Å; Q3-V5 VanDerWaalsContact C-N 3.33Å; Q3-V5 PolarHBondContact O-N 3.29Å; Q3-S6 CarbonylContact O-C 3.58Å; Q3-S6 WeakPolarHBondContact O-CA 3.34Å; Q3-S6 VanDerWaalsContact O-CB 3.32Å; Q3-S6 WeakPolarHBondContact O-CB 3.44Å; Q3-S6 PolarHBondContact O-N 3.08Å; Q3-E7 PolarHBondContact O-N 2.87Å
4	E	74.8	Confident	77.4	Confident	128 Å²	128	92.6 Å²	92.6	60%	0.598	48%	0.475	S	S	*	.	H	α-helix	trans	-49.2	-43.6	175.9	177.3	-176.2	-165.8	0	0	113.7	M1 S6 E7 Y8	M1-E4 WeakPolarHBondContact CA-OE2 3.44Å; M1-E4 PolarHBondContact N-OE2 3.16Å; M1-E4 WeakPolarHBondContact O-CB 3.23Å; M1-E4 PolarHBondContact O-N 2.93Å; E4-S6 VanDerWaalsContact C-N 3.34Å; E4-S6 PolarHBondContact O-N 3Å; E4-E7 PolarHBondContact O-N 3.24Å; E4-Y8 WeakPolarHBondContact O-CB 3.32Å; E4-Y8 PolarHBondContact O-N 3Å
5	V	78.9	Confident	78.1	Confident	21 Å²	21	86.9 Å²	86.9	13%	0.127	45%	0.447	C	S	.	.	H	α-helix	trans	-64.1	-38.9	172.9	167.5	0	0	0	0	111.6	M1 Q3 L9 D37 L40	M1-V5 WeakPolarHBondContact O-CB 3.26Å; M1-V5 WeakPolarHBondContact O-CG2 3.45Å; M1-V5 PolarHBondContact O-N 3.19Å; Q3-V5 VanDerWaalsContact C-N 3.33Å; Q3-V5 PolarHBondContact O-N 3.29Å; V5-L9 HydrophobicContact CG1-CD1 4.41Å; V5-L9 WeakPolarHBondContact O-CB 3.32Å; V5-L9 VanDerWaalsContact O-CG 3.26Å; V5-L9 WeakPolarHBondContact O-CG 3.35Å; V5-L9 PolarHBondContact O-N 3.48Å; V5-D37 WeakPolarHBondContact CG2-OD1 3.36Å; V5-L40 HydrophobicContact CG1-CD1 3.7Å
6	S	78.1	Confident	78.7	Confident	56 Å²	56	83.2 Å²	83.2	39%	0.392	43%	0.433	S	S	.	.	H	α-helix	trans	-72.3	-32.6	-179	-53.8	0	0	0	0	111.8	A2 Q3 E4 S10	A2-S6 PolarHBondContact O-OG 3.46Å; Q3-S6 CarbonylContact O-C 3.58Å; Q3-S6 WeakPolarHBondContact O-CA 3.34Å; Q3-S6 VanDerWaalsContact O-CB 3.32Å; Q3-S6 WeakPolarHBondContact O-CB 3.44Å; Q3-S6 PolarHBondContact O-N 3.08Å; E4-S6 VanDerWaalsContact C-N 3.34Å; E4-S6 PolarHBondContact O-N 3Å; S6-S10 PolarHBondContact O-N 2.85Å
7	E	83.6	Confident	79.2	Confident	103 Å²	103	82.3 Å²	82.3	48%	0.481	44%	0.44	S	S	.	.	H	α-helix	trans	-73	-44.8	172.4	-178.5	173.4	-178.8	0	0	112.3	Q3 E4 L9 S10 Q11	Q3-E7 PolarHBondContact O-N 2.87Å; E4-E7 PolarHBondContact O-N 3.24Å; E7-L9 PolarHBondContact O-N 2.97Å; E7-S10 PolarHBondContact O-N 3.43Å; E7-S10 VanDerWaalsContact O-N 3.16Å; E7-S10 PolarHBondContact O-OG 2.92Å; E7-Q11 WeakPolarHBondContact O-CG 3.42Å; E7-Q11 PolarHBondContact O-N 3.42Å; E7-Q11 VanDerWaalsContact O-N 3.08Å
8	Y	83.5	Confident	80	Confident	105 Å²	105	80 Å²	80	41%	0.412	42%	0.424	S	S	.	.	H	α-helix	trans	-56.7	-40.5	173.1	174.7	-99.1	0	0	0	111.9	E4 Q11 N12 V15 L40	E4-Y8 WeakPolarHBondContact O-CB 3.32Å; E4-Y8 PolarHBondContact O-N 3Å; Y8-Q11 PolarHBondContact O-N 3.49Å; Y8-N12 WeakPolarHBondContact CE2-ND2 3.42Å; Y8-N12 WeakPolarHBondContact O-CB 3.33Å; Y8-N12 PolarHBondContact O-N 2.86Å; Y8-N12 PolarHBondContact O-ND2 3.31Å; Y8-V15 HydrophobicContact CE1-CG1 4.15Å; Y8-L40 HydrophobicContact CE1-CD2 4.45Å
9	L	84.9	Confident	80.7	Confident	17 Å²	17	75.8 Å²	75.8	9%	0.089	40%	0.402	C	S	.	.	H	α-helix	trans	-72.4	-30	177.8	-71.1	-174.1	0	0	0	114	V5 E7 N12 V15 A16 V19 L40	V5-L9 HydrophobicContact CG1-CD1 4.41Å; V5-L9 WeakPolarHBondContact O-CB 3.32Å; V5-L9 VanDerWaalsContact O-CG 3.26Å; V5-L9 WeakPolarHBondContact O-CG 3.35Å; V5-L9 PolarHBondContact O-N 3.48Å; E7-L9 PolarHBondContact O-N 2.97Å; L9-N12 CarbonylContact O-C 3.46Å; L9-N12 PolarHBondContact O-N 3.06Å; L9-V15 HydrophobicContact CD2-CG1 4.35Å; L9-A16 HydrophobicContact CB-CB 4.08Å; L9-A16 HydrophobicContact CD2-CB 4.06Å; L9-A16 HydrophobicContact CG-CB 4.5Å; L9-V19 HydrophobicContact CD1-CG1 4.2Å; L9-V19 HydrophobicContact CD2-CG1 4.21Å; L9-L40 HydrophobicContact CD1-CD1 4.1Å; L9-L40 HydrophobicContact CD2-CD1 3.89Å; L9-L40 HydrophobicContact CD2-CD2 3.98Å; L9-L40 HydrophobicContact CG-CD1 4.09Å
10	S	80.2	Confident	81.2	Confident	92 Å²	92	75.7 Å²	75.7	64%	0.643	40%	0.399	S	S	*	.	H	α-helix	trans	-72.1	-32.8	173.6	69	0	0	0	0	111.9	S6 E7	S6-S10 PolarHBondContact O-N 2.85Å; E7-S10 PolarHBondContact O-N 3.43Å; E7-S10 VanDerWaalsContact O-N 3.16Å; E7-S10 PolarHBondContact O-OG 2.92Å
11	Q	86.7	Confident	81.8	Confident	126 Å²	126	76 Å²	76	59%	0.589	41%	0.412	S	S	*	.	H	α-helix	trans	-72	-29.2	171.8	-64.4	173.1	14.3	0	0	112.8	E7 Y8 P13	E7-Q11 WeakPolarHBondContact O-CG 3.42Å; E7-Q11 PolarHBondContact O-N 3.42Å; E7-Q11 VanDerWaalsContact O-N 3.08Å; Y8-Q11 PolarHBondContact O-N 3.49Å; Q11-P13 VanDerWaalsContact C-CD 3.47Å; Q11-P13 VanDerWaalsContact O-CD 3.23Å; Q11-P13 WeakPolarHBondContact O-CD 3.41Å
12	N	87	Confident	83.5	Confident	54 Å²	54	72.6 Å²	72.6	29%	0.289	40%	0.396	S	S	.	.			trans	-118.9	69.3	-173.5	-66.9	-88.4	0	0	0	112.9	Y8 L9 R14 V15 A16	Y8-N12 WeakPolarHBondContact CE2-ND2 3.42Å; Y8-N12 WeakPolarHBondContact O-CB 3.33Å; Y8-N12 PolarHBondContact O-N 2.86Å; Y8-N12 PolarHBondContact O-ND2 3.31Å; L9-N12 CarbonylContact O-C 3.46Å; L9-N12 PolarHBondContact O-N 3.06Å; N12-R14 VanDerWaalsContact C-N 3.26Å; N12-R14 PolarHBondContact O-N 2.83Å; N12-R14 VanDerWaalsContact O-N 3.13Å; N12-V15 HydrophobicContact CB-CB 4.02Å; N12-V15 HydrophobicContact CB-CG2 4.06Å; N12-V15 PolarHBondContact O-N 3Å; N12-A16 PolarHBondContact O-N 2.95Å
13	P	86.1	Confident	85.2	Confident	93 Å²	93	73.3 Å²	73.3	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-61.1	-28.3	-172.9	23	-34.3	0	0	0	114.3	Q11 A17	Q11-P13 VanDerWaalsContact C-CD 3.47Å; Q11-P13 VanDerWaalsContact O-CD 3.23Å; Q11-P13 WeakPolarHBondContact O-CD 3.41Å; P13-A17 WeakPolarHBondContact O-CB 3.21Å; P13-A17 PolarHBondContact O-N 3.15Å
14	R	86.1	Confident	86.5	Confident	188 Å²	188	68.8 Å²	68.8	71%	0.709	37%	0.37	S	S	*	.	H	α-helix	trans	-66.7	-41.2	172.8	-71.1	-174.3	177.3	-172.2	-0.3	112.4	N12 W18	N12-R14 VanDerWaalsContact C-N 3.26Å; N12-R14 PolarHBondContact O-N 2.83Å; N12-R14 VanDerWaalsContact O-N 3.13Å; R14-W18 VanDerWaalsContact O-CB 3.32Å; R14-W18 WeakPolarHBondContact O-CB 3.15Å; R14-W18 PolarHBondContact O-N 3.28Å
15	V	87.9	Confident	86.7	Confident	7 Å²	7	69.1 Å²	69.1	4%	0.042	38%	0.375	C	S	.	.	H	α-helix	trans	-72.9	-34.6	177.7	-175.1	0	0	0	0	110.3	Y8 L9 N12 W18 V19 L40	Y8-V15 HydrophobicContact CE1-CG1 4.15Å; L9-V15 HydrophobicContact CD2-CG1 4.35Å; N12-V15 HydrophobicContact CB-CB 4.02Å; N12-V15 HydrophobicContact CB-CG2 4.06Å; N12-V15 PolarHBondContact O-N 3Å; V15-W18 HydrophobicContact CG1-CE3 4.19Å; V15-W18 PolarHBondContact O-N 3.28Å; V15-V19 WeakPolarHBondContact O-CB 3.31Å; V15-V19 WeakPolarHBondContact O-CG1 3.37Å; V15-V19 PolarHBondContact O-N 2.63Å; V15-L40 HydrophobicContact CG1-CD2 3.6Å
16	A	87.2	Confident	86.9	Confident	27 Å²	27	71.9 Å²	71.9	22%	0.223	41%	0.408	C	S	.	.	H	α-helix	trans	-62.1	-49.5	172.1	0	0	0	0	0	112.6	L9 N12 W18 V19 E20	L9-A16 HydrophobicContact CB-CB 4.08Å; L9-A16 HydrophobicContact CD2-CB 4.06Å; L9-A16 HydrophobicContact CG-CB 4.5Å; N12-A16 PolarHBondContact O-N 2.95Å; A16-W18 VanDerWaalsContact C-N 3.34Å; A16-W18 PolarHBondContact O-N 2.96Å; A16-V19 PolarHBondContact O-N 3.13Å; A16-E20 WeakPolarHBondContact O-CB 3.26Å; A16-E20 PolarHBondContact O-N 2.9Å
17	A	88.6	Confident	87.4	Confident	68 Å²	68	70.3 Å²	70.3	56%	0.562	40%	0.395	S	S	*	.	H	α-helix	trans	-62.8	-40.4	176.2	0	0	0	0	0	112.2	P13 A21	P13-A17 WeakPolarHBondContact O-CB 3.21Å; P13-A17 PolarHBondContact O-N 3.15Å; A17-A21 WeakPolarHBondContact O-CB 3.35Å; A17-A21 PolarHBondContact O-N 3.08Å
18	W	92.3	Very high	87.6	Confident	41 Å²	41	69 Å²	69	16%	0.155	39%	0.394	C	S	.	.	H	α-helix	trans	-63	-48.7	175.4	170	82.4	0	0	0	112.4	R14 V15 A16 A21 L22 L40 A43 A47 P48 L72	R14-W18 VanDerWaalsContact O-CB 3.32Å; R14-W18 WeakPolarHBondContact O-CB 3.15Å; R14-W18 PolarHBondContact O-N 3.28Å; V15-W18 HydrophobicContact CG1-CE3 4.19Å; V15-W18 PolarHBondContact O-N 3.28Å; A16-W18 VanDerWaalsContact C-N 3.34Å; A16-W18 PolarHBondContact O-N 2.96Å; W18-A21 WeakPolarHBondContact O-CB 3.48Å; W18-A21 PolarHBondContact O-N 2.9Å; W18-L22 HydrophobicContact CH2-CD1 4.15Å; W18-L22 HydrophobicContact CZ2-CD1 3.96Å; W18-L40 HydrophobicContact CZ3-CD2 4.49Å; W18-A43 HydrophobicContact CH2-CB 3.69Å; W18-A43 HydrophobicContact CZ3-CB 4.09Å; W18-A47 HydrophobicContact CE3-CB 4.44Å; W18-A47 HydrophobicContact CH2-CB 4.34Å; W18-A47 HydrophobicContact CZ3-CB 4.19Å; W18-P48 HydrophobicContact CB-CG 3.74Å; W18-P48 VanDerWaalsContact CG-CD 3.49Å; W18-P48 HydrophobicContact CG-CG 3.89Å; W18-L72 HydrophobicContact CZ2-CD1 3.73Å
19	V	93	Very high	87.8	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-72.5	-39	-176	80.1	0	0	0	0	111.9	L9 V15 A16 A21 L22 W32 R36 L39 L40	L9-V19 HydrophobicContact CD1-CG1 4.2Å; L9-V19 HydrophobicContact CD2-CG1 4.21Å; V15-V19 WeakPolarHBondContact O-CB 3.31Å; V15-V19 WeakPolarHBondContact O-CG1 3.37Å; V15-V19 PolarHBondContact O-N 2.63Å; A16-V19 PolarHBondContact O-N 3.13Å; V19-A21 PolarHBondContact O-N 3.31Å; V19-L22 WeakPolarHBondContact O-CB 3.5Å; V19-L22 PolarHBondContact O-N 2.73Å; V19-W32 HydrophobicContact CG2-CH2 4.11Å; V19-W32 HydrophobicContact CG2-CZ2 4.43Å; V19-W32 WeakPolarHBondContact O-CH2 3.27Å; V19-W32 VanDerWaalsContact O-CZ2 3.31Å; V19-W32 WeakPolarHBondContact O-CZ2 3.45Å; V19-R36 HydrophobicContact CG1-CG 3.87Å; V19-R36 HydrophobicContact CG2-CG 3.84Å; V19-L39 HydrophobicContact CG2-CB 4.05Å; V19-L39 HydrophobicContact CG2-CD1 4.16Å; V19-L40 HydrophobicContact CB-CD2 4.13Å; V19-L40 HydrophobicContact CG1-CD2 4.23Å; V19-L40 HydrophobicContact CG2-CD2 4.14Å; V19-L40 HydrophobicContact CG2-CG 4.17Å
20	E	92.6	Very high	87.8	Confident	74 Å²	74	73.7 Å²	73.7	35%	0.346	42%	0.42	S	S	.	.	H	α-helix	trans	-67	-25.8	176.8	-157.8	71.7	-156.6	0	0	111.6	A16 L22 R23 W32 R36	A16-E20 WeakPolarHBondContact O-CB 3.26Å; A16-E20 PolarHBondContact O-N 2.9Å; E20-L22 PolarHBondContact O-N 3.38Å; E20-R23 WeakPolarHBondContact O-CB 3.48Å; E20-R23 PolarHBondContact O-N 2.98Å; E20-R23 VanDerWaalsContact OE1-CD 3.26Å; E20-R23 WeakPolarHBondContact OE1-CD 3.29Å; E20-R23 IonicContact OE1-CZ 3.49Å; E20-R23 IonicContact OE1-NH1 2.73Å; E20-R23 PolarHBondContact OE1-NH1 2.81Å; E20-R23 VanDerWaalsContact OE1-NH1 3.08Å; E20-W32 PolarHBondContact OE1-NE1 3.44Å; E20-W32 PolarHBondContact OE2-NE1 2.93Å; E20-R36 IonicContact OE2-NH1 3.38Å
21	A	92.1	Very high	88.2	Confident	81 Å²	81	71.2 Å²	71.2	67%	0.669	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-9.1	169.3	0	0	0	0	0	114.4	A17 W18 V19	A17-A21 WeakPolarHBondContact O-CB 3.35Å; A17-A21 PolarHBondContact O-N 3.08Å; W18-A21 WeakPolarHBondContact O-CB 3.48Å; W18-A21 PolarHBondContact O-N 2.9Å; V19-A21 PolarHBondContact O-N 3.31Å
22	L	92.7	Very high	88.5	Confident	29 Å²	29	65.4 Å²	65.4	15%	0.152	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	0.4	172.1	-53.8	-177.3	0	0	0	113.2	W18 V19 E20 R35 L39 L72 I76	W18-L22 HydrophobicContact CH2-CD1 4.15Å; W18-L22 HydrophobicContact CZ2-CD1 3.96Å; V19-L22 WeakPolarHBondContact O-CB 3.5Å; V19-L22 PolarHBondContact O-N 2.73Å; E20-L22 PolarHBondContact O-N 3.38Å; L22-R35 PolarHBondContact O-NH2 3.28Å; L22-L39 HydrophobicContact CB-CD1 4.12Å; L22-L39 HydrophobicContact CD1-CD1 4.25Å; L22-L39 HydrophobicContact CD1-CD2 4.32Å; L22-L72 HydrophobicContact CD1-CD1 4.28Å; L22-I76 HydrophobicContact CD1-CD1 4.37Å; L22-I76 HydrophobicContact CD1-CG1 4.18Å; L22-I76 HydrophobicContact CD2-CD1 3.77Å; L22-I76 HydrophobicContact CD2-CG1 4.37Å
23	R	93.5	Very high	88.7	Confident	79 Å²	79	69.1 Å²	69.1	30%	0.298	38%	0.381	S	S	.	.			trans	-71.7	146.1	174.9	-172.4	176.2	-177.9	161.3	2.5	111	E20 E27 D29 W32	E20-R23 WeakPolarHBondContact O-CB 3.48Å; E20-R23 PolarHBondContact O-N 2.98Å; E20-R23 VanDerWaalsContact OE1-CD 3.26Å; E20-R23 WeakPolarHBondContact OE1-CD 3.29Å; E20-R23 IonicContact OE1-CZ 3.49Å; E20-R23 IonicContact OE1-NH1 2.73Å; E20-R23 PolarHBondContact OE1-NH1 2.81Å; E20-R23 VanDerWaalsContact OE1-NH1 3.08Å; R23-E27 PolarHBondContact NH2-O 3.19Å; R23-D29 IonicContact CZ-OD1 3.6Å; R23-D29 IonicContact NH1-OD1 2.7Å; R23-D29 PolarHBondContact NH1-OD1 3.45Å; R23-D29 IonicContact NH2-OD1 3.57Å; R23-D29 PolarHBondContact NH2-OD1 2.93Å; R23-W32 HydrophobicContact CB-CD2 4Å; R23-W32 HydrophobicContact CB-CE3 4.1Å; R23-W32 HydrophobicContact CB-CH2 4.13Å; R23-W32 HydrophobicContact CB-CZ2 3.99Å; R23-W32 HydrophobicContact CB-CZ3 4.17Å; R23-W32 HydrophobicContact CG-CD2 3.74Å; R23-W32 HydrophobicContact CG-CE3 4.03Å; R23-W32 HydrophobicContact CG-CG 3.97Å; R23-W32 VanDerWaalsContact NH1-CD1 3.31Å
24	C	87.6	Confident	89	Confident	56 Å²	56	66.4 Å²	66.4	38%	0.378	36%	0.36	S	S	.	.			trans	-100.9	142	178	-61.9	0	0	0	0	112.7	G26 E27 M80	C24-G26 PolarHBondContact O-N 2.79Å; C24-G26 VanDerWaalsContact O-N 3.12Å; C24-E27 HydrophobicContact CB-CB 4.4Å; C24-E27 PolarHBondContact N-OE2 3.29Å; C24-E27 VanDerWaalsContact O-CB 3.27Å; C24-E27 WeakPolarHBondContact O-CB 3.36Å; C24-E27 PolarHBondContact O-N 2.98Å; C24-M80 HydrophobicContact CB-CE 4.4Å; C24-M80 VanDerWaalsContact SG-CE 3.57Å
25	D	78.8	Confident	89.4	Confident	134 Å²	134	57.4 Å²	57.4	72%	0.717	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	113.6	169.8	-77.5	-5.1	0	0	0	110.6	K427	D25-K427 IonicContact OD2-NZ 3.08Å; D25-K427 PolarHBondContact OD2-NZ 3.49Å
26	G	82.7	Confident	89.7	Confident	80 Å²	80	59.1 Å²	59.1	83%	0.825	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-2.7	-176.6	0	0	0	0	0	115	C24 T28	C24-G26 PolarHBondContact O-N 2.79Å; C24-G26 VanDerWaalsContact O-N 3.12Å; G26-T28 PolarHBondContact O-N 2.96Å
27	E	87.6	Confident	89.9	Confident	22 Å²	22	58.7 Å²	58.7	10%	0.103	33%	0.326	C	S	.	.			trans	-76.2	114.2	174.6	-169	175.4	-174.6	0	0	111.7	R23 C24 H31 W32 R35	R23-E27 PolarHBondContact NH2-O 3.19Å; C24-E27 HydrophobicContact CB-CB 4.4Å; C24-E27 PolarHBondContact N-OE2 3.29Å; C24-E27 VanDerWaalsContact O-CB 3.27Å; C24-E27 WeakPolarHBondContact O-CB 3.36Å; C24-E27 PolarHBondContact O-N 2.98Å; E27-H31 HydrophobicContact CG-CB 3.66Å; E27-W32 HydrophobicContact CG-CB 4.03Å; E27-W32 WeakPolarHBondContact OE1-CA 3.32Å; E27-R35 WeakPolarHBondContact OE1-CD 3.11Å; E27-R35 IonicContact OE1-CZ 2.66Å; E27-R35 IonicContact OE1-NE 2.7Å; E27-R35 PolarHBondContact OE1-NE 3.04Å; E27-R35 IonicContact OE1-NH2 3.4Å; E27-R35 IonicContact OE2-CZ 3.26Å; E27-R35 IonicContact OE2-NE 2.84Å; E27-R35 PolarHBondContact OE2-NE 3.18Å; E27-R35 IonicContact OE2-NH2 3.96Å; E27-R35 PolarHBondContact OE2-NH2 3.37Å
28	T	88.1	Confident	90.2	Very high	75 Å²	75	55.5 Å²	55.5	46%	0.46	30%	0.299	S	S	.	.			trans	-67.3	151.7	-178.4	74.8	0	0	0	0	111.8	G26 K30 H31 W32	G26-T28 PolarHBondContact O-N 2.96Å; T28-K30 PolarHBondContact O-N 3.21Å; T28-H31 WeakPolarHBondContact O-CA 3.45Å; T28-H31 WeakPolarHBondContact O-CB 3.48Å; T28-H31 PolarHBondContact O-N 3.32Å; T28-H31 PolarHBondContact OG1-ND1 2.87Å; T28-W32 PolarHBondContact O-N 2.93Å
29	D	88.1	Confident	90.3	Very high	95 Å²	95	53.5 Å²	53.5	51%	0.508	29%	0.292	S	S	.	.	H	α-helix	trans	-64.5	-15.9	-176.4	-53.8	-72.6	0	0	0	114.3	R23 R33	R23-D29 IonicContact CZ-OD1 3.6Å; R23-D29 IonicContact NH1-OD1 2.7Å; R23-D29 PolarHBondContact NH1-OD1 3.45Å; R23-D29 IonicContact NH2-OD1 3.57Å; R23-D29 PolarHBondContact NH2-OD1 2.93Å; D29-R33 WeakPolarHBondContact O-CB 3.49Å; D29-R33 PolarHBondContact O-N 2.55Å; D29-R33 PolarHBondContact O-NH1 2.66Å
30	K	85.5	Confident	90.2	Very high	126 Å²	126	54.8 Å²	54.8	55%	0.548	30%	0.298	S	S	.	.	H	α-helix	trans	-72.8	-45.4	167.9	-75.2	-167.5	177.8	-175.3	0	111.7	T28 H34 D111	T28-K30 PolarHBondContact O-N 3.21Å; K30-H34 PolarHBondContact O-ND1 3.16Å; K30-D111 IonicContact NZ-OD2 3.98Å; K30-D111 PolarHBondContact NZ-OD2 3.43Å
31	H	88.6	Confident	90.1	Very high	40 Å²	40	56 Å²	56	19%	0.185	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-56.2	172.6	-71.3	95.1	0	0	0	110.3	E27 T28 R33 H34 R35 F87 L88	E27-H31 HydrophobicContact CG-CB 3.66Å; T28-H31 WeakPolarHBondContact O-CA 3.45Å; T28-H31 WeakPolarHBondContact O-CB 3.48Å; T28-H31 PolarHBondContact O-N 3.32Å; T28-H31 PolarHBondContact OG1-ND1 2.87Å; H31-R33 VanDerWaalsContact C-N 3.35Å; H31-R33 PolarHBondContact O-N 3.3Å; H31-H34 PolarHBondContact O-N 2.63Å; H31-R35 PolarHBondContact O-N 2.9Å; H31-F87 VanDerWaalsContact CD2-CB 3.43Å; H31-F87 WeakPolarHBondContact CD2-CB 3.47Å; H31-F87 AromaticContact CD2-CD2 3.69Å; H31-F87 AromaticContact CD2-CG 3.7Å; H31-F87 WeakPolarHBondContact NE2-CB 3.27Å; H31-F87 AromaticContact NE2-CG 3.9Å; H31-L88 WeakPolarHBondContact NE2-CD1 3.14Å
32	W	92.8	Very high	90.1	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.019	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-43.1	-169.1	177.3	-126.6	0	0	0	112.6	V19 E20 R23 E27 T28 H34 R35 R36 L39	V19-W32 HydrophobicContact CG2-CH2 4.11Å; V19-W32 HydrophobicContact CG2-CZ2 4.43Å; V19-W32 WeakPolarHBondContact O-CH2 3.27Å; V19-W32 VanDerWaalsContact O-CZ2 3.31Å; V19-W32 WeakPolarHBondContact O-CZ2 3.45Å; E20-W32 PolarHBondContact OE1-NE1 3.44Å; E20-W32 PolarHBondContact OE2-NE1 2.93Å; R23-W32 HydrophobicContact CB-CD2 4Å; R23-W32 HydrophobicContact CB-CE3 4.1Å; R23-W32 HydrophobicContact CB-CH2 4.13Å; R23-W32 HydrophobicContact CB-CZ2 3.99Å; R23-W32 HydrophobicContact CB-CZ3 4.17Å; R23-W32 HydrophobicContact CG-CD2 3.74Å; R23-W32 HydrophobicContact CG-CE3 4.03Å; R23-W32 HydrophobicContact CG-CG 3.97Å; R23-W32 VanDerWaalsContact NH1-CD1 3.31Å; E27-W32 HydrophobicContact CG-CB 4.03Å; E27-W32 WeakPolarHBondContact OE1-CA 3.32Å; T28-W32 PolarHBondContact O-N 2.93Å; W32-H34 PolarHBondContact O-N 2.98Å; W32-R35 HydrophobicContact CE3-CB 4.33Å; W32-R35 PolarHBondContact O-N 2.92Å; W32-R36 HydrophobicContact CD2-CB 4.21Å; W32-R36 HydrophobicContact CE3-CB 4.39Å; W32-R36 HydrophobicContact CH2-CB 4.01Å; W32-R36 HydrophobicContact CH2-CG 4.16Å; W32-R36 HydrophobicContact CZ2-CB 3.82Å; W32-R36 HydrophobicContact CZ2-CG 3.75Å; W32-R36 HydrophobicContact CZ3-CB 4.3Å; W32-R36 WeakPolarHBondContact O-CB 3.45Å; W32-R36 PolarHBondContact O-N 2.91Å; W32-L39 HydrophobicContact CH2-CD1 3.85Å; W32-L39 HydrophobicContact CZ3-CD1 3.78Å
33	R	91.1	Very high	89.9	Confident	131 Å²	131	53 Å²	53	49%	0.494	27%	0.274	S	S	.	.	H	α-helix	trans	-53.6	-39.1	177.2	175	178.4	-81.4	95.3	-8.6	113	D29 H31	D29-R33 WeakPolarHBondContact O-CB 3.49Å; D29-R33 PolarHBondContact O-N 2.55Å; D29-R33 PolarHBondContact O-NH1 2.66Å; H31-R33 VanDerWaalsContact C-N 3.35Å; H31-R33 PolarHBondContact O-N 3.3Å
34	H	91.9	Very high	89.5	Confident	36 Å²	36	52.1 Å²	52.1	17%	0.167	29%	0.288	C	S	.	.	H	α-helix	trans	-86.9	-35.7	-179.9	-61.8	100.2	0	0	0	112.4	K30 H31 W32 R36 D37 F38 W82 F87 V109	K30-H34 PolarHBondContact O-ND1 3.16Å; H31-H34 PolarHBondContact O-N 2.63Å; W32-H34 PolarHBondContact O-N 2.98Å; H34-R36 VanDerWaalsContact C-N 3.33Å; H34-D37 WeakPolarHBondContact O-CB 3.44Å; H34-D37 PolarHBondContact O-N 3.12Å; H34-F38 PolarHBondContact O-N 2.88Å; H34-W82 HydrophobicContact CB-CH2 3.97Å; H34-W82 HydrophobicContact CB-CZ3 3.98Å; H34-F87 HydrophobicContact CB-CE2 4.12Å; H34-F87 HydrophobicContact CB-CZ 4.11Å; H34-F87 AromaticContact CG-CZ 3.94Å; H34-F87 AromaticContact ND1-CZ 3.55Å; H34-V109 HydrophobicContact CB-CG2 4.38Å
35	R	94.3	Very high	89.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67.4	-34.5	175.1	-163.9	171.3	71.1	91.2	-4.4	111.9	L22 E27 H31 W32 F38 L39 S79 A83	L22-R35 PolarHBondContact O-NH2 3.28Å; E27-R35 WeakPolarHBondContact OE1-CD 3.11Å; E27-R35 IonicContact OE1-CZ 2.66Å; E27-R35 IonicContact OE1-NE 2.7Å; E27-R35 PolarHBondContact OE1-NE 3.04Å; E27-R35 IonicContact OE1-NH2 3.4Å; E27-R35 IonicContact OE2-CZ 3.26Å; E27-R35 IonicContact OE2-NE 2.84Å; E27-R35 PolarHBondContact OE2-NE 3.18Å; E27-R35 IonicContact OE2-NH2 3.96Å; E27-R35 PolarHBondContact OE2-NH2 3.37Å; H31-R35 PolarHBondContact O-N 2.9Å; W32-R35 HydrophobicContact CE3-CB 4.33Å; W32-R35 PolarHBondContact O-N 2.92Å; R35-F38 PolarHBondContact O-N 2.88Å; R35-L39 WeakPolarHBondContact O-CB 3.5Å; R35-L39 VanDerWaalsContact O-CG 3.28Å; R35-L39 WeakPolarHBondContact O-CG 3.34Å; R35-L39 PolarHBondContact O-N 2.7Å; R35-S79 WeakPolarHBondContact CD-O 3.44Å; R35-S79 WeakPolarHBondContact CD-OG 3.14Å; R35-S79 PolarHBondContact NH1-OG 3.45Å; R35-A83 HydrophobicContact CB-CB 4.46Å; R35-A83 HydrophobicContact CG-CB 4.41Å
36	R	94.1	Very high	89.6	Confident	43 Å²	43	51.1 Å²	51.1	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-40.6	172.4	-169.6	176.7	73.3	-178.2	7.2	112.4	V19 E20 W32 H34 L39 L40	V19-R36 HydrophobicContact CG1-CG 3.87Å; V19-R36 HydrophobicContact CG2-CG 3.84Å; E20-R36 IonicContact OE2-NH1 3.38Å; W32-R36 HydrophobicContact CD2-CB 4.21Å; W32-R36 HydrophobicContact CE3-CB 4.39Å; W32-R36 HydrophobicContact CH2-CB 4.01Å; W32-R36 HydrophobicContact CH2-CG 4.16Å; W32-R36 HydrophobicContact CZ2-CB 3.82Å; W32-R36 HydrophobicContact CZ2-CG 3.75Å; W32-R36 HydrophobicContact CZ3-CB 4.3Å; W32-R36 WeakPolarHBondContact O-CB 3.45Å; W32-R36 PolarHBondContact O-N 2.91Å; H34-R36 VanDerWaalsContact C-N 3.33Å; R36-L39 PolarHBondContact O-N 3.24Å; R36-L40 HydrophobicContact CG-CD1 4.08Å; R36-L40 WeakPolarHBondContact O-CB 3.28Å; R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.5Å; R36-L40 PolarHBondContact O-N 3.04Å
37	D	92.5	Very high	89.6	Confident	18 Å²	18	47.9 Å²	47.9	10%	0.096	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-48.1	174.4	-165	11.6	0	0	0	110.8	M1 V5 H34 L39 L40 R41 I107	M1-D37 WeakPolarHBondContact CG-OD2 3.39Å; V5-D37 WeakPolarHBondContact CG2-OD1 3.36Å; H34-D37 WeakPolarHBondContact O-CB 3.44Å; H34-D37 PolarHBondContact O-N 3.12Å; D37-L39 VanDerWaalsContact C-N 3.35Å; D37-L39 PolarHBondContact O-N 2.81Å; D37-L40 PolarHBondContact O-N 2.77Å; D37-R41 WeakPolarHBondContact O-CB 3.46Å; D37-R41 PolarHBondContact O-N 3.43Å; D37-I107 HydrophobicContact CB-CD1 4.49Å
38	F	94.6	Very high	89	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56	-45.9	172.3	-175.3	-74.6	0	0	0	112.4	H34 R35 N42 L75 F78 S79 W82 M103 A104 I107	H34-F38 PolarHBondContact O-N 2.88Å; R35-F38 PolarHBondContact O-N 2.88Å; F38-N42 WeakPolarHBondContact O-CB 3.37Å; F38-N42 PolarHBondContact O-N 3.06Å; F38-N42 PolarHBondContact O-ND2 3.35Å; F38-L75 HydrophobicContact CD1-CD1 4.45Å; F38-L75 HydrophobicContact CE1-CD1 4.06Å; F38-F78 HydrophobicContact CE1-CB 4.23Å; F38-F78 HydrophobicContact CZ-CB 4.2Å; F38-S79 VanDerWaalsContact CD1-CB 3.48Å; F38-W82 HydrophobicContact CB-CE3 4.15Å; F38-W82 HydrophobicContact CB-CZ3 4.28Å; F38-W82 HydrophobicContact CD2-CB 4.21Å; F38-W82 AromaticContact CD2-CD2 3.81Å; F38-W82 HydrophobicContact CD2-CD2 3.81Å; F38-W82 AromaticContact CD2-CE3 3.9Å; F38-W82 HydrophobicContact CD2-CE3 3.9Å; F38-W82 AromaticContact CD2-CG 3.93Å; F38-W82 HydrophobicContact CD2-CG 3.93Å; F38-W82 HydrophobicContact CE2-CB 3.9Å; F38-W82 HydrophobicContact CE2-CD2 4.28Å; F38-W82 AromaticContact CE2-CG 3.89Å; F38-W82 HydrophobicContact CE2-CG 3.89Å; F38-W82 HydrophobicContact CG-CE3 4.26Å; F38-W82 HydrophobicContact CZ-CB 4.42Å; F38-M103 HydrophobicContact CE1-CE 4.13Å; F38-M103 HydrophobicContact CE2-CB 3.8Å; F38-M103 HydrophobicContact CZ-CB 3.58Å; F38-M103 HydrophobicContact CZ-CE 4.1Å; F38-A104 HydrophobicContact CD2-CB 3.96Å; F38-A104 HydrophobicContact CE2-CB 3.94Å; F38-I107 HydrophobicContact CB-CD1 3.88Å; F38-I107 HydrophobicContact CD2-CD1 4.36Å
39	L	94.4	Very high	87.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-52	179.5	-77.2	169	0	0	0	111.8	V19 L22 W32 R35 R36 D37 R41 N42 A43 L75 I76	V19-L39 HydrophobicContact CG2-CB 4.05Å; V19-L39 HydrophobicContact CG2-CD1 4.16Å; L22-L39 HydrophobicContact CB-CD1 4.12Å; L22-L39 HydrophobicContact CD1-CD1 4.25Å; L22-L39 HydrophobicContact CD1-CD2 4.32Å; W32-L39 HydrophobicContact CH2-CD1 3.85Å; W32-L39 HydrophobicContact CZ3-CD1 3.78Å; R35-L39 WeakPolarHBondContact O-CB 3.5Å; R35-L39 VanDerWaalsContact O-CG 3.28Å; R35-L39 WeakPolarHBondContact O-CG 3.34Å; R35-L39 PolarHBondContact O-N 2.7Å; R36-L39 PolarHBondContact O-N 3.24Å; D37-L39 VanDerWaalsContact C-N 3.35Å; D37-L39 PolarHBondContact O-N 2.81Å; L39-R41 PolarHBondContact O-N 3.24Å; L39-N42 CarbonylContact O-C 3.57Å; L39-N42 PolarHBondContact O-N 3.32Å; L39-A43 WeakPolarHBondContact O-CB 3.25Å; L39-A43 PolarHBondContact O-N 3.16Å; L39-L75 HydrophobicContact CD2-CG 4.05Å; L39-I76 HydrophobicContact CD2-CG1 4.38Å
40	L	91.5	Very high	86	Confident	26 Å²	26	48.7 Å²	48.7	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-45.3	-177.4	-70.1	167	0	0	0	111.7	V5 Y8 L9 V15 W18 V19 R36 D37 N42 A43	V5-L40 HydrophobicContact CG1-CD1 3.7Å; Y8-L40 HydrophobicContact CE1-CD2 4.45Å; L9-L40 HydrophobicContact CD1-CD1 4.1Å; L9-L40 HydrophobicContact CD2-CD1 3.89Å; L9-L40 HydrophobicContact CD2-CD2 3.98Å; L9-L40 HydrophobicContact CG-CD1 4.09Å; V15-L40 HydrophobicContact CG1-CD2 3.6Å; W18-L40 HydrophobicContact CZ3-CD2 4.49Å; V19-L40 HydrophobicContact CB-CD2 4.13Å; V19-L40 HydrophobicContact CG1-CD2 4.23Å; V19-L40 HydrophobicContact CG2-CD2 4.14Å; V19-L40 HydrophobicContact CG2-CG 4.17Å; R36-L40 HydrophobicContact CG-CD1 4.08Å; R36-L40 WeakPolarHBondContact O-CB 3.28Å; R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.5Å; R36-L40 PolarHBondContact O-N 3.04Å; D37-L40 PolarHBondContact O-N 2.77Å; L40-N42 VanDerWaalsContact C-N 3.27Å; L40-N42 PolarHBondContact O-N 3.18Å; L40-A43 WeakPolarHBondContact O-CB 3.23Å; L40-A43 PolarHBondContact O-N 3.36Å
41	R	90.3	Very high	83.8	Confident	100 Å²	100	45.6 Å²	45.6	38%	0.377	28%	0.284	S	S	.	.	H	α-helix	trans	-66.8	-26.9	-178	-157.7	-167.2	81.5	-177.6	26	113.8	D37 L39 M103 A104 E105	D37-R41 WeakPolarHBondContact O-CB 3.46Å; D37-R41 PolarHBondContact O-N 3.43Å; L39-R41 PolarHBondContact O-N 3.24Å; R41-M103 PolarHBondContact NH2-O 2.89Å; R41-A104 PolarHBondContact NH1-O 2.97Å; R41-A104 VanDerWaalsContact NH1-O 3.16Å; R41-E105 PolarHBondContact NH1-O 3.48Å; R41-E105 PolarHBondContact NH2-O 2.92Å
42	N	91.7	Very high	81.7	Confident	42 Å²	42	49.2 Å²	49.2	23%	0.225	32%	0.321	C	S	.	.	H	α-helix	trans	-105.4	4.2	179.2	-67.4	-90.8	0	0	0	113	F38 L39 L40 L75 M103	F38-N42 WeakPolarHBondContact O-CB 3.37Å; F38-N42 PolarHBondContact O-N 3.06Å; F38-N42 PolarHBondContact O-ND2 3.35Å; L39-N42 CarbonylContact O-C 3.57Å; L39-N42 PolarHBondContact O-N 3.32Å; L40-N42 VanDerWaalsContact C-N 3.27Å; L40-N42 PolarHBondContact O-N 3.18Å; N42-L75 HydrophobicContact CB-CD1 3.52Å; N42-M103 HydrophobicContact CB-CE 3.89Å; N42-M103 PolarHBondContact ND2-O 3.27Å; N42-M103 WeakPolarHBondContact OD1-CB 3.16Å; N42-M103 WeakPolarHBondContact OD1-CE 3.28Å; N42-M103 PolarHBondContact OD1-O 3.03Å
43	A	87.9	Confident	79.2	Confident	6 Å²	6	53.6 Å²	53.6	5%	0.05	36%	0.358	C	S	.	.	H	α-helix	trans	-68.3	-44.9	-178.6	0	0	0	0	0	112.2	W18 L39 L40 D45 L46 A47	W18-A43 HydrophobicContact CH2-CB 3.69Å; W18-A43 HydrophobicContact CZ3-CB 4.09Å; L39-A43 WeakPolarHBondContact O-CB 3.25Å; L39-A43 PolarHBondContact O-N 3.16Å; L40-A43 WeakPolarHBondContact O-CB 3.23Å; L40-A43 PolarHBondContact O-N 3.36Å; A43-D45 PolarHBondContact O-N 2.89Å; A43-L46 WeakPolarHBondContact O-CB 3.36Å; A43-L46 VanDerWaalsContact O-CG 3.28Å; A43-L46 WeakPolarHBondContact O-CG 3.3Å; A43-L46 PolarHBondContact O-N 3.38Å; A43-A47 HydrophobicContact CB-CB 4.09Å
44	G	86.4	Confident	76.7	Confident	59 Å²	59	52 Å²	52	61%	0.608	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	48.5	-134.2	-171.6	0	0	0	0	0	111.3	L46 A47	G44-L46 PolarHBondContact O-N 3.41Å; G44-L46 VanDerWaalsContact O-N 3.11Å; G44-A47 PolarHBondContact O-N 3.04Å
45	D	83.4	Confident	74.5	Confident	143 Å²	143	55.8 Å²	55.8	77%	0.765	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-65.5	-12	179.9	-52.5	-55.2	0	0	0	114.2	A43 A47 R68	A43-D45 PolarHBondContact O-N 2.89Å; D45-A47 VanDerWaalsContact C-N 3.28Å; D45-A47 PolarHBondContact O-N 3.41Å; D45-R68 PolarHBondContact O-NH1 3.22Å; D45-R68 PolarHBondContact O-NH2 3.27Å
46	L	84.1	Confident	72	Confident	27 Å²	27	59.8 Å²	59.8	14%	0.141	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-68.7	-25.6	178.9	-55.3	176	0	0	0	112.6	A43 G44 R68 Q71 L75	A43-L46 WeakPolarHBondContact O-CB 3.36Å; A43-L46 VanDerWaalsContact O-CG 3.28Å; A43-L46 WeakPolarHBondContact O-CG 3.3Å; A43-L46 PolarHBondContact O-N 3.38Å; G44-L46 PolarHBondContact O-N 3.41Å; G44-L46 VanDerWaalsContact O-N 3.11Å; L46-R68 HydrophobicContact CD2-CG 3.84Å; L46-R68 PolarHBondContact O-NH2 2.94Å; L46-Q71 HydrophobicContact CD1-CB 4.14Å; L46-Q71 HydrophobicContact CD2-CB 3.91Å; L46-L75 HydrophobicContact CD1-CD2 4.05Å
47	A	82.1	Confident	69.5	Low	12 Å²	12	62.6 Å²	62.6	10%	0.099	45%	0.454	C	S	.	.	S	Bend	trans	-64.9	153	171.6	0	0	0	0	0	111.1	W18 A43 G44 D45 A49 R68	W18-A47 HydrophobicContact CE3-CB 4.44Å; W18-A47 HydrophobicContact CH2-CB 4.34Å; W18-A47 HydrophobicContact CZ3-CB 4.19Å; A43-A47 HydrophobicContact CB-CB 4.09Å; G44-A47 PolarHBondContact O-N 3.04Å; D45-A47 VanDerWaalsContact C-N 3.28Å; D45-A47 PolarHBondContact O-N 3.41Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.29Å; A47-R68 PolarHBondContact O-NH2 2.94Å; A47-R68 VanDerWaalsContact O-NH2 3.16Å
48	P	76.4	Confident	67.4	Low	48 Å²	48	69 Å²	69	31%	0.312	49%	0.489	S	S	.	.			trans	-75.4	84.9	174.3	30.8	-34.5	0	0	0	110.5	W18	W18-P48 HydrophobicContact CB-CG 3.74Å; W18-P48 VanDerWaalsContact CG-CD 3.49Å; W18-P48 HydrophobicContact CG-CG 3.89Å
49	A	65.3	Low	65	Low	80 Å²	80	78.2 Å²	78.2	66%	0.661	53%	0.532	S	S	*	.			trans	-59.9	140.5	178.8	0	0	0	0	0	112.5	A47 G51	A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.29Å; A49-G51 VanDerWaalsContact C-N 3.34Å; A49-G51 PolarHBondContact O-N 3.32Å; A49-G51 VanDerWaalsContact O-N 3.15Å
50	G	47.8	Very low	62.8	Low	81 Å²	81	80.8 Å²	80.8	84%	0.835	55%	0.553	S	S	*	*			trans	-85.6	63.8	177.4	0	0	0	0	0	112.9
51	G	39	Very low	61.1	Low	61 Å²	61	82.2 Å²	82.2	63%	0.629	57%	0.568	S	S	*	*			trans	-141.1	137.4	-179.3	0	0	0	0	0	112.9	A49 A53	A49-G51 VanDerWaalsContact C-N 3.34Å; A49-G51 PolarHBondContact O-N 3.32Å; A49-G51 VanDerWaalsContact O-N 3.15Å; G51-A53 PolarHBondContact O-N 3.35Å
52	A	43.8	Very low	59.2	Low	116 Å²	116	84.1 Å²	84.1	96%	0.959	59%	0.586	S	S	*	*			trans	-92.6	69.1	-178.7	0	0	0	0	0	112.1
53	A	41	Very low	57.7	Low	96 Å²	96	85.5 Å²	85.5	79%	0.793	60%	0.603	S	S	*	*			trans	-155	146.6	165.3	0	0	0	0	0	109	G51	G51-A53 PolarHBondContact O-N 3.35Å
54	S	38.3	Very low	56.4	Low	99 Å²	99	92.1 Å²	92.1	69%	0.692	63%	0.633	S	S	*	*			cis	-133.1	135.1	2.3	49.8	0	0	0	0	111.2	S56	S54-S56 PolarHBondContact O-N 3.25Å
55	A	45.5	Very low	55.7	Low	114 Å²	114	92.9 Å²	92.9	94%	0.942	63%	0.629	S	S	*	*			trans	-82.6	106.9	166.8	0	0	0	0	0	109.2
56	S	41.6	Very low	55.4	Low	85 Å²	85	87.2 Å²	87.2	59%	0.594	61%	0.605	S	S	*	*			trans	-158.9	115.6	175.2	55.1	0	0	0	0	112.3	S54	S54-S56 PolarHBondContact O-N 3.25Å
57	T	41.8	Very low	55.5	Low	102 Å²	102	88.7 Å²	88.7	63%	0.626	61%	0.614	S	S	*	*			trans	71.8	86.6	160.7	-38.8	0	0	0	0	116.7	E59 A60	T57-E59 PolarHBondContact O-N 3.36Å; T57-E59 VanDerWaalsContact O-N 3.12Å; T57-A60 PolarHBondContact O-N 3.47Å
58	D	48.3	Very low	55.7	Low	153 Å²	153	93.2 Å²	93.2	82%	0.818	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-19	-176.9	-61.7	-82.6	0	0	0	116.1	A60	D58-A60 PolarHBondContact O-N 3.43Å
59	E	44.5	Very low	56.2	Low	193 Å²	193	95.3 Å²	95.3	90%	0.902	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-5.6	179.4	-75.4	-74.2	104.3	0	0	114.6	T57	T57-E59 PolarHBondContact O-N 3.36Å; T57-E59 VanDerWaalsContact O-N 3.12Å
60	A	48.8	Very low	57.4	Low	53 Å²	53	99 Å²	99	44%	0.438	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.8	-19.6	176.3	0	0	0	0	0	113.7	T57 D58 D62 A63 E64	T57-A60 PolarHBondContact O-N 3.47Å; D58-A60 PolarHBondContact O-N 3.43Å; A60-D62 PolarHBondContact O-N 2.9Å; A60-A63 PolarHBondContact O-N 3.11Å; A60-E64 PolarHBondContact O-N 2.99Å
61	A	54.2	Low	59.6	Low	56 Å²	56	99.7 Å²	99.7	46%	0.463	62%	0.616	S	S	.	*	H	α-helix	trans	-66.3	-32	-165.1	0	0	0	0	0	114.4	S65	A61-S65 WeakPolarHBondContact O-CB 3.35Å; A61-S65 PolarHBondContact O-N 2.77Å
62	D	51.8	Low	62.1	Low	141 Å²	141	98.2 Å²	98.2	75%	0.754	59%	0.594	S	S	*	*	H	α-helix	trans	-68	-47	-178.8	-159.2	-43.4	0	0	0	111.5	A60 E64 S65 G66	A60-D62 PolarHBondContact O-N 2.9Å; D62-E64 PolarHBondContact O-N 3.38Å; D62-S65 PolarHBondContact O-N 3.12Å; D62-G66 PolarHBondContact O-N 3.04Å
63	A	60	Low	64.5	Low	70 Å²	70	97.5 Å²	97.5	58%	0.579	57%	0.57	S	S	*	*	H	α-helix	trans	-65.1	-37.6	179.2	0	0	0	0	0	113	A60 T67	A60-A63 PolarHBondContact O-N 3.11Å; A63-T67 WeakPolarHBondContact O-CB 3.39Å; A63-T67 PolarHBondContact O-N 3.26Å; A63-T67 PolarHBondContact O-OG1 3.21Å
64	E	61.3	Low	67	Low	146 Å²	146	98.2 Å²	98.2	68%	0.682	56%	0.557	S	S	*	*	H	α-helix	trans	-66	-49.2	171.3	-75.5	-113.4	114.8	0	0	111.3	A60 D62 G66 T67 R68	A60-E64 PolarHBondContact O-N 2.99Å; D62-E64 PolarHBondContact O-N 3.38Å; E64-G66 PolarHBondContact O-N 2.63Å; E64-T67 CarbonylContact O-C 3.59Å; E64-T67 WeakPolarHBondContact O-CA 3.44Å; E64-T67 WeakPolarHBondContact O-CB 3.36Å; E64-T67 PolarHBondContact O-N 2.71Å; E64-R68 WeakPolarHBondContact O-CB 3.16Å; E64-R68 PolarHBondContact O-N 3.36Å
65	S	69.8	Low	69.8	Low	74 Å²	74	93.9 Å²	93.9	52%	0.517	53%	0.526	S	S	.	.	H	α-helix	trans	-56.6	-46.6	178.2	-177.7	0	0	0	0	112	A61 D62 T67 R68 N69	A61-S65 WeakPolarHBondContact O-CB 3.35Å; A61-S65 PolarHBondContact O-N 2.77Å; D62-S65 PolarHBondContact O-N 3.12Å; S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 3.47Å; S65-R68 PolarHBondContact O-N 3.26Å; S65-N69 VanDerWaalsContact O-CB 3.31Å; S65-N69 WeakPolarHBondContact O-CB 3.43Å; S65-N69 PolarHBondContact O-N 2.62Å
66	G	78.6	Confident	72.1	Confident	25 Å²	25	89.9 Å²	89.9	26%	0.258	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-30.4	174.5	0	0	0	0	0	113.6	D62 E64 R70	D62-G66 PolarHBondContact O-N 3.04Å; E64-G66 PolarHBondContact O-N 2.63Å; G66-R70 WeakPolarHBondContact O-CG 3.39Å; G66-R70 PolarHBondContact O-N 3.37Å; G66-R70 PolarHBondContact O-NE 3.23Å
67	T	84.9	Confident	74.7	Confident	57 Å²	57	89.3 Å²	89.3	35%	0.35	48%	0.484	S	S	.	.	H	α-helix	trans	-78.4	-45.2	177.3	-58.9	0	0	0	0	112	A63 E64 S65 N69 R70 Q71	A63-T67 WeakPolarHBondContact O-CB 3.39Å; A63-T67 PolarHBondContact O-N 3.26Å; A63-T67 PolarHBondContact O-OG1 3.21Å; E64-T67 CarbonylContact O-C 3.59Å; E64-T67 WeakPolarHBondContact O-CA 3.44Å; E64-T67 WeakPolarHBondContact O-CB 3.36Å; E64-T67 PolarHBondContact O-N 2.71Å; S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 3.47Å; T67-N69 VanDerWaalsContact C-N 3.27Å; T67-N69 PolarHBondContact O-N 2.82Å; T67-R70 WeakPolarHBondContact O-CB 3.42Å; T67-R70 PolarHBondContact O-N 2.9Å; T67-R70 PolarHBondContact OG1-NH2 3.25Å; T67-Q71 WeakPolarHBondContact O-CG 3.4Å; T67-Q71 PolarHBondContact O-N 2.8Å
68	R	85.9	Confident	77.3	Confident	108 Å²	108	86.2 Å²	86.2	41%	0.408	46%	0.463	S	S	.	.	H	α-helix	trans	-56.8	-40.6	171.2	-175.4	-176.6	173.8	97.5	5.4	111.6	D45 L46 A47 E64 S65 Q71 L72	D45-R68 PolarHBondContact O-NH1 3.22Å; D45-R68 PolarHBondContact O-NH2 3.27Å; L46-R68 HydrophobicContact CD2-CG 3.84Å; L46-R68 PolarHBondContact O-NH2 2.94Å; A47-R68 PolarHBondContact O-NH2 2.94Å; A47-R68 VanDerWaalsContact O-NH2 3.16Å; E64-R68 WeakPolarHBondContact O-CB 3.16Å; E64-R68 PolarHBondContact O-N 3.36Å; S65-R68 PolarHBondContact O-N 3.26Å; R68-Q71 PolarHBondContact O-N 2.8Å; R68-L72 WeakPolarHBondContact O-CB 3.48Å; R68-L72 PolarHBondContact O-N 2.78Å
69	N	87.8	Confident	79.5	Confident	91 Å²	91	79 Å²	79	49%	0.487	42%	0.424	S	S	.	.	H	α-helix	trans	-63.1	-47.3	175.1	-167.6	-69.5	0	0	0	111.9	S65 T67 Q71 L72 Q73	S65-N69 VanDerWaalsContact O-CB 3.31Å; S65-N69 WeakPolarHBondContact O-CB 3.43Å; S65-N69 PolarHBondContact O-N 2.62Å; T67-N69 VanDerWaalsContact C-N 3.27Å; T67-N69 PolarHBondContact O-N 2.82Å; N69-Q71 VanDerWaalsContact C-N 3.34Å; N69-Q71 PolarHBondContact O-N 3.32Å; N69-L72 PolarHBondContact O-N 3.02Å; N69-Q73 WeakPolarHBondContact O-CG 3.49Å; N69-Q73 PolarHBondContact O-N 3.1Å
70	R	91.3	Very high	81.9	Confident	157 Å²	157	72.2 Å²	72.2	59%	0.592	39%	0.393	S	S	*	.	H	α-helix	trans	-58	-44	175.2	-75.9	179.9	-71.4	-112.3	1.4	112.4	G66 T67 Q73 Q74	G66-R70 WeakPolarHBondContact O-CG 3.39Å; G66-R70 PolarHBondContact O-N 3.37Å; G66-R70 PolarHBondContact O-NE 3.23Å; T67-R70 WeakPolarHBondContact O-CB 3.42Å; T67-R70 PolarHBondContact O-N 2.9Å; T67-R70 PolarHBondContact OG1-NH2 3.25Å; R70-Q73 PolarHBondContact O-N 3.16Å; R70-Q74 WeakPolarHBondContact O-CB 3.49Å; R70-Q74 PolarHBondContact O-N 2.89Å
71	Q	92.2	Very high	84.1	Confident	97 Å²	97	70.3 Å²	70.3	45%	0.453	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-42.7	176.2	-70.8	167.7	-22.5	0	0	111.9	L46 T67 R68 N69 Q74 L75	L46-Q71 HydrophobicContact CD1-CB 4.14Å; L46-Q71 HydrophobicContact CD2-CB 3.91Å; T67-Q71 WeakPolarHBondContact O-CG 3.4Å; T67-Q71 PolarHBondContact O-N 2.8Å; R68-Q71 PolarHBondContact O-N 2.8Å; N69-Q71 VanDerWaalsContact C-N 3.34Å; N69-Q71 PolarHBondContact O-N 3.32Å; Q71-Q74 PolarHBondContact O-N 3.13Å; Q71-L75 WeakPolarHBondContact O-CB 3.31Å; Q71-L75 PolarHBondContact O-N 2.68Å
72	L	92.3	Very high	86.1	Confident	30 Å²	30	68 Å²	68	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-45.9	175.5	178.1	55.8	0	0	0	112.3	W18 L22 R68 N69 Q74 L75 I76	W18-L72 HydrophobicContact CZ2-CD1 3.73Å; L22-L72 HydrophobicContact CD1-CD1 4.28Å; R68-L72 WeakPolarHBondContact O-CB 3.48Å; R68-L72 PolarHBondContact O-N 2.78Å; N69-L72 PolarHBondContact O-N 3.02Å; L72-Q74 VanDerWaalsContact C-N 3.28Å; L72-Q74 PolarHBondContact O-N 3.04Å; L72-L75 PolarHBondContact O-N 2.69Å; L72-I76 HydrophobicContact CD1-CD1 3.96Å; L72-I76 HydrophobicContact CD1-CG1 4.18Å; L72-I76 HydrophobicContact CG-CD1 3.89Å; L72-I76 WeakPolarHBondContact O-CD1 3.47Å; L72-I76 VanDerWaalsContact O-CG1 3.27Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.06Å
73	Q	93.8	Very high	88	Confident	101 Å²	101	61.3 Å²	61.3	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-36.6	176	-65.8	-61.1	-16.8	0	0	112.1	N69 R70 S77	N69-Q73 WeakPolarHBondContact O-CG 3.49Å; N69-Q73 PolarHBondContact O-N 3.1Å; R70-Q73 PolarHBondContact O-N 3.16Å; Q73-S77 WeakPolarHBondContact O-CB 3.27Å; Q73-S77 PolarHBondContact O-N 3.08Å; Q73-S77 PolarHBondContact O-OG 3.39Å
74	Q	94.8	Very high	89.6	Confident	110 Å²	110	59.8 Å²	59.8	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-66.6	-42.2	174.2	-172.7	174.9	15.4	0	0	112.1	R70 Q71 L72 S77 F78	R70-Q74 WeakPolarHBondContact O-CB 3.49Å; R70-Q74 PolarHBondContact O-N 2.89Å; Q71-Q74 PolarHBondContact O-N 3.13Å; L72-Q74 VanDerWaalsContact C-N 3.28Å; L72-Q74 PolarHBondContact O-N 3.04Å; Q74-S77 WeakPolarHBondContact O-CB 3.49Å; Q74-S77 PolarHBondContact O-N 3.2Å; Q74-F78 HydrophobicContact CG-CD2 3.96Å; Q74-F78 HydrophobicContact CG-CE2 3.55Å; Q74-F78 HydrophobicContact CG-CZ 4.09Å; Q74-F78 WeakPolarHBondContact O-CD2 3.48Å; Q74-F78 WeakPolarHBondContact O-CG 3.42Å; Q74-F78 PolarHBondContact O-N 2.92Å
75	L	95.7	Very high	91	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-45.9	174.3	170.6	59.3	0	0	0	111.9	F38 L39 N42 L46 Q71 L72 S77 F78 S79 M103	F38-L75 HydrophobicContact CD1-CD1 4.45Å; F38-L75 HydrophobicContact CE1-CD1 4.06Å; L39-L75 HydrophobicContact CD2-CG 4.05Å; N42-L75 HydrophobicContact CB-CD1 3.52Å; L46-L75 HydrophobicContact CD1-CD2 4.05Å; Q71-L75 WeakPolarHBondContact O-CB 3.31Å; Q71-L75 PolarHBondContact O-N 2.68Å; L72-L75 PolarHBondContact O-N 2.69Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 3.16Å; L75-F78 PolarHBondContact O-N 3.38Å; L75-S79 PolarHBondContact O-N 2.89Å; L75-M103 HydrophobicContact CD1-CE 3.9Å
76	I	94.6	Very high	92	Very high	31 Å²	31	52.3 Å²	52.3	16%	0.159	26%	0.261	C	S	.	.	H	α-helix	trans	-58.2	-46.5	175.4	-67.1	160.3	0	0	0	109.8	L22 L39 L72 F78 S79 M80	L22-I76 HydrophobicContact CD1-CD1 4.37Å; L22-I76 HydrophobicContact CD1-CG1 4.18Å; L22-I76 HydrophobicContact CD2-CD1 3.77Å; L22-I76 HydrophobicContact CD2-CG1 4.37Å; L39-I76 HydrophobicContact CD2-CG1 4.38Å; L72-I76 HydrophobicContact CD1-CD1 3.96Å; L72-I76 HydrophobicContact CD1-CG1 4.18Å; L72-I76 HydrophobicContact CG-CD1 3.89Å; L72-I76 WeakPolarHBondContact O-CD1 3.47Å; L72-I76 VanDerWaalsContact O-CG1 3.27Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.06Å; I76-F78 PolarHBondContact O-N 3.21Å; I76-S79 PolarHBondContact O-N 3Å; I76-S79 PolarHBondContact O-OG 2.84Å; I76-M80 PolarHBondContact O-N 3.01Å
77	S	95.9	Very high	92.5	Very high	72 Å²	72	52.3 Å²	52.3	50%	0.503	25%	0.254	S	S	.	.	H	α-helix	trans	-60.1	-44.1	177.6	-60	0	0	0	0	112.6	Q73 Q74 L75 M80 A81	Q73-S77 WeakPolarHBondContact O-CB 3.27Å; Q73-S77 PolarHBondContact O-N 3.08Å; Q73-S77 PolarHBondContact O-OG 3.39Å; Q74-S77 WeakPolarHBondContact O-CB 3.49Å; Q74-S77 PolarHBondContact O-N 3.2Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 3.16Å; S77-M80 PolarHBondContact O-N 3.2Å; S77-A81 WeakPolarHBondContact O-CB 3.44Å; S77-A81 PolarHBondContact O-N 2.88Å
78	F	96.9	Very high	92.7	Very high	38 Å²	38	54 Å²	54	17%	0.167	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-40.1	175.1	-73.8	-38.8	0	0	0	112.5	F38 Q74 L75 I76 M80 A81 W82 V96 K99 I100 M103	F38-F78 HydrophobicContact CE1-CB 4.23Å; F38-F78 HydrophobicContact CZ-CB 4.2Å; Q74-F78 HydrophobicContact CG-CD2 3.96Å; Q74-F78 HydrophobicContact CG-CE2 3.55Å; Q74-F78 HydrophobicContact CG-CZ 4.09Å; Q74-F78 WeakPolarHBondContact O-CD2 3.48Å; Q74-F78 WeakPolarHBondContact O-CG 3.42Å; Q74-F78 PolarHBondContact O-N 2.92Å; L75-F78 PolarHBondContact O-N 3.38Å; I76-F78 PolarHBondContact O-N 3.21Å; F78-M80 VanDerWaalsContact C-N 3.28Å; F78-M80 PolarHBondContact O-N 2.98Å; F78-A81 PolarHBondContact O-N 3.43Å; F78-W82 WeakPolarHBondContact O-CB 3.31Å; F78-W82 PolarHBondContact O-N 2.86Å; F78-V96 HydrophobicContact CE1-CG1 4.32Å; F78-K99 HydrophobicContact CZ-CG 4.33Å; F78-I100 HydrophobicContact CB-CG2 3.98Å; F78-I100 HydrophobicContact CD1-CG2 3.45Å; F78-I100 VanDerWaalsContact CD1-CG2 3.45Å; F78-I100 HydrophobicContact CE1-CG2 4.22Å; F78-I100 HydrophobicContact CG-CG2 3.98Å; F78-M103 HydrophobicContact CB-CE 4.45Å; F78-M103 HydrophobicContact CB-SD 4.5Å; F78-M103 HydrophobicContact CD2-CE 4.08Å; F78-M103 HydrophobicContact CD2-SD 3.75Å; F78-M103 HydrophobicContact CE2-SD 4.21Å; F78-M103 HydrophobicContact CG-SD 4.3Å
79	S	95.5	Very high	92.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-39.2	176.1	81.6	0	0	0	0	112	R35 F38 L75 I76 A83	R35-S79 WeakPolarHBondContact CD-O 3.44Å; R35-S79 WeakPolarHBondContact CD-OG 3.14Å; R35-S79 PolarHBondContact NH1-OG 3.45Å; F38-S79 VanDerWaalsContact CD1-CB 3.48Å; L75-S79 PolarHBondContact O-N 2.89Å; I76-S79 PolarHBondContact O-N 3Å; I76-S79 PolarHBondContact O-OG 2.84Å; S79-A83 WeakPolarHBondContact O-CB 3.44Å; S79-A83 PolarHBondContact O-N 2.85Å
80	M	94.9	Very high	92.9	Very high	52 Å²	52	47.2 Å²	47.2	26%	0.256	24%	0.239	S	C	.	.	H	α-helix	trans	-75.4	-41.5	179.7	-171.6	59.5	72.7	0	0	111.6	C24 I76 S77 F78 W82 A83 N84	C24-M80 HydrophobicContact CB-CE 4.4Å; C24-M80 VanDerWaalsContact SG-CE 3.57Å; I76-M80 PolarHBondContact O-N 3.01Å; S77-M80 PolarHBondContact O-N 3.2Å; F78-M80 VanDerWaalsContact C-N 3.28Å; F78-M80 PolarHBondContact O-N 2.98Å; M80-W82 VanDerWaalsContact C-N 3.31Å; M80-W82 PolarHBondContact O-N 3.41Å; M80-A83 PolarHBondContact O-N 3.38Å; M80-N84 VanDerWaalsContact O-CB 3.31Å; M80-N84 WeakPolarHBondContact O-CB 3.48Å; M80-N84 PolarHBondContact O-N 3.33Å; M80-N84 PolarHBondContact O-ND2 3.25Å
81	A	95	Very high	92.9	Very high	12 Å²	12	46.6 Å²	46.6	10%	0.099	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-40.2	173.6	0	0	0	0	0	111.9	S77 F78 H85 Y92 I100	S77-A81 WeakPolarHBondContact O-CB 3.44Å; S77-A81 PolarHBondContact O-N 2.88Å; F78-A81 PolarHBondContact O-N 3.43Å; A81-H85 WeakPolarHBondContact O-CB 3.49Å; A81-H85 PolarHBondContact O-N 3.42Å; A81-Y92 HydrophobicContact CB-CD2 4.31Å; A81-Y92 HydrophobicContact CB-CE2 3.96Å; A81-Y92 VanDerWaalsContact O-CE2 3.29Å; A81-Y92 WeakPolarHBondContact O-CE2 3.45Å; A81-I100 HydrophobicContact CB-CD1 4.23Å
82	W	95	Very high	93	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-48.7	174.7	177.9	75.6	0	0	0	112.2	H34 F38 F78 M80 N84 H85 V86 I100 A104 I107 V109	H34-W82 HydrophobicContact CB-CH2 3.97Å; H34-W82 HydrophobicContact CB-CZ3 3.98Å; F38-W82 HydrophobicContact CB-CE3 4.15Å; F38-W82 HydrophobicContact CB-CZ3 4.28Å; F38-W82 HydrophobicContact CD2-CB 4.21Å; F38-W82 AromaticContact CD2-CD2 3.81Å; F38-W82 HydrophobicContact CD2-CD2 3.81Å; F38-W82 AromaticContact CD2-CE3 3.9Å; F38-W82 HydrophobicContact CD2-CE3 3.9Å; F38-W82 AromaticContact CD2-CG 3.93Å; F38-W82 HydrophobicContact CD2-CG 3.93Å; F38-W82 HydrophobicContact CE2-CB 3.9Å; F38-W82 HydrophobicContact CE2-CD2 4.28Å; F38-W82 AromaticContact CE2-CG 3.89Å; F38-W82 HydrophobicContact CE2-CG 3.89Å; F38-W82 HydrophobicContact CG-CE3 4.26Å; F38-W82 HydrophobicContact CZ-CB 4.42Å; F78-W82 WeakPolarHBondContact O-CB 3.31Å; F78-W82 PolarHBondContact O-N 2.86Å; M80-W82 VanDerWaalsContact C-N 3.31Å; M80-W82 PolarHBondContact O-N 3.41Å; W82-N84 PolarHBondContact O-N 3.43Å; W82-H85 WeakPolarHBondContact O-CB 3.47Å; W82-H85 PolarHBondContact O-N 3.37Å; W82-H85 VanDerWaalsContact O-N 3.15Å; W82-V86 HydrophobicContact CD2-CG2 4.42Å; W82-V86 HydrophobicContact CZ2-CG2 4.1Å; W82-V86 WeakPolarHBondContact O-CG2 3.13Å; W82-V86 PolarHBondContact O-N 3.05Å; W82-I100 HydrophobicContact CB-CB 4.3Å; W82-I100 HydrophobicContact CB-CD1 4.46Å; W82-A104 HydrophobicContact CD2-CB 4.2Å; W82-A104 HydrophobicContact CG-CB 4.16Å; W82-A104 HydrophobicContact CZ2-CB 4.16Å; W82-I107 HydrophobicContact CH2-CB 4.36Å; W82-I107 HydrophobicContact CH2-CG2 3.54Å; W82-I107 HydrophobicContact CZ2-CB 4.33Å; W82-I107 HydrophobicContact CZ2-CG2 3.92Å; W82-V109 HydrophobicContact CH2-CG2 3.92Å; W82-V109 HydrophobicContact CZ2-CG2 4.15Å
83	A	92.9	Very high	93.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-45.5	176.8	0	0	0	0	0	111.8	R35 S79 M80 H85 V86 F87	R35-A83 HydrophobicContact CB-CB 4.46Å; R35-A83 HydrophobicContact CG-CB 4.41Å; S79-A83 WeakPolarHBondContact O-CB 3.44Å; S79-A83 PolarHBondContact O-N 2.85Å; M80-A83 PolarHBondContact O-N 3.38Å; A83-H85 VanDerWaalsContact C-N 3.31Å; A83-H85 PolarHBondContact O-N 3.46Å; A83-V86 PolarHBondContact O-N 3.39Å; A83-F87 HydrophobicContact CB-CD2 4.43Å; A83-F87 WeakPolarHBondContact O-CB 3.35Å; A83-F87 WeakPolarHBondContact O-CD2 3.47Å; A83-F87 PolarHBondContact O-N 3.34Å
84	N	92.1	Very high	93.2	Very high	38 Å²	38	50 Å²	50	20%	0.203	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-33.7	176.3	-71.3	-25.3	0	0	0	112.9	M80 W82 L88 G89 C90 Y92	M80-N84 VanDerWaalsContact O-CB 3.31Å; M80-N84 WeakPolarHBondContact O-CB 3.48Å; M80-N84 PolarHBondContact O-N 3.33Å; M80-N84 PolarHBondContact O-ND2 3.25Å; W82-N84 PolarHBondContact O-N 3.43Å; N84-L88 CarbonylContact O-C 3.48Å; N84-L88 WeakPolarHBondContact O-CA 3.49Å; N84-L88 WeakPolarHBondContact O-CB 3.49Å; N84-L88 PolarHBondContact O-N 3.42Å; N84-G89 PolarHBondContact O-N 2.82Å; N84-G89 VanDerWaalsContact O-N 3.13Å; N84-C90 HydrophobicContact CB-CB 4.09Å; N84-C90 WeakPolarHBondContact O-CB 3.06Å; N84-C90 PolarHBondContact O-N 2.98Å; N84-Y92 HydrophobicContact CB-CE2 4.49Å; N84-Y92 WeakPolarHBondContact CB-OH 3.46Å; N84-Y92 PolarHBondContact ND2-OH 2.89Å
85	H	91.8	Very high	93.2	Very high	38 Å²	38	53.3 Å²	53.3	18%	0.176	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-47.8	173.6	179.5	66.5	0	0	0	111.9	A81 W82 A83 G89 C90 M97	A81-H85 WeakPolarHBondContact O-CB 3.49Å; A81-H85 PolarHBondContact O-N 3.42Å; W82-H85 WeakPolarHBondContact O-CB 3.47Å; W82-H85 PolarHBondContact O-N 3.37Å; W82-H85 VanDerWaalsContact O-N 3.15Å; A83-H85 VanDerWaalsContact C-N 3.31Å; A83-H85 PolarHBondContact O-N 3.46Å; H85-G89 VanDerWaalsContact O-CA 3.24Å; H85-G89 WeakPolarHBondContact O-CA 3.37Å; H85-G89 PolarHBondContact O-N 3.32Å; H85-C90 PolarHBondContact ND1-O 3.43Å; H85-M97 HydrophobicContact CB-CE 4.29Å; H85-M97 VanDerWaalsContact CE1-CE 3.44Å; H85-M97 WeakPolarHBondContact CE1-CE 3.37Å; H85-M97 WeakPolarHBondContact ND1-CE 3.21Å
86	V	90.3	Very high	93.2	Very high	26 Å²	26	55.2 Å²	55.2	16%	0.158	28%	0.281	C	S	.	.	H	α-helix	trans	-78.4	-35	-173.9	178.9	0	0	0	0	113.2	W82 A83 V109 A112	W82-V86 HydrophobicContact CD2-CG2 4.42Å; W82-V86 HydrophobicContact CZ2-CG2 4.1Å; W82-V86 WeakPolarHBondContact O-CG2 3.13Å; W82-V86 PolarHBondContact O-N 3.05Å; A83-V86 PolarHBondContact O-N 3.39Å; V86-V109 HydrophobicContact CG1-CB 4.08Å; V86-V109 HydrophobicContact CG1-CG1 4.09Å; V86-V109 HydrophobicContact CG1-CG2 3.99Å; V86-A112 HydrophobicContact CG1-CB 4.02Å
87	F	89.3	Confident	93.2	Very high	24 Å²	24	54.1 Å²	54.1	11%	0.105	28%	0.276	C	S	.	.	H	α-helix	trans	-113.6	-5.8	-172.4	-61.1	-76.4	0	0	0	115.1	H31 H34 A83 V109 Y115	H31-F87 VanDerWaalsContact CD2-CB 3.43Å; H31-F87 WeakPolarHBondContact CD2-CB 3.47Å; H31-F87 AromaticContact CD2-CD2 3.69Å; H31-F87 AromaticContact CD2-CG 3.7Å; H31-F87 WeakPolarHBondContact NE2-CB 3.27Å; H31-F87 AromaticContact NE2-CG 3.9Å; H34-F87 HydrophobicContact CB-CE2 4.12Å; H34-F87 HydrophobicContact CB-CZ 4.11Å; H34-F87 AromaticContact CG-CZ 3.94Å; H34-F87 AromaticContact ND1-CZ 3.55Å; A83-F87 HydrophobicContact CB-CD2 4.43Å; A83-F87 WeakPolarHBondContact O-CB 3.35Å; A83-F87 WeakPolarHBondContact O-CD2 3.47Å; A83-F87 PolarHBondContact O-N 3.34Å; F87-V109 HydrophobicContact CE1-CG1 3.5Å; F87-V109 VanDerWaalsContact CE1-CG1 3.5Å; F87-V109 HydrophobicContact CE2-CG2 4.37Å; F87-V109 HydrophobicContact CZ-CB 4.36Å; F87-V109 HydrophobicContact CZ-CG1 3.5Å; F87-V109 VanDerWaalsContact CZ-CG1 3.5Å; F87-V109 HydrophobicContact CZ-CG2 3.87Å; F87-Y115 WeakPolarHBondContact CA-OH 3.35Å; F87-Y115 PolarHBondContact O-OH 3.04Å
88	L	88	Confident	93.2	Very high	92 Å²	92	54.8 Å²	54.8	48%	0.482	27%	0.274	S	S	.	.	H	α-helix	trans	-128.1	-0.1	170	-69.9	88.9	0	0	0	113.1	H31 N84 C90 Y115	H31-L88 WeakPolarHBondContact NE2-CD1 3.14Å; N84-L88 CarbonylContact O-C 3.48Å; N84-L88 WeakPolarHBondContact O-CA 3.49Å; N84-L88 WeakPolarHBondContact O-CB 3.49Å; N84-L88 PolarHBondContact O-N 3.42Å; L88-C90 PolarHBondContact O-N 3.06Å; L88-Y115 PolarHBondContact N-OH 3.37Å
89	G	88.4	Confident	93.2	Very high	15 Å²	15	58 Å²	58	16%	0.155	29%	0.288	C	S	.	.			trans	71.5	9.4	179.6	0	0	0	0	0	114.7	N84 H85 R91	N84-G89 PolarHBondContact O-N 2.82Å; N84-G89 VanDerWaalsContact O-N 3.13Å; H85-G89 VanDerWaalsContact O-CA 3.24Å; H85-G89 WeakPolarHBondContact O-CA 3.37Å; H85-G89 PolarHBondContact O-N 3.32Å; G89-R91 PolarHBondContact O-NH1 2.9Å
90	C	91.1	Very high	93.2	Very high	42 Å²	42	58 Å²	58	28%	0.284	29%	0.288	S	S	.	.			trans	-56.5	152.9	-174.4	-64.5	0	0	0	0	112.7	N84 H85 L88 Y92	N84-C90 HydrophobicContact CB-CB 4.09Å; N84-C90 WeakPolarHBondContact O-CB 3.06Å; N84-C90 PolarHBondContact O-N 2.98Å; H85-C90 PolarHBondContact ND1-O 3.43Å; L88-C90 PolarHBondContact O-N 3.06Å; C90-Y92 HydrophobicContact CB-CE2 3.83Å
91	R	91.4	Very high	93.2	Very high	144 Å²	144	59.5 Å²	59.5	54%	0.543	30%	0.296	S	S	.	.			trans	-122	135.8	178.7	-63.7	-61.9	-169.1	-103.8	11.1	109.5	G89	G89-R91 PolarHBondContact O-NH1 2.9Å
92	Y	94.3	Very high	93.2	Very high	78 Å²	78	62 Å²	62	31%	0.306	31%	0.313	S	S	.	.			trans	-125.6	165.8	179.2	-60.1	-78.1	0	0	0	109.3	A81 N84 C90 M97	A81-Y92 HydrophobicContact CB-CD2 4.31Å; A81-Y92 HydrophobicContact CB-CE2 3.96Å; A81-Y92 VanDerWaalsContact O-CE2 3.29Å; A81-Y92 WeakPolarHBondContact O-CE2 3.45Å; N84-Y92 HydrophobicContact CB-CE2 4.49Å; N84-Y92 WeakPolarHBondContact CB-OH 3.46Å; N84-Y92 PolarHBondContact ND2-OH 2.89Å; C90-Y92 HydrophobicContact CB-CE2 3.83Å; Y92-M97 HydrophobicContact CD2-SD 3.91Å; Y92-M97 HydrophobicContact CG-SD 4.41Å; Y92-M97 WeakPolarHBondContact O-CG 3.49Å
93	P	96.4	Very high	93.1	Very high	94 Å²	94	62.8 Å²	62.8	61%	0.61	32%	0.317	S	S	*	.			trans	-55.7	142.7	176.5	-25.4	35.4	0	0	0	111.7	K95 V96 M97	P93-K95 VanDerWaalsContact C-N 3.33Å; P93-K95 PolarHBondContact O-N 2.86Å; P93-V96 WeakPolarHBondContact O-CA 3.42Å; P93-V96 WeakPolarHBondContact O-CB 3.35Å; P93-V96 PolarHBondContact O-N 2.77Å; P93-M97 PolarHBondContact O-N 2.65Å; P93-M97 VanDerWaalsContact O-N 3.12Å
94	Q	93.7	Very high	93.1	Very high	127 Å²	127	63 Å²	63	59%	0.593	32%	0.319	S	S	*	.	H	α-helix	trans	-53.5	-45.9	-167.8	-165.5	60.6	42	0	0	113.3	V96 M97 D98	Q94-V96 PolarHBondContact O-N 3.4Å; Q94-M97 CarbonylContact O-C 3.55Å; Q94-M97 WeakPolarHBondContact O-CA 3.34Å; Q94-M97 VanDerWaalsContact O-CB 3.32Å; Q94-M97 WeakPolarHBondContact O-CB 3.02Å; Q94-M97 PolarHBondContact O-N 3.3Å; Q94-D98 PolarHBondContact NE2-OD1 3.39Å; Q94-D98 PolarHBondContact O-N 3.05Å
95	K	94.9	Very high	93.1	Very high	180 Å²	180	68.2 Å²	68.2	78%	0.783	34%	0.342	S	S	*	.	H	α-helix	trans	-55.5	-27.6	175.8	-175.3	174.2	-179.5	176.4	0	114.5	P93	P93-K95 VanDerWaalsContact C-N 3.33Å; P93-K95 PolarHBondContact O-N 2.86Å
96	V	94.8	Very high	92.6	Very high	48 Å²	48	68.4 Å²	68.4	29%	0.291	35%	0.354	S	S	.	.	H	α-helix	trans	-79.9	-44.9	172	-180	0	0	0	0	110.1	F78 P93 Q94 D98 K99 I100	F78-V96 HydrophobicContact CE1-CG1 4.32Å; P93-V96 WeakPolarHBondContact O-CA 3.42Å; P93-V96 WeakPolarHBondContact O-CB 3.35Å; P93-V96 PolarHBondContact O-N 2.77Å; Q94-V96 PolarHBondContact O-N 3.4Å; V96-D98 PolarHBondContact O-N 2.85Å; V96-K99 PolarHBondContact O-N 3.48Å; V96-I100 HydrophobicContact CG1-CG2 4.25Å; V96-I100 WeakPolarHBondContact O-CG1 3.36Å; V96-I100 WeakPolarHBondContact O-CG2 3.47Å; V96-I100 PolarHBondContact O-N 3.15Å
97	M	95.5	Very high	92.4	Very high	9 Å²	9	67.9 Å²	67.9	4%	0.044	35%	0.351	C	S	.	.	H	α-helix	trans	-55.7	-50	176.4	-69.9	-55.6	-40.9	0	0	112.3	H85 Y92 P93 Q94 K99 I100 L101	H85-M97 HydrophobicContact CB-CE 4.29Å; H85-M97 VanDerWaalsContact CE1-CE 3.44Å; H85-M97 WeakPolarHBondContact CE1-CE 3.37Å; H85-M97 WeakPolarHBondContact ND1-CE 3.21Å; Y92-M97 HydrophobicContact CD2-SD 3.91Å; Y92-M97 HydrophobicContact CG-SD 4.41Å; Y92-M97 WeakPolarHBondContact O-CG 3.49Å; P93-M97 PolarHBondContact O-N 2.65Å; P93-M97 VanDerWaalsContact O-N 3.12Å; Q94-M97 CarbonylContact O-C 3.55Å; Q94-M97 WeakPolarHBondContact O-CA 3.34Å; Q94-M97 VanDerWaalsContact O-CB 3.32Å; Q94-M97 WeakPolarHBondContact O-CB 3.02Å; Q94-M97 PolarHBondContact O-N 3.3Å; M97-K99 VanDerWaalsContact C-N 3.28Å; M97-K99 PolarHBondContact O-N 3.12Å; M97-I100 HydrophobicContact CE-CD1 3.97Å; M97-I100 HydrophobicContact CE-CG1 4.3Å; M97-I100 WeakPolarHBondContact O-CG1 3.31Å; M97-I100 PolarHBondContact O-N 2.97Å; M97-I100 HydrophobicContact SD-CD1 3.97Å; M97-L101 HydrophobicContact CE-CD1 4.09Å; M97-L101 HydrophobicContact CE-CG 4.23Å; M97-L101 WeakPolarHBondContact O-CB 3.23Å; M97-L101 VanDerWaalsContact O-CG 3.23Å; M97-L101 WeakPolarHBondContact O-CG 3.24Å; M97-L101 PolarHBondContact O-N 3.06Å
98	D	95.8	Very high	91.9	Very high	85 Å²	85	75.1 Å²	75.1	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-58.1	-43.3	179.9	-51.3	-35.9	0	0	0	110.8	Q94 V96 S102	Q94-D98 PolarHBondContact NE2-OD1 3.39Å; Q94-D98 PolarHBondContact O-N 3.05Å; V96-D98 PolarHBondContact O-N 2.85Å; D98-S102 WeakPolarHBondContact O-CB 3.38Å; D98-S102 PolarHBondContact O-N 3.13Å
99	K	96.1	Very high	91.7	Very high	107 Å²	107	72 Å²	72	47%	0.465	37%	0.366	S	S	.	.	H	α-helix	trans	-70.5	-43.1	-179.3	-175.1	55.3	179	169.1	0	112.7	F78 V96 M97 M103	F78-K99 HydrophobicContact CZ-CG 4.33Å; V96-K99 PolarHBondContact O-N 3.48Å; M97-K99 VanDerWaalsContact C-N 3.28Å; M97-K99 PolarHBondContact O-N 3.12Å; K99-M103 HydrophobicContact CD-CG 4.3Å; K99-M103 HydrophobicContact CD-SD 4.25Å; K99-M103 HydrophobicContact CG-SD 4.14Å; K99-M103 WeakPolarHBondContact O-CB 3.44Å; K99-M103 VanDerWaalsContact O-CG 3.29Å; K99-M103 WeakPolarHBondContact O-CG 3.49Å; K99-M103 PolarHBondContact O-N 3.42Å
100	I	95.8	Very high	90.6	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-71.9	-30.9	179.4	67.5	-178.5	0	0	0	112.2	F78 A81 W82 V96 M97 A104	F78-I100 HydrophobicContact CB-CG2 3.98Å; F78-I100 HydrophobicContact CD1-CG2 3.45Å; F78-I100 VanDerWaalsContact CD1-CG2 3.45Å; F78-I100 HydrophobicContact CE1-CG2 4.22Å; F78-I100 HydrophobicContact CG-CG2 3.98Å; A81-I100 HydrophobicContact CB-CD1 4.23Å; W82-I100 HydrophobicContact CB-CB 4.3Å; W82-I100 HydrophobicContact CB-CD1 4.46Å; V96-I100 HydrophobicContact CG1-CG2 4.25Å; V96-I100 WeakPolarHBondContact O-CG1 3.36Å; V96-I100 WeakPolarHBondContact O-CG2 3.47Å; V96-I100 PolarHBondContact O-N 3.15Å; M97-I100 HydrophobicContact CE-CD1 3.97Å; M97-I100 HydrophobicContact CE-CG1 4.3Å; M97-I100 WeakPolarHBondContact O-CG1 3.31Å; M97-I100 PolarHBondContact O-N 2.97Å; M97-I100 HydrophobicContact SD-CD1 3.97Å; I100-A104 VanDerWaalsContact O-CB 3.31Å; I100-A104 WeakPolarHBondContact O-CB 3.38Å; I100-A104 PolarHBondContact O-N 3.2Å
101	L	94	Very high	89.5	Confident	82 Å²	82	80.5 Å²	80.5	43%	0.429	41%	0.411	S	S	.	.	H	α-helix	trans	-71.4	-42	174.7	-69	171.7	0	0	0	111.3	M97 A104 E105	M97-L101 HydrophobicContact CE-CD1 4.09Å; M97-L101 HydrophobicContact CE-CG 4.23Å; M97-L101 WeakPolarHBondContact O-CB 3.23Å; M97-L101 VanDerWaalsContact O-CG 3.23Å; M97-L101 WeakPolarHBondContact O-CG 3.24Å; M97-L101 PolarHBondContact O-N 3.06Å; L101-A104 CarbonylContact O-C 3.51Å; L101-A104 PolarHBondContact O-N 3.18Å; L101-A104 VanDerWaalsContact O-N 3.1Å; L101-E105 PolarHBondContact O-N 3.15Å; L101-E105 VanDerWaalsContact O-N 3.08Å
102	S	95.3	Very high	88.5	Confident	66 Å²	66	75.7 Å²	75.7	46%	0.462	40%	0.402	S	S	.	.	H	α-helix	trans	-59.3	-45.8	169.7	170.2	0	0	0	0	112	D98 A104 E105	D98-S102 WeakPolarHBondContact O-CB 3.38Å; D98-S102 PolarHBondContact O-N 3.13Å; S102-A104 PolarHBondContact O-N 3.44Å; S102-A104 VanDerWaalsContact O-N 3.16Å; S102-E105 WeakPolarHBondContact O-CB 3.29Å; S102-E105 PolarHBondContact O-N 3.19Å
103	M	94.1	Very high	87.7	Confident	22 Å²	22	75.2 Å²	75.2	11%	0.108	41%	0.409	C	S	.	.	H	α-helix	trans	-65.8	-14.6	175.2	-72.3	178.1	69.3	0	0	114	F38 R41 N42 L75 F78 K99	F38-M103 HydrophobicContact CE1-CE 4.13Å; F38-M103 HydrophobicContact CE2-CB 3.8Å; F38-M103 HydrophobicContact CZ-CB 3.58Å; F38-M103 HydrophobicContact CZ-CE 4.1Å; R41-M103 PolarHBondContact NH2-O 2.89Å; N42-M103 HydrophobicContact CB-CE 3.89Å; N42-M103 PolarHBondContact ND2-O 3.27Å; N42-M103 WeakPolarHBondContact OD1-CB 3.16Å; N42-M103 WeakPolarHBondContact OD1-CE 3.28Å; N42-M103 PolarHBondContact OD1-O 3.03Å; L75-M103 HydrophobicContact CD1-CE 3.9Å; F78-M103 HydrophobicContact CB-CE 4.45Å; F78-M103 HydrophobicContact CB-SD 4.5Å; F78-M103 HydrophobicContact CD2-CE 4.08Å; F78-M103 HydrophobicContact CD2-SD 3.75Å; F78-M103 HydrophobicContact CE2-SD 4.21Å; F78-M103 HydrophobicContact CG-SD 4.3Å; K99-M103 HydrophobicContact CD-CG 4.3Å; K99-M103 HydrophobicContact CD-SD 4.25Å; K99-M103 HydrophobicContact CG-SD 4.14Å; K99-M103 WeakPolarHBondContact O-CB 3.44Å; K99-M103 VanDerWaalsContact O-CG 3.29Å; K99-M103 WeakPolarHBondContact O-CG 3.49Å; K99-M103 PolarHBondContact O-N 3.42Å
104	A	92.8	Very high	86.4	Confident	6 Å²	6	77.3 Å²	77.3	5%	0.05	42%	0.42	C	S	.	.	H	α-helix	trans	-100.7	-8.3	176.3	0	0	0	0	0	114.3	F38 R41 W82 I100 L101 S102 G106 I107	F38-A104 HydrophobicContact CD2-CB 3.96Å; F38-A104 HydrophobicContact CE2-CB 3.94Å; R41-A104 PolarHBondContact NH1-O 2.97Å; R41-A104 VanDerWaalsContact NH1-O 3.16Å; W82-A104 HydrophobicContact CD2-CB 4.2Å; W82-A104 HydrophobicContact CG-CB 4.16Å; W82-A104 HydrophobicContact CZ2-CB 4.16Å; I100-A104 VanDerWaalsContact O-CB 3.31Å; I100-A104 WeakPolarHBondContact O-CB 3.38Å; I100-A104 PolarHBondContact O-N 3.2Å; L101-A104 CarbonylContact O-C 3.51Å; L101-A104 PolarHBondContact O-N 3.18Å; L101-A104 VanDerWaalsContact O-N 3.1Å; S102-A104 PolarHBondContact O-N 3.44Å; S102-A104 VanDerWaalsContact O-N 3.16Å; A104-G106 PolarHBondContact O-N 3.38Å; A104-G106 VanDerWaalsContact O-N 3.13Å; A104-I107 WeakPolarHBondContact O-CB 3.42Å; A104-I107 PolarHBondContact O-N 3.37Å
105	E	90.4	Very high	85.4	Confident	148 Å²	148	75.2 Å²	75.2	69%	0.692	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	118.1	-171.5	-178.2	173.8	-174.1	0	0	112.4	R41 L101 S102	R41-E105 PolarHBondContact NH1-O 3.48Å; R41-E105 PolarHBondContact NH2-O 2.92Å; L101-E105 PolarHBondContact O-N 3.15Å; L101-E105 VanDerWaalsContact O-N 3.08Å; S102-E105 WeakPolarHBondContact O-CB 3.29Å; S102-E105 PolarHBondContact O-N 3.19Å
106	G	81.8	Confident	84.2	Confident	41 Å²	41	70.1 Å²	70.1	42%	0.423	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.6	-20.5	-176	0	0	0	0	0	116.1	A104 K108	A104-G106 PolarHBondContact O-N 3.38Å; A104-G106 VanDerWaalsContact O-N 3.13Å; G106-K108 PolarHBondContact O-N 3.45Å; G106-K108 VanDerWaalsContact O-N 3.16Å
107	I	87.1	Confident	83	Confident	16 Å²	16	69.6 Å²	69.6	8%	0.082	39%	0.388	C	S	.	.			trans	-75.8	104.4	172	-64.1	160.6	0	0	0	108.5	M1 D37 F38 W82 A104	M1-I107 HydrophobicContact SD-CG1 4.49Å; D37-I107 HydrophobicContact CB-CD1 4.49Å; F38-I107 HydrophobicContact CB-CD1 3.88Å; F38-I107 HydrophobicContact CD2-CD1 4.36Å; W82-I107 HydrophobicContact CH2-CB 4.36Å; W82-I107 HydrophobicContact CH2-CG2 3.54Å; W82-I107 HydrophobicContact CZ2-CB 4.33Å; W82-I107 HydrophobicContact CZ2-CG2 3.92Å; A104-I107 WeakPolarHBondContact O-CB 3.42Å; A104-I107 PolarHBondContact O-N 3.37Å
108	K	78.3	Confident	81.9	Confident	175 Å²	175	78.6 Å²	78.6	76%	0.761	42%	0.421	S	S	*	.			trans	-95.9	106.6	-177.3	-67.5	179.5	-177.8	178.8	0	110.8	G106 T110	G106-K108 PolarHBondContact O-N 3.45Å; G106-K108 VanDerWaalsContact O-N 3.16Å; K108-T110 PolarHBondContact O-N 2.91Å
109	V	82.8	Confident	80.6	Confident	26 Å²	26	79.9 Å²	79.9	16%	0.158	43%	0.428	C	S	.	.			trans	-84.9	104.9	171.7	-179.2	0	0	0	0	108.5	H34 W82 V86 F87 D111 A112	H34-V109 HydrophobicContact CB-CG2 4.38Å; W82-V109 HydrophobicContact CH2-CG2 3.92Å; W82-V109 HydrophobicContact CZ2-CG2 4.15Å; V86-V109 HydrophobicContact CG1-CB 4.08Å; V86-V109 HydrophobicContact CG1-CG1 4.09Å; V86-V109 HydrophobicContact CG1-CG2 3.99Å; F87-V109 HydrophobicContact CE1-CG1 3.5Å; F87-V109 VanDerWaalsContact CE1-CG1 3.5Å; F87-V109 HydrophobicContact CE2-CG2 4.37Å; F87-V109 HydrophobicContact CZ-CB 4.36Å; F87-V109 HydrophobicContact CZ-CG1 3.5Å; F87-V109 VanDerWaalsContact CZ-CG1 3.5Å; F87-V109 HydrophobicContact CZ-CG2 3.87Å; V109-D111 VanDerWaalsContact C-N 3.3Å; V109-D111 PolarHBondContact O-N 2.63Å; V109-A112 HydrophobicContact CB-CB 4.31Å; V109-A112 HydrophobicContact CG1-CB 3.83Å
110	T	66	Low	79.7	Confident	138 Å²	138	78.2 Å²	78.2	85%	0.847	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.7	-174.1	50.3	0	0	0	0	114.8	K108	K108-T110 PolarHBondContact O-N 2.91Å
111	D	68.3	Low	78.7	Confident	98 Å²	98	82.4 Å²	82.4	52%	0.524	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	44.1	-174.9	-174.5	38.9	0	0	0	110	K30 V109	K30-D111 IonicContact NZ-OD2 3.98Å; K30-D111 PolarHBondContact NZ-OD2 3.43Å; V109-D111 VanDerWaalsContact C-N 3.3Å; V109-D111 PolarHBondContact O-N 2.63Å
112	A	70.3	Confident	77.5	Confident	44 Å²	44	82.4 Å²	82.4	36%	0.364	45%	0.447	S	S	.	.			trans	-79	123.7	177.8	0	0	0	0	0	110.2	V86 V109	V86-A112 HydrophobicContact CG1-CB 4.02Å; V109-A112 HydrophobicContact CB-CB 4.31Å; V109-A112 HydrophobicContact CG1-CB 3.83Å
113	P	76.8	Confident	76.5	Confident	68 Å²	68	81.7 Å²	81.7	44%	0.442	45%	0.446	S	S	.	.			trans	-66.1	142.5	179.4	-17.7	30.9	0	0	0	111.7	Y115	P113-Y115 HydrophobicContact CB-CE1 4.41Å; P113-Y115 HydrophobicContact CB-CE2 4.2Å; P113-Y115 WeakPolarHBondContact CB-OH 3.47Å; P113-Y115 WeakPolarHBondContact CG-OH 3.42Å; P113-Y115 VanDerWaalsContact O-CD2 3.23Å; P113-Y115 WeakPolarHBondContact O-CD2 3.42Å; P113-Y115 WeakPolarHBondContact O-CE2 3.48Å; P113-Y115 PolarHBondContact O-N 2.75Å
114	T	70.4	Confident	75.3	Confident	138 Å²	138	86.2 Å²	86.2	85%	0.847	47%	0.465	S	S	*	.			trans	-88.2	111	-177.9	-52.1	0	0	0	0	111.5
115	Y	71.4	Confident	74.1	Confident	83 Å²	83	90.9 Å²	90.9	33%	0.325	49%	0.492	S	S	.	.			trans	-93.9	109.7	178	-52.1	-81.5	0	0	0	111.7	F87 L88 P113 T117	F87-Y115 WeakPolarHBondContact CA-OH 3.35Å; F87-Y115 PolarHBondContact O-OH 3.04Å; L88-Y115 PolarHBondContact N-OH 3.37Å; P113-Y115 HydrophobicContact CB-CE1 4.41Å; P113-Y115 HydrophobicContact CB-CE2 4.2Å; P113-Y115 WeakPolarHBondContact CB-OH 3.47Å; P113-Y115 WeakPolarHBondContact CG-OH 3.42Å; P113-Y115 VanDerWaalsContact O-CD2 3.23Å; P113-Y115 WeakPolarHBondContact O-CD2 3.42Å; P113-Y115 WeakPolarHBondContact O-CE2 3.48Å; P113-Y115 PolarHBondContact O-N 2.75Å; Y115-T117 PolarHBondContact O-N 3.38Å
116	T	71.4	Confident	72.8	Confident	73 Å²	73	90.9 Å²	90.9	45%	0.448	49%	0.49	S	S	.	.			trans	-74.2	119.7	162.8	56.5	0	0	0	0	109.3
117	T	68.9	Low	71.7	Confident	36 Å²	36	98.2 Å²	98.2	22%	0.221	51%	0.51	C	S	.	.			trans	-65.7	157	175.6	57.6	0	0	0	0	111.9	Y115 D119 E120 L121	Y115-T117 PolarHBondContact O-N 3.38Å; T117-D119 PolarHBondContact O-N 2.9Å; T117-E120 WeakPolarHBondContact CB-OE1 3.42Å; T117-E120 WeakPolarHBondContact CG2-OE1 3.37Å; T117-E120 PolarHBondContact N-OE1 3.47Å; T117-E120 PolarHBondContact O-N 3.27Å; T117-E120 WeakPolarHBondContact OG1-CB 3.43Å; T117-E120 VanDerWaalsContact OG1-CG 3.23Å; T117-E120 WeakPolarHBondContact OG1-CG 3.5Å; T117-E120 PolarHBondContact OG1-N 3.43Å; T117-E120 PolarHBondContact OG1-OE1 2.95Å; T117-L121 WeakPolarHBondContact O-CG 3.46Å; T117-L121 PolarHBondContact O-N 3.33Å; T117-L121 VanDerWaalsContact O-N 3.08Å
118	R	71.2	Confident	70.4	Confident	198 Å²	198	108.5 Å²	108.5	75%	0.747	55%	0.548	S	S	*	.	H	α-helix	trans	-52.9	-41.9	168.4	-177.6	-155	-83.7	171.1	-8	110	L121 V122	R118-L121 CarbonylContact O-C 3.49Å; R118-L121 WeakPolarHBondContact O-CA 3.46Å; R118-L121 WeakPolarHBondContact O-CB 3.42Å; R118-L121 PolarHBondContact O-N 2.95Å; R118-L121 VanDerWaalsContact O-N 3.07Å; R118-V122 HydrophobicContact CG-CG2 4.13Å; R118-V122 WeakPolarHBondContact O-CG2 3.39Å; R118-V122 PolarHBondContact O-N 3.23Å
119	D	68.9	Low	69.3	Low	113 Å²	113	102.6 Å²	102.6	60%	0.604	54%	0.537	S	S	*	.	H	α-helix	trans	-73.2	-32.2	-172.5	-49.6	-54.6	0	0	0	111.7	T117 A123	T117-D119 PolarHBondContact O-N 2.9Å; D119-A123 WeakPolarHBondContact O-CB 3.29Å; D119-A123 PolarHBondContact O-N 3.04Å
120	E	77.8	Confident	67.7	Low	72 Å²	72	108.3 Å²	108.3	34%	0.336	57%	0.565	S	S	.	*	H	α-helix	trans	-63.3	-41	164.3	-77.2	161	-106.3	0	0	112.9	T117 A123 K124	T117-E120 WeakPolarHBondContact CB-OE1 3.42Å; T117-E120 WeakPolarHBondContact CG2-OE1 3.37Å; T117-E120 PolarHBondContact N-OE1 3.47Å; T117-E120 PolarHBondContact O-N 3.27Å; T117-E120 WeakPolarHBondContact OG1-CB 3.43Å; T117-E120 VanDerWaalsContact OG1-CG 3.23Å; T117-E120 WeakPolarHBondContact OG1-CG 3.5Å; T117-E120 PolarHBondContact OG1-N 3.43Å; T117-E120 PolarHBondContact OG1-OE1 2.95Å; E120-A123 PolarHBondContact O-N 2.88Å; E120-K124 VanDerWaalsContact O-CB 3.25Å; E120-K124 WeakPolarHBondContact O-CB 3.37Å; E120-K124 WeakPolarHBondContact O-CD 3.47Å; E120-K124 WeakPolarHBondContact O-CG 3.37Å; E120-K124 PolarHBondContact O-N 2.96Å; E120-K124 IonicContact OE2-NZ 2.78Å
121	L	74.5	Confident	66.5	Low	88 Å²	88	107.4 Å²	107.4	46%	0.461	56%	0.564	S	S	.	*	H	α-helix	trans	-66.8	-43.5	178.9	-67.6	171	0	0	0	110.6	T117 R118 K124 V125	T117-L121 WeakPolarHBondContact O-CG 3.46Å; T117-L121 PolarHBondContact O-N 3.33Å; T117-L121 VanDerWaalsContact O-N 3.08Å; R118-L121 CarbonylContact O-C 3.49Å; R118-L121 WeakPolarHBondContact O-CA 3.46Å; R118-L121 WeakPolarHBondContact O-CB 3.42Å; R118-L121 PolarHBondContact O-N 2.95Å; R118-L121 VanDerWaalsContact O-N 3.07Å; L121-K124 PolarHBondContact O-N 3.33Å; L121-V125 WeakPolarHBondContact O-CB 3.42Å; L121-V125 VanDerWaalsContact O-CG2 3.31Å; L121-V125 WeakPolarHBondContact O-CG2 3.18Å; L121-V125 PolarHBondContact O-N 2.92Å
122	V	69.8	Low	65.4	Low	82 Å²	82	108 Å²	108	50%	0.497	58%	0.576	S	S	.	*	H	α-helix	trans	-66.7	-37.4	174.4	172.9	0	0	0	0	111.2	R118 V125 K126	R118-V122 HydrophobicContact CG-CG2 4.13Å; R118-V122 WeakPolarHBondContact O-CG2 3.39Å; R118-V122 PolarHBondContact O-N 3.23Å; V122-V125 PolarHBondContact O-N 2.98Å; V122-K126 VanDerWaalsContact O-CB 3.28Å; V122-K126 WeakPolarHBondContact O-CB 3.46Å; V122-K126 PolarHBondContact O-N 3.21Å
123	A	73.1	Confident	64.1	Low	51 Å²	51	111.3 Å²	111.3	42%	0.421	60%	0.597	S	S	.	*	H	α-helix	trans	-69.4	-36.6	173.6	0	0	0	0	0	112.4	D119 E120 K126 K127	D119-A123 WeakPolarHBondContact O-CB 3.29Å; D119-A123 PolarHBondContact O-N 3.04Å; E120-A123 PolarHBondContact O-N 2.88Å; A123-K126 PolarHBondContact O-N 2.84Å; A123-K127 WeakPolarHBondContact O-CB 3.42Å; A123-K127 WeakPolarHBondContact O-CG 3.41Å; A123-K127 PolarHBondContact O-N 3.31Å
124	K	69.4	Low	62	Low	117 Å²	117	114.6 Å²	114.6	51%	0.509	61%	0.61	S	S	.	*	H	α-helix	trans	-66.1	-40.5	172.1	-77.4	162	-179.9	159.2	0	111	E120 L121 R128	E120-K124 VanDerWaalsContact O-CB 3.25Å; E120-K124 WeakPolarHBondContact O-CB 3.37Å; E120-K124 WeakPolarHBondContact O-CD 3.47Å; E120-K124 WeakPolarHBondContact O-CG 3.37Å; E120-K124 PolarHBondContact O-N 2.96Å; E120-K124 IonicContact OE2-NZ 2.78Å; L121-K124 PolarHBondContact O-N 3.33Å; K124-R128 VanDerWaalsContact O-CB 3.25Å; K124-R128 WeakPolarHBondContact O-CB 3.31Å; K124-R128 PolarHBondContact O-N 2.9Å; K124-R128 VanDerWaalsContact O-N 3.08Å
125	V	68.1	Low	60.7	Low	103 Å²	103	116.3 Å²	116.3	62%	0.624	61%	0.609	S	S	*	*	H	α-helix	trans	-64.5	-46.6	172	168.2	0	0	0	0	110.8	L121 V122 K127 R128 G129	L121-V125 WeakPolarHBondContact O-CB 3.42Å; L121-V125 VanDerWaalsContact O-CG2 3.31Å; L121-V125 WeakPolarHBondContact O-CG2 3.18Å; L121-V125 PolarHBondContact O-N 2.92Å; V122-V125 PolarHBondContact O-N 2.98Å; V125-K127 PolarHBondContact O-N 3.18Å; V125-R128 CarbonylContact O-C 3.37Å; V125-R128 WeakPolarHBondContact O-CA 3.5Å; V125-R128 PolarHBondContact O-N 2.82Å; V125-G129 WeakPolarHBondContact O-CA 3.32Å; V125-G129 PolarHBondContact O-N 3.14Å
126	K	62.4	Low	58.9	Low	148 Å²	148	116.1 Å²	116.1	64%	0.643	63%	0.632	S	S	*	*	H	α-helix	trans	-67.5	-33.8	179.6	-167.1	165.8	-177.8	173.8	0	112.9	V122 A123 R128	V122-K126 VanDerWaalsContact O-CB 3.28Å; V122-K126 WeakPolarHBondContact O-CB 3.46Å; V122-K126 PolarHBondContact O-N 3.21Å; A123-K126 PolarHBondContact O-N 2.84Å; K126-R128 VanDerWaalsContact C-N 3.29Å; K126-R128 PolarHBondContact O-N 3.21Å
127	K	59.2	Low	57.5	Low	195 Å²	195	119.2 Å²	119.2	85%	0.848	65%	0.65	S	S	*	*	H	α-helix	trans	-69.8	-20.7	168.4	-80.7	-166.2	172.2	-168.2	0	113.8	A123 V125	A123-K127 WeakPolarHBondContact O-CB 3.42Å; A123-K127 WeakPolarHBondContact O-CG 3.41Å; A123-K127 PolarHBondContact O-N 3.31Å; V125-K127 PolarHBondContact O-N 3.18Å
128	R	59.4	Low	56	Low	233 Å²	233	125.8 Å²	125.8	88%	0.879	68%	0.678	S	S	*	*	H	α-helix	trans	-102	-3.2	178.3	-175.3	167.9	-77.5	-179.2	-5.5	113	K124 V125 K126	K124-R128 VanDerWaalsContact O-CB 3.25Å; K124-R128 WeakPolarHBondContact O-CB 3.31Å; K124-R128 PolarHBondContact O-N 2.9Å; K124-R128 VanDerWaalsContact O-N 3.08Å; V125-R128 CarbonylContact O-C 3.37Å; V125-R128 WeakPolarHBondContact O-CA 3.5Å; V125-R128 PolarHBondContact O-N 2.82Å; K126-R128 VanDerWaalsContact C-N 3.29Å; K126-R128 PolarHBondContact O-N 3.21Å
129	G	54.7	Low	54.6	Low	51 Å²	51	122.7 Å²	122.7	53%	0.526	67%	0.672	S	S	.	*	S	Bend	trans	-142.2	37.9	-163.5	0	0	0	0	0	114.9	V125	V125-G129 WeakPolarHBondContact O-CA 3.32Å; V125-G129 PolarHBondContact O-N 3.14Å
130	I	50.4	Low	53.3	Low	145 Å²	145	123.2 Å²	123.2	74%	0.744	68%	0.682	S	S	*	*	S	Bend	trans	-165.4	74.2	147.9	38.6	163.2	0	0	0	109
131	S	40.4	Very low	51.2	Low	120 Å²	120	122.3 Å²	122.3	84%	0.839	68%	0.684	S	S	*	*			trans	-140	115	162.3	-169.1	0	0	0	0	107.9
132	S	44.8	Very low	49.4	Very low	111 Å²	111	126.6 Å²	126.6	78%	0.776	70%	0.698	S	S	*	*			trans	-150.2	97.4	-169.5	172.4	0	0	0	0	108.6
133	S	43.2	Very low	48.1	Very low	113 Å²	113	132.2 Å²	132.2	79%	0.79	72%	0.716	S	S	*	*			trans	62.8	145.8	-172.4	-55.4	0	0	0	0	114.4
134	N	32.6	Very low	46.2	Very low	137 Å²	137	140.3 Å²	140.3	73%	0.733	74%	0.736	S	S	*	*			cis	-125.6	-172.9	15.8	-159	47.6	0	0	0	113.8
135	E	44.1	Very low	44.5	Very low	174 Å²	174	141.2 Å²	141.2	81%	0.813	75%	0.751	S	S	*	*			trans	-51.2	149.3	-174.3	-64.5	160.6	93.7	0	0	116.9
136	G	32.9	Very low	43.2	Very low	78 Å²	78	143.2 Å²	143.2	80%	0.804	76%	0.756	S	S	*	*			trans	-179.3	104.6	168.5	0	0	0	0	0	109.3
137	V	42.2	Very low	41.7	Very low	138 Å²	138	143.1 Å²	143.1	84%	0.836	76%	0.759	S	S	*	*			trans	-69	132.6	-176.8	171	0	0	0	0	111
138	E	36.4	Very low	40.3	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.813	75%	0.754	S	S	*	*			trans	-178.3	117.7	133.7	-96.9	-63.6	93.1	0	0	108.7
139	E	42.9	Very low	39.3	Very low	133 Å²	133	134.3 Å²	134.3	62%	0.621	75%	0.748	S	S	*	*			trans	-109.1	146.7	167.2	-143.7	-149.4	164.3	0	0	107.9	S141	E139-S141 WeakPolarHBondContact OE1-CA 3.48Å; E139-S141 WeakPolarHBondContact OE1-CB 3.45Å; E139-S141 PolarHBondContact OE1-N 2.99Å; E139-S141 PolarHBondContact OE1-OG 2.79Å
140	P	41.3	Very low	38	Very low	125 Å²	125	139.1 Å²	139.1	81%	0.812	76%	0.761	S	S	*	*				-146.2	121.8	97.6	32.9	-15.1	0	0	0	116.1
141	S	33.1	Very low	37.1	Very low	52 Å²	52	137.5 Å²	137.5	36%	0.364	76%	0.762	S	S	.	*			trans	-15.8	152.6	142.3	-104	0	0	0	0	121.7	E139	E139-S141 WeakPolarHBondContact OE1-CA 3.48Å; E139-S141 WeakPolarHBondContact OE1-CB 3.45Å; E139-S141 PolarHBondContact OE1-N 2.99Å; E139-S141 PolarHBondContact OE1-OG 2.79Å
142	K	36.1	Very low	36.7	Very low	178 Å²	178	137 Å²	137	77%	0.774	76%	0.759	S	S	*	*			trans	77.5	105.8	138.6	-66.2	161.8	-168.4	96.2	0	119.1
143	K	42.5	Very low	36	Very low	201 Å²	201	136 Å²	136	87%	0.874	76%	0.758	S	S	*	*			trans	-46.7	147.8	140.3	-77.2	-177	172.6	-176.6	0	110.5
144	R	34.1	Very low	35.4	Very low	221 Å²	221	137.2 Å²	137.2	83%	0.834	76%	0.76	S	S	*	*			trans	-137.4	125.5	147	-143.2	-174.2	-62.9	-169.5	3.2	109.5	I146	R144-I146 HydrophobicContact CG-CG1 4.5Å
145	V	33.4	Very low	35.2	Very low	135 Å²	135	138.4 Å²	138.4	82%	0.818	76%	0.761	S	S	*	*			trans	-112.5	122.7	165.4	170.5	0	0	0	0	105.7
146	I	40.8	Very low	34.6	Very low	145 Å²	145	138.7 Å²	138.7	74%	0.744	76%	0.763	S	S	*	*			trans	-134.4	150.2	168.5	-74.1	-176.1	0	0	0	107.2	R144	R144-I146 HydrophobicContact CG-CG1 4.5Å
147	E	31.3	Very low	34.4	Very low	147 Å²	147	141.1 Å²	141.1	69%	0.687	76%	0.757	S	S	*	*			trans	-88.4	151.3	-160.9	-169.6	-172.7	148.4	0	0	114	K149	E147-K149 WeakPolarHBondContact OE1-CD 3.16Å; E147-K149 WeakPolarHBondContact OE1-CE 3.47Å; E147-K149 IonicContact OE1-NZ 2.63Å; E147-K149 PolarHBondContact OE1-NZ 3.14Å
148	G	29.7	Very low	33.9	Very low	74 Å²	74	142.4 Å²	142.4	76%	0.763	75%	0.754	S	S	*	*			trans	-152.4	113.5	167	0	0	0	0	0	111.5
149	K	37.8	Very low	33.6	Very low	169 Å²	169	138.6 Å²	138.6	74%	0.735	75%	0.752	S	S	*	*			trans	-68.5	161.7	170.5	-110	90.1	75.6	170.6	0	109.9	E147	E147-K149 WeakPolarHBondContact OE1-CD 3.16Å; E147-K149 WeakPolarHBondContact OE1-CE 3.47Å; E147-K149 IonicContact OE1-NZ 2.63Å; E147-K149 PolarHBondContact OE1-NZ 3.14Å
150	N	28.8	Very low	33.1	Very low	152 Å²	152	141.1 Å²	141.1	81%	0.813	76%	0.761	S	S	*	*			cis	-156.6	173.6	36	41.1	10.9	0	0	0	114.7
151	S	29.8	Very low	32.5	Very low	110 Å²	110	140.9 Å²	140.9	77%	0.769	76%	0.757	S	S	*	*			trans	-77.7	169.1	172.5	51.4	0	0	0	0	112.9
152	S	32.5	Very low	32.5	Very low	109 Å²	109	144.2 Å²	144.2	76%	0.762	78%	0.78	S	S	*	*			cis	-161.2	157	39.3	39.8	0	0	0	0	109.9
153	A	30.1	Very low	32.2	Very low	92 Å²	92	140.1 Å²	140.1	76%	0.76	78%	0.78	S	S	*	*			cis	87.3	138.9	43.2	0	0	0	0	0	115.7
154	V	30.9	Very low	31.8	Very low	138 Å²	138	139.9 Å²	139.9	84%	0.836	78%	0.779	S	S	*	*			trans	99.1	152.6	177.4	-174.4	0	0	0	0	117.3
155	E	28.3	Very low	31.5	Very low	161 Å²	161	134.8 Å²	134.8	75%	0.752	77%	0.772	S	S	*	*			trans	-63	179.6	-170.5	-62.1	161.1	87	0	0	115
156	Q	30.8	Very low	31.3	Very low	181 Å²	181	136.4 Å²	136.4	85%	0.846	77%	0.771	S	S	*	*			cis	-161.3	-152.7	37.4	-149.4	166.5	43.5	0	0	114.7
157	D	29.1	Very low	31	Very low	129 Å²	129	140.9 Å²	140.9	69%	0.69	78%	0.778	S	S	*	*			trans	-94.9	179.9	-156.5	-156.6	-46.4	0	0	0	114.6
158	H	31.9	Very low	30.9	Very low	165 Å²	165	137.8 Å²	137.8	76%	0.764	78%	0.778	S	S	*	*			trans	103.9	91.8	152.1	-59.5	-17.8	0	0	0	120.8
159	A	29.9	Very low	31.1	Very low	93 Å²	93	140.2 Å²	140.2	77%	0.769	78%	0.784	S	S	*	*				76.7	134.1	116.8	0	0	0	0	0	124
160	K	33.6	Very low	30.7	Very low	187 Å²	187	136.2 Å²	136.2	81%	0.813	78%	0.782	S	S	*	*			trans	96.5	115.9	135.7	-113.3	-170.2	178.1	-179	0	122.5
161	T	28.7	Very low	30.8	Very low	119 Å²	119	138 Å²	138	73%	0.73	79%	0.785	S	S	*	*			trans	61.4	112.2	138.3	44.2	0	0	0	0	122.3
162	S	33.6	Very low	30.9	Very low	122 Å²	122	141 Å²	141	85%	0.853	79%	0.787	S	S	*	*				177.7	170	104.3	54.3	0	0	0	0	111.7
163	A	29.5	Very low	30.6	Very low	92 Å²	92	143 Å²	143	76%	0.76	78%	0.784	S	S	*	*				-177.5	107.6	-63.2	0	0	0	0	0	110.9
164	K	32.8	Very low	30.6	Very low	196 Å²	196	145.2 Å²	145.2	85%	0.852	78%	0.783	S	S	*	*			trans	179.8	132.2	156.2	-102.9	179.3	176.1	-172.8	0	108.1
165	T	29.3	Very low	30.8	Very low	115 Å²	115	143.4 Å²	143.4	71%	0.706	78%	0.777	S	S	*	*				67.4	123.3	76.8	-50.7	0	0	0	0	111
166	E	29.4	Very low	31.3	Very low	168 Å²	168	141 Å²	141	79%	0.785	78%	0.778	S	S	*	*			cis	-139.4	146	32	-136.5	145.4	120.7	0	0	110.3
167	R	32.7	Very low	31.3	Very low	239 Å²	239	137.5 Å²	137.5	90%	0.902	78%	0.78	S	S	*	*				41.7	139.7	82.1	-82.8	-171.6	175.4	159.8	-1.3	115.6
168	A	30.4	Very low	31.2	Very low	83 Å²	83	134.5 Å²	134.5	69%	0.686	78%	0.779	S	S	*	*			cis	-168.6	170.6	-10.2	0	0	0	0	0	111.9
169	S	32.4	Very low	31.1	Very low	125 Å²	125	134.1 Å²	134.1	87%	0.874	79%	0.789	S	S	*	*			trans	65.9	158.9	165.1	-68.2	0	0	0	0	117.6
170	A	31.1	Very low	31	Very low	84 Å²	84	133.6 Å²	133.6	69%	0.694	79%	0.793	S	S	*	*			cis	-154	136.4	-13.8	0	0	0	0	0	106.6
171	Q	29.7	Very low	31.1	Very low	190 Å²	190	129.9 Å²	129.9	89%	0.888	80%	0.797	S	S	*	*				71.1	143.9	80.6	-163	177.3	-6.3	0	0	114.9
172	Q	32.6	Very low	31.1	Very low	172 Å²	172	128.6 Å²	128.6	80%	0.804	80%	0.798	S	S	*	*			trans	81.6	151.4	168.9	-147.7	167.8	24.8	0	0	116.9
173	E	26.5	Very low	31.1	Very low	151 Å²	151	130.5 Å²	130.5	71%	0.706	80%	0.797	S	S	*	*				-164.6	159.2	-58.6	-107.3	179.9	131.5	0	0	109.2
174	N	30	Very low	31.2	Very low	139 Å²	139	133 Å²	133	74%	0.743	79%	0.791	S	S	*	*			trans	53.3	130	149.4	-87.7	-10.4	0	0	0	125.2
175	S	34.7	Very low	31	Very low	100 Å²	100	129.5 Å²	129.5	70%	0.699	79%	0.791	S	S	*	*				100.1	135	124.8	-70.2	0	0	0	0	124.4
176	S	37.8	Very low	31.1	Very low	110 Å²	110	131 Å²	131	77%	0.769	79%	0.79	S	S	*	*			trans	61.8	102	141.7	59.6	0	0	0	0	122.8
177	A	31.2	Very low	31.1	Very low	109 Å²	109	128.9 Å²	128.9	90%	0.901	79%	0.794	S	S	*	*				35.2	134.9	120.4	0	0	0	0	0	122.9
178	G	28.6	Very low	31	Very low	65 Å²	65	120.3 Å²	120.3	67%	0.67	78%	0.78	S	S	*	*			trans	139.6	116.5	134.7	0	0	0	0	0	119
179	T	29.3	Very low	31.2	Very low	158 Å²	158	124.3 Å²	124.3	97%	0.969	79%	0.79	S	S	*	*			trans	55.7	138.4	148.8	48.4	0	0	0	0	122.4
180	G	27.1	Very low	31.3	Very low	82 Å²	82	123.5 Å²	123.5	85%	0.845	78%	0.784	S	S	*	*			trans	152.4	133.8	162	0	0	0	0	0	113.4
181	A	35.8	Very low	31.4	Very low	109 Å²	109	123.6 Å²	123.6	90%	0.901	79%	0.785	S	S	*	*			trans	-148.6	143.2	-178.2	0	0	0	0	0	114
182	A	29.6	Very low	31.7	Very low	91 Å²	91	125.5 Å²	125.5	75%	0.752	78%	0.784	S	S	*	*			trans	-155.8	118	167.5	0	0	0	0	0	108.1
183	I	32.4	Very low	31.9	Very low	162 Å²	162	122.8 Å²	122.8	83%	0.831	78%	0.784	S	S	*	*				83.4	94.7	78.5	-66.7	167.7	0	0	0	114.5
184	K	32.1	Very low	32.4	Very low	145 Å²	145	120.5 Å²	120.5	63%	0.63	79%	0.791	S	S	*	*				53.5	122.7	127.9	-154.9	-165	-172.1	-143.9	0	121.4	E186	K184-E186 WeakPolarHBondContact CE-OE1 3.42Å; K184-E186 WeakPolarHBondContact CE-OE2 3.24Å; K184-E186 IonicContact NZ-OE1 3.46Å; K184-E186 PolarHBondContact NZ-OE1 3.38Å; K184-E186 IonicContact NZ-OE2 2.78Å; K184-E186 PolarHBondContact NZ-OE2 2.83Å
185	S	29.1	Very low	32.3	Very low	123 Å²	123	117.5 Å²	117.5	86%	0.86	79%	0.793	S	S	*	*			trans	-155.3	174	144	-76.5	0	0	0	0	110.2
186	E	29.6	Very low	32.4	Very low	146 Å²	146	120.8 Å²	120.8	68%	0.682	80%	0.801	S	S	*	*				-159.9	-173.7	-110.6	-173.2	141.3	-132.2	0	0	110.6	K184	K184-E186 WeakPolarHBondContact CE-OE1 3.42Å; K184-E186 WeakPolarHBondContact CE-OE2 3.24Å; K184-E186 IonicContact NZ-OE1 3.46Å; K184-E186 PolarHBondContact NZ-OE1 3.38Å; K184-E186 IonicContact NZ-OE2 2.78Å; K184-E186 PolarHBondContact NZ-OE2 2.83Å
187	S	31.3	Very low	32.3	Very low	123 Å²	123	120 Å²	120	86%	0.86	80%	0.796	S	S	*	*			trans	79.5	137.2	-178.9	-159.4	0	0	0	0	116.5
188	G	30.6	Very low	32.5	Very low	60 Å²	60	120 Å²	120	62%	0.619	79%	0.789	S	S	*	*			cis	167.2	129.5	-11.3	0	0	0	0	0	116.2
189	N	33.8	Very low	33	Very low	167 Å²	167	124.7 Å²	124.7	89%	0.893	79%	0.794	S	S	*	*			trans	52.4	162.5	150.5	-67.2	-5.4	0	0	0	123.3
190	S	34.2	Very low	33.2	Very low	107 Å²	107	123.5 Å²	123.5	75%	0.748	78%	0.781	S	S	*	*			cis	-175.8	153.8	-36.6	-167	0	0	0	0	112.4
191	A	33.9	Very low	33.8	Very low	87 Å²	87	124.2 Å²	124.2	72%	0.719	77%	0.774	S	S	*	*			trans	70.5	162.8	157.7	0	0	0	0	0	119.1
192	R	35.1	Very low	33.6	Very low	229 Å²	229	123.5 Å²	123.5	86%	0.864	76%	0.762	S	S	*	*			cis	-145.7	152.9	13.1	-49.4	172.8	93.1	167.7	6	113
193	S	38	Very low	33.7	Very low	115 Å²	115	125.3 Å²	125.3	80%	0.804	76%	0.764	S	S	*	*			trans	49.9	152	142.2	-56.8	0	0	0	0	123.3
194	A	36	Very low	33.9	Very low	103 Å²	103	122.5 Å²	122.5	85%	0.851	76%	0.759	S	S	*	*			cis	-173.1	155.8	-20.1	0	0	0	0	0	110.3
195	G	27.2	Very low	34	Very low	76 Å²	76	123.3 Å²	123.3	78%	0.784	77%	0.77	S	S	*	*			trans	169.6	113.9	171.1	0	0	0	0	0	118.1
196	I	37	Very low	34.1	Very low	169 Å²	169	121.4 Å²	121.4	87%	0.867	77%	0.769	S	S	*	*			trans	-30.5	156.4	164.5	50.7	173.2	0	0	0	119
197	S	35.9	Very low	34.2	Very low	94 Å²	94	121.8 Å²	121.8	66%	0.657	78%	0.776	S	S	*	*			cis	-175.9	163	-8.2	51	0	0	0	0	112.7
198	S	35.4	Very low	34.3	Very low	110 Å²	110	126 Å²	126	77%	0.769	77%	0.773	S	S	*	*			trans	73.7	136.9	149.7	-71	0	0	0	0	119.9
199	Q	38.7	Very low	34.4	Very low	162 Å²	162	127.2 Å²	127.2	76%	0.757	77%	0.773	S	S	*	*			cis	-147.9	166.9	-7.2	-56.1	-164.5	-81.1	0	0	112.2
200	N	33.8	Very low	34.2	Very low	133 Å²	133	125.4 Å²	125.4	71%	0.711	77%	0.767	S	S	*	*			trans	60.3	113.6	147.3	-72	15.8	0	0	0	119.9
201	S	39.4	Very low	34	Very low	98 Å²	98	125.5 Å²	125.5	69%	0.685	77%	0.768	S	S	*	*				98.3	135.3	56.7	67.8	0	0	0	0	112.4
202	S	33.1	Very low	34	Very low	94 Å²	94	126.1 Å²	126.1	66%	0.657	77%	0.767	S	S	*	*			cis	-173.6	146.5	-2.1	45.4	0	0	0	0	112
203	T	31.5	Very low	33.8	Very low	128 Å²	128	124 Å²	124	79%	0.785	77%	0.767	S	S	*	*			trans	39.9	147.6	140.1	60.1	0	0	0	0	122.5
204	S	35.8	Very low	33.5	Very low	104 Å²	104	123.4 Å²	123.4	73%	0.727	76%	0.762	S	S	*	*			cis	-175	178.4	-11.6	54.1	0	0	0	0	109.7
205	D	33.6	Very low	33.2	Very low	161 Å²	161	124.1 Å²	124.1	86%	0.861	76%	0.761	S	S	*	*			trans	-60.8	165.8	169.8	-43.1	-101.9	0	0	0	114.2
206	G	32	Very low	33.5	Very low	83 Å²	83	125 Å²	125	86%	0.856	76%	0.755	S	S	*	*			trans	-179.8	119.7	170.5	0	0	0	0	0	113.8
207	D	30.6	Very low	33.3	Very low	155 Å²	155	122.3 Å²	122.3	83%	0.829	75%	0.751	S	S	*	*			trans	-114.6	171.2	-168.4	-159.4	-13.9	0	0	0	112.7
208	R	34.1	Very low	33.2	Very low	211 Å²	211	124.5 Å²	124.5	80%	0.796	76%	0.761	S	S	*	*			trans	81.5	123.6	154.8	-67.4	-176.6	73.4	174.2	5.8	123.6
209	S	32.1	Very low	32.9	Very low	86 Å²	86	123.9 Å²	123.9	60%	0.601	76%	0.756	S	S	*	*				87.3	98	120.1	-70	0	0	0	0	123.7
210	V	30.6	Very low	32.7	Very low	129 Å²	129	121 Å²	121	78%	0.782	75%	0.754	S	S	*	*			trans	56.6	126.2	131.2	-64.2	0	0	0	0	124.7
211	S	30.7	Very low	32.7	Very low	109 Å²	109	123 Å²	123	76%	0.762	76%	0.759	S	S	*	*			trans	67.7	141	143.7	-53.8	0	0	0	0	119.2
212	S	32.6	Very low	32.2	Very low	99 Å²	99	124.3 Å²	124.3	69%	0.692	76%	0.763	S	S	*	*			cis	-168.4	154.6	49.1	-54.5	0	0	0	0	114.6
213	Q	31	Very low	31.9	Very low	185 Å²	185	126.5 Å²	126.5	86%	0.864	77%	0.773	S	S	*	*			trans	65.6	155	152.8	-66.5	171.9	10.7	0	0	119.2
214	S	32.5	Very low	32.1	Very low	102 Å²	102	127 Å²	127	71%	0.713	78%	0.775	S	S	*	*			cis	-170.3	170	-21.9	-96.4	0	0	0	0	111
215	S	28.9	Very low	31.8	Very low	118 Å²	118	127 Å²	127	83%	0.825	78%	0.782	S	S	*	*			trans	68.1	153.2	170.3	78.2	0	0	0	0	118.4
216	S	33.4	Very low	31.6	Very low	95 Å²	95	123 Å²	123	66%	0.664	78%	0.779	S	S	*	*			cis	-165.8	133.3	-23.8	45.1	0	0	0	0	108.5
217	S	32.8	Very low	31.6	Very low	112 Å²	112	125.5 Å²	125.5	78%	0.783	78%	0.783	S	S	*	*				53.8	130.9	89.9	-41.2	0	0	0	0	114
218	V	33.4	Very low	31.5	Very low	141 Å²	141	121.1 Å²	121.1	86%	0.855	77%	0.774	S	S	*	*			cis	-139.8	-158.7	20.8	-75.2	0	0	0	0	110.5
219	S	30.2	Very low	31.3	Very low	97 Å²	97	121.7 Å²	121.7	68%	0.678	78%	0.783	S	S	*	*			cis	-165.6	-169.2	11.1	-153.8	0	0	0	0	113.2
220	S	34.3	Very low	31.2	Very low	102 Å²	102	122 Å²	122	71%	0.713	79%	0.79	S	S	*	*			trans	68.3	101.3	159.7	-55.5	0	0	0	0	118.9
221	Q	33.3	Very low	31.3	Very low	175 Å²	175	121.9 Å²	121.9	82%	0.818	80%	0.795	S	S	*	*				74.1	119.1	64.5	-64.5	-173.9	6.1	0	0	114
222	V	29.5	Very low	31.2	Very low	124 Å²	124	125.9 Å²	125.9	75%	0.752	80%	0.802	S	S	*	*			cis	93.8	127.3	48	165.1	0	0	0	0	113.3
223	T	27.5	Very low	31.2	Very low	141 Å²	141	125.2 Å²	125.2	87%	0.865	80%	0.802	S	S	*	*			trans	-166.2	154.7	148.4	3.2	0	0	0	0	111.9
224	T	34.5	Very low	31	Very low	138 Å²	138	125.3 Å²	125.3	85%	0.847	80%	0.803	S	S	*	*			trans	-150.1	142	-174	46.6	0	0	0	0	113.1
225	A	30.1	Very low	31.1	Very low	105 Å²	105	124.2 Å²	124.2	87%	0.868	80%	0.8	S	S	*	*			trans	-172.9	157.5	165.4	0	0	0	0	0	108.2
226	G	29.1	Very low	32.3	Very low	77 Å²	77	123.9 Å²	123.9	79%	0.794	80%	0.795	S	S	*	*			cis	100.9	132.5	3.4	0	0	0	0	0	113.1
227	S	32.8	Very low	32.2	Very low	134 Å²	134	124.9 Å²	124.9	94%	0.937	79%	0.793	S	S	*	*			cis	-167.8	159.6	-12.3	-161.6	0	0	0	0	106.9
228	G	29	Very low	32.3	Very low	63 Å²	63	126.3 Å²	126.3	65%	0.649	79%	0.785	S	S	*	*			cis	165	-141.3	7.1	0	0	0	0	0	109.4
229	K	29.1	Very low	32.2	Very low	224 Å²	224	128.3 Å²	128.3	97%	0.974	78%	0.784	S	S	*	*			trans	87.6	147.5	168.9	-155.4	172	-178.1	179.3	0	117.7
230	A	29	Very low	32.1	Very low	91 Å²	91	126.9 Å²	126.9	75%	0.752	79%	0.785	S	S	*	*			trans	-107.1	172.8	-161.2	0	0	0	0	0	115.3
231	S	33.6	Very low	32.1	Very low	128 Å²	128	127.9 Å²	127.9	90%	0.895	79%	0.792	S	S	*	*			trans	-159.1	149.4	143.8	-92.8	0	0	0	0	112.7
232	E	27.7	Very low	32	Very low	193 Å²	193	123.9 Å²	123.9	90%	0.902	79%	0.789	S	S	*	*			trans	-71.2	166.5	164	-90.8	156.7	79.2	0	0	112.4
233	A	33	Very low	32.2	Very low	85 Å²	85	122.6 Å²	122.6	70%	0.702	79%	0.785	S	S	*	*			cis	-142.9	-139.8	-9.1	0	0	0	0	0	108.4
234	E	26.7	Very low	32.4	Very low	187 Å²	187	126.1 Å²	126.1	87%	0.874	79%	0.789	S	S	*	*			cis	-159.8	-166.2	1.4	-146.1	-178	161.2	0	0	110.4
235	A	35.2	Very low	32.3	Very low	79 Å²	79	125.3 Å²	125.3	65%	0.653	78%	0.784	S	S	*	*			trans	-148.9	-173.4	174.4	0	0	0	0	0	108.9
236	P	54.8	Low	32.4	Very low	110 Å²	110	125 Å²	125	71%	0.714	78%	0.775	S	S	*	*			cis	-129.4	-139.1	-11.5	41.3	-21.3	0	0	0	111.4
237	D	29.8	Very low	32.5	Very low	116 Å²	116	128.2 Å²	128.2	62%	0.62	77%	0.773	S	S	*	*			trans	72.3	155.4	158	-86.7	11.5	0	0	0	119.9
238	K	34.8	Very low	32.5	Very low	142 Å²	142	127.8 Å²	127.8	62%	0.617	76%	0.76	S	S	*	*			cis	-168.4	146.5	-29.5	-129.6	-172	-149.4	83.9	0	109.3
239	H	31.5	Very low	32.7	Very low	183 Å²	183	132.9 Å²	132.9	85%	0.847	76%	0.764	S	S	*	*			trans	59.8	162.1	172.6	-63.5	-80.9	0	0	0	116.1
240	G	28.5	Very low	32.9	Very low	67 Å²	67	127.4 Å²	127.4	69%	0.691	75%	0.754	S	S	*	*			cis	-178.5	-170.1	-6.2	0	0	0	0	0	113.8
241	S	35.2	Very low	33	Very low	124 Å²	124	129 Å²	129	87%	0.867	76%	0.759	S	S	*	*			trans	-26.4	152	165.5	-63.7	0	0	0	0	117.9
242	A	31.3	Very low	33.3	Very low	90 Å²	90	129.2 Å²	129.2	74%	0.744	76%	0.755	S	S	*	*			cis	-166	-175.6	0.1	0	0	0	0	0	112.1
243	S	34	Very low	33.6	Very low	97 Å²	97	127.1 Å²	127.1	68%	0.678	75%	0.75	S	S	*	*			trans	-37.5	147.4	172.3	-42.4	0	0	0	0	117.1
244	F	31.7	Very low	33.6	Very low	216 Å²	216	128.2 Å²	128.2	95%	0.947	75%	0.753	S	S	*	*			trans	-133.6	158.1	133.7	-91.2	-72.7	0	0	0	111.3
245	V	32.5	Very low	33.7	Very low	121 Å²	121	128 Å²	128	73%	0.733	75%	0.751	S	S	*	*			trans	-119.4	163	-169.3	-179.1	0	0	0	0	108.8
246	S	31.3	Very low	33.7	Very low	99 Å²	99	131.7 Å²	131.7	69%	0.692	76%	0.757	S	S	*	*			trans	91.7	163.3	166.1	-33.2	0	0	0	0	115.2
247	L	32	Very low	32.6	Very low	143 Å²	143	132.5 Å²	132.5	75%	0.749	76%	0.76	S	S	*	*			cis	-157.2	141.2	8.5	-160.8	48.7	0	0	0	114.1
248	L	32.7	Very low	32.9	Very low	126 Å²	126	135.3 Å²	135.3	66%	0.66	77%	0.77	S	S	*	*			trans	55.6	145	149.2	-77.3	171.9	0	0	0	124.6
249	K	33.3	Very low	32.9	Very low	170 Å²	170	133.6 Å²	133.6	74%	0.739	78%	0.775	S	S	*	*			trans	69.9	129.4	150.5	-67.9	157.5	-176.8	177.6	0	117.6
250	S	32.2	Very low	32.8	Very low	108 Å²	108	131.7 Å²	131.7	76%	0.755	78%	0.777	S	S	*	*			cis	78.4	109.4	24.6	90.4	0	0	0	0	116.6
251	S	31.7	Very low	32.9	Very low	124 Å²	124	135.2 Å²	135.2	87%	0.867	78%	0.78	S	S	*	*			trans	-155.3	160.1	156.2	-164.7	0	0	0	0	110
252	V	39.5	Very low	32.7	Very low	134 Å²	134	135.1 Å²	135.1	81%	0.812	78%	0.779	S	S	*	*			trans	-145.3	133.4	-165.1	-159.8	0	0	0	0	112.7
253	N	33.4	Very low	32.7	Very low	148 Å²	148	141.4 Å²	141.4	79%	0.791	78%	0.784	S	S	*	*			trans	37.5	123.4	152	-173	56.8	0	0	0	122.8
254	S	34.6	Very low	32.7	Very low	108 Å²	108	144 Å²	144	76%	0.755	79%	0.785	S	S	*	*			trans	-169.3	149.5	157.7	56.9	0	0	0	0	109.6
255	H	28.3	Very low	32.7	Very low	183 Å²	183	142.1 Å²	142.1	85%	0.847	78%	0.779	S	S	*	*			cis	-159.1	178.8	-17.1	-165.8	-95	0	0	0	108.6
256	M	35.8	Very low	32.6	Very low	157 Å²	157	139.7 Å²	139.7	77%	0.773	78%	0.779	S	S	*	*			trans	-112.3	142.2	-175.8	176.8	147.4	76.4	0	0	115.4
257	T	31.4	Very low	32.3	Very low	127 Å²	127	138.9 Å²	138.9	78%	0.779	79%	0.786	S	S	*	*			trans	-164.8	117.8	154	41.4	0	0	0	0	108.8
258	Q	36.4	Very low	32.5	Very low	175 Å²	175	137.7 Å²	137.7	82%	0.818	79%	0.79	S	S	*	*				70.5	117.9	75.6	-75.3	-165.2	-2.6	0	0	117.6
259	S	33	Very low	33.2	Very low	105 Å²	105	137.4 Å²	137.4	73%	0.734	80%	0.795	S	S	*	*				165.9	141.8	119.3	-74.1	0	0	0	0	116.1
260	T	31	Very low	33.2	Very low	143 Å²	143	139.1 Å²	139.1	88%	0.877	80%	0.803	S	S	*	*			trans	56.9	166.3	155.8	52.7	0	0	0	0	122
261	D	30.8	Very low	33.6	Very low	142 Å²	142	143.6 Å²	143.6	76%	0.759	81%	0.809	S	S	*	*				179.4	128.1	-56.3	-171.4	-31	0	0	0	107.9
262	S	30.6	Very low	33.6	Very low	122 Å²	122	142.5 Å²	142.5	85%	0.853	80%	0.801	S	S	*	*			trans	-173.2	159.9	154.6	-86.5	0	0	0	0	112.4
263	R	31.4	Very low	33.2	Very low	222 Å²	222	140.4 Å²	140.4	84%	0.838	80%	0.798	S	S	*	*			trans	-148.6	160.4	-165.1	-165.5	-178.8	-177.5	-136.8	0.9	113
264	Q	33.8	Very low	33.2	Very low	150 Å²	150	140.5 Å²	140.5	70%	0.701	80%	0.797	S	S	*	*			trans	76.8	158.8	175.3	-46.4	-170.9	32.2	0	0	114.2
265	Q	32	Very low	32.9	Very low	177 Å²	177	144.3 Å²	144.3	83%	0.827	80%	0.803	S	S	*	*			cis	-150.8	-178.6	-3.8	-130.3	-178.6	82.7	0	0	107.4
266	G	28.8	Very low	32.9	Very low	70 Å²	70	138.8 Å²	138.8	72%	0.722	80%	0.796	S	S	*	*			cis	-164.4	-65.8	4.2	0	0	0	0	0	116
267	G	26.5	Very low	33	Very low	82 Å²	82	137.3 Å²	137.3	85%	0.845	80%	0.801	S	S	*	*			trans	-173.3	-179.4	-172.8	0	0	0	0	0	117.6
268	S	34.8	Very low	33.1	Very low	119 Å²	119	136.1 Å²	136.1	83%	0.832	80%	0.798	S	S	*	*			trans	-98.6	167.3	-177.5	-32.2	0	0	0	0	112.7
269	P	47.8	Very low	33.1	Very low	119 Å²	119	132.2 Å²	132.2	77%	0.773	80%	0.795	S	S	*	*				-164.8	156.1	80.1	42.4	-20.3	0	0	0	121.7
270	K	34.3	Very low	33.2	Very low	207 Å²	207	132.8 Å²	132.8	90%	0.9	80%	0.8	S	S	*	*			trans	53	155.1	141.3	-88.3	-177.9	174.5	175.5	0	126.8
271	K	38.7	Very low	33.3	Very low	201 Å²	201	130.2 Å²	130.2	87%	0.874	79%	0.793	S	S	*	*			trans	85.2	148.5	162.2	-88.6	-169.3	174	-174.5	0	118.1
272	S	33	Very low	33.5	Very low	102 Å²	102	128.6 Å²	128.6	71%	0.713	79%	0.792	S	S	*	*			cis	-166.3	163.7	2.4	42.9	0	0	0	0	115.7
273	A	30.2	Very low	33.7	Very low	90 Å²	90	132.1 Å²	132.1	74%	0.744	80%	0.796	S	S	*	*			trans	78.4	152.1	150.5	0	0	0	0	0	118.8
274	L	34.7	Very low	33.7	Very low	149 Å²	149	126.7 Å²	126.7	78%	0.78	79%	0.791	S	S	*	*			cis	-156	163.3	-5.5	-149	67.4	0	0	0	112.2
275	E	27.3	Very low	33.6	Very low	188 Å²	188	124 Å²	124	88%	0.879	79%	0.789	S	S	*	*			trans	58.5	151	164.2	-48.9	-156.7	119.6	0	0	120.8
276	G	28.7	Very low	33.7	Very low	67 Å²	67	120.5 Å²	120.5	69%	0.691	79%	0.785	S	S	*	*			cis	166.7	114.7	-14.6	0	0	0	0	0	116.2
277	S	37.5	Very low	33.7	Very low	127 Å²	127	124.7 Å²	124.7	89%	0.888	79%	0.785	S	S	*	*			trans	52.4	154.7	150.3	-66.5	0	0	0	0	122.4
278	S	33.8	Very low	33.9	Very low	102 Å²	102	127.3 Å²	127.3	71%	0.713	78%	0.779	S	S	*	*			cis	-169.8	129.1	-14	50.5	0	0	0	0	109.1
279	A	36.3	Very low	33.6	Very low	92 Å²	92	130.4 Å²	130.4	76%	0.76	78%	0.78	S	S	*	*				77.5	155.3	100.8	0	0	0	0	0	116.3
280	S	35.9	Very low	32.8	Very low	118 Å²	118	130.8 Å²	130.8	83%	0.825	78%	0.78	S	S	*	*			cis	-113.4	-138.6	-3.3	-62	0	0	0	0	109.3
281	A	33.5	Very low	33.8	Very low	89 Å²	89	126.3 Å²	126.3	74%	0.736	77%	0.772	S	S	*	*			cis	-167.7	163.4	-7.2	0	0	0	0	0	105.9
282	S	34.6	Very low	33.1	Very low	107 Å²	107	124.1 Å²	124.1	75%	0.748	77%	0.769	S	S	*	*			cis	-169.2	-179.8	-20.2	-77.5	0	0	0	0	105.4
283	Q	33.3	Very low	33	Very low	197 Å²	197	126.9 Å²	126.9	92%	0.921	78%	0.775	S	S	*	*			cis	-134.1	-88.6	11.7	-68	170.8	-115	0	0	112.6
284	S	31.3	Very low	32.7	Very low	107 Å²	107	125.8 Å²	125.8	75%	0.748	77%	0.773	S	S	*	*			trans	-170	163.2	-162.5	-161.5	0	0	0	0	109
285	S	31.7	Very low	32.5	Very low	94 Å²	94	125 Å²	125	66%	0.657	78%	0.779	S	S	*	*			cis	-156.1	158.4	16.5	-39.5	0	0	0	0	112.6
286	S	34.5	Very low	32.8	Very low	104 Å²	104	122.1 Å²	122.1	73%	0.727	78%	0.78	S	S	*	*			trans	58.8	144.4	143.6	-72.1	0	0	0	0	121.3
287	E	28.7	Very low	32.6	Very low	158 Å²	158	122.8 Å²	122.8	74%	0.738	79%	0.786	S	S	*	*			cis	-158.7	151.7	-5	-147.8	146	115.1	0	0	113.9
288	I	31.7	Very low	32.3	Very low	137 Å²	137	122.6 Å²	122.6	70%	0.703	79%	0.785	S	S	*	*			trans	28.3	110.7	152.5	-62.8	171.6	0	0	0	121.6
289	E	27.8	Very low	32.3	Very low	184 Å²	184	122.7 Å²	122.7	86%	0.86	79%	0.786	S	S	*	*				59.6	159.7	120.4	-136.3	166.7	160.2	0	0	124.4
290	V	32.3	Very low	31.9	Very low	127 Å²	127	127.4 Å²	127.4	77%	0.77	79%	0.792	S	S	*	*			trans	-106	-176.2	-172.9	-115.9	0	0	0	0	110.5
291	P	53.7	Low	31.6	Very low	113 Å²	113	127.7 Å²	127.7	73%	0.734	79%	0.789	S	S	*	*			cis	-135.4	-163.6	-11.9	34	-11.6	0	0	0	114.5
292	L	25.2	Very low	31.2	Very low	154 Å²	154	131.2 Å²	131.2	81%	0.806	79%	0.79	S	S	*	*			trans	125.1	161.2	134.2	-149.1	66.3	0	0	0	117.1
293	L	29.8	Very low	31.1	Very low	160 Å²	160	133.4 Å²	133.4	84%	0.838	79%	0.792	S	S	*	*			trans	-63.9	159.3	-175.7	-67.4	66.9	0	0	0	114.1
294	G	25.3	Very low	31.7	Very low	68 Å²	68	128.8 Å²	128.8	70%	0.701	78%	0.78	S	S	*	*			trans	171.5	130	140.7	0	0	0	0	0	119.8
295	S	30.6	Very low	31.4	Very low	132 Å²	132	130.9 Å²	130.9	92%	0.923	78%	0.781	S	S	*	*			trans	78.2	151.4	137.4	-59.6	0	0	0	0	122.6
296	S	31.7	Very low	31.3	Very low	128 Å²	128	133.1 Å²	133.1	90%	0.895	79%	0.786	S	S	*	*			trans	-96.7	158	169.3	-47.8	0	0	0	0	110.8
297	G	26.3	Very low	31	Very low	80 Å²	80	133.2 Å²	133.2	83%	0.825	79%	0.786	S	S	*	*			trans	176.2	122.5	167.7	0	0	0	0	0	115.8
298	S	30.6	Very low	31	Very low	123 Å²	123	131.6 Å²	131.6	86%	0.86	79%	0.792	S	S	*	*			trans	-87.2	162.2	153.7	-77.9	0	0	0	0	108.5
299	S	33.7	Very low	31	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	80%	0.798	S	S	*	*			cis	177	149.5	-5.2	45	0	0	0	0	108.3
300	E	27.6	Very low	31.6	Very low	192 Å²	192	130.9 Å²	130.9	90%	0.897	79%	0.793	S	S	*	*			trans	-172.9	171.7	153.3	-117.2	-176.4	106.5	0	0	116.2
301	V	29.1	Very low	31.5	Very low	123 Å²	123	129.8 Å²	129.8	75%	0.745	79%	0.791	S	S	*	*			trans	67.7	83.5	166	-152.3	0	0	0	0	122.4
302	E	25.7	Very low	30.5	Very low	164 Å²	164	129.7 Å²	129.7	77%	0.766	79%	0.793	S	S	*	*				39.8	105.7	110.5	-161.1	163.3	178	0	0	124.7
303	L	32.5	Very low	30.6	Very low	152 Å²	152	130.2 Å²	130.2	80%	0.796	79%	0.791	S	S	*	*			trans	60.8	168	130.5	-66.5	-176.1	0	0	0	121.7
304	P	45.4	Very low	30.4	Very low	101 Å²	101	128.3 Å²	128.3	66%	0.656	79%	0.787	S	S	*	*			cis	-145.8	-177.9	21.3	43.4	-21.7	0	0	0	120.9
305	L	25.5	Very low	30.6	Very low	150 Å²	150	129.8 Å²	129.8	79%	0.785	79%	0.792	S	S	*	*			trans	74	145.2	164.8	-50.2	179	0	0	0	117.9
306	L	30.4	Very low	30.6	Very low	142 Å²	142	128.6 Å²	128.6	74%	0.743	78%	0.784	S	S	*	*			cis	-162.6	163	-5.4	-118.3	171.4	0	0	0	113.6
307	S	26.3	Very low	30.7	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	78%	0.779	S	S	*	*			trans	71.7	149.5	159.8	77.3	0	0	0	0	119.9
308	S	29.5	Very low	30.7	Very low	124 Å²	124	127.2 Å²	127.2	87%	0.867	77%	0.771	S	S	*	*			cis	-160.5	164.6	-15.1	-104.5	0	0	0	0	114.5
309	K	30.9	Very low	30.8	Very low	190 Å²	190	129.5 Å²	129.5	83%	0.826	77%	0.773	S	S	*	*			trans	-65.5	170	-175.3	-95.6	172.1	-179.4	174.4	0	116.7
310	P	41.4	Very low	30.8	Very low	116 Å²	116	130 Å²	130	75%	0.753	77%	0.772	S	S	*	*			cis	-122.8	170	42.7	11.1	16	0	0	0	116
311	S	30.6	Very low	31	Very low	104 Å²	104	125.7 Å²	125.7	73%	0.727	76%	0.763	S	S	*	*				73.1	143.1	50.7	-43.4	0	0	0	0	114.5
312	S	31.4	Very low	31.1	Very low	112 Å²	112	128.9 Å²	128.9	78%	0.783	77%	0.767	S	S	*	*			cis	-170.8	-176.9	-20	-168	0	0	0	0	109.7
313	E	27.3	Very low	31.2	Very low	165 Å²	165	127.1 Å²	127.1	77%	0.771	77%	0.767	S	S	*	*			trans	96.1	105.6	153.4	-53.9	-133	81.1	0	0	124.1
314	T	26.4	Very low	31.2	Very low	120 Å²	120	124.7 Å²	124.7	74%	0.736	76%	0.763	S	S	*	*				66.2	132.2	110.2	-41	0	0	0	0	124.7
315	A	30.1	Very low	30.8	Very low	98 Å²	98	124.6 Å²	124.6	81%	0.81	77%	0.765	S	S	*	*			trans	69.7	145.2	161.4	0	0	0	0	0	118.2
316	S	30.9	Very low	31.1	Very low	108 Å²	108	125.8 Å²	125.8	76%	0.755	77%	0.766	S	S	*	*			cis	-159.4	174.8	3.2	102.7	0	0	0	0	108.5
317	S	32.7	Very low	31.1	Very low	113 Å²	113	122 Å²	122	79%	0.79	76%	0.756	S	S	*	*			cis	-176.9	172.4	-19.3	53.6	0	0	0	0	108.4
318	G	26.4	Very low	31.3	Very low	65 Å²	65	122.2 Å²	122.2	67%	0.67	76%	0.757	S	S	*	*			trans	127.7	89.8	162.7	0	0	0	0	0	119.7
319	L	33.5	Very low	31.4	Very low	172 Å²	172	122.2 Å²	122.2	90%	0.901	75%	0.752	S	S	*	*			trans	43.4	134.9	131.8	-64.7	167.9	0	0	0	120.8
320	T	33	Very low	31.5	Very low	115 Å²	115	117.8 Å²	117.8	71%	0.706	75%	0.745	S	S	*	*			cis	-148.6	155	19.8	49.5	0	0	0	0	114.5
321	S	32.6	Very low	31	Very low	101 Å²	101	117.6 Å²	117.6	71%	0.706	75%	0.746	S	S	*	*			trans	40.4	146.3	142.9	63	0	0	0	0	123.8
322	K	29.6	Very low	31	Very low	190 Å²	190	117.5 Å²	117.5	83%	0.826	75%	0.746	S	S	*	*			cis	-166.7	144.6	-12.8	-111.7	-176.9	179	-179.6	0	109.1
323	T	29.2	Very low	31	Very low	126 Å²	126	118.9 Å²	118.9	77%	0.773	75%	0.749	S	S	*	*				32.5	135.8	123.8	-45.1	0	0	0	0	119.1
324	S	31.9	Very low	31.3	Very low	101 Å²	101	115.8 Å²	115.8	71%	0.706	75%	0.752	S	S	*	*			cis	-139.2	156.6	23	43.7	0	0	0	0	112
325	S	37.8	Very low	31.7	Very low	99 Å²	99	119.1 Å²	119.1	69%	0.692	76%	0.756	S	S	*	*				63.3	132.2	56.2	-76	0	0	0	0	112.4
326	E	30.6	Very low	31.7	Very low	175 Å²	175	121.7 Å²	121.7	82%	0.818	76%	0.756	S	S	*	*			cis	-160.1	172.5	8.1	-83.4	-100.8	116.4	0	0	108.2
327	A	31.5	Very low	31.8	Very low	63 Å²	63	122.6 Å²	122.6	52%	0.521	76%	0.763	S	S	.	*			cis	-174.7	169.6	-27.3	0	0	0	0	0	110.4
328	S	29.2	Very low	32.1	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	76%	0.762	S	S	*	*			trans	69.4	149.9	148	-63.3	0	0	0	0	121
329	V	32.8	Very low	32.7	Very low	125 Å²	125	124.7 Å²	124.7	76%	0.758	77%	0.767	S	S	*	*			cis	-156.1	144.8	-12.8	-101.8	0	0	0	0	112.8
330	S	32	Very low	32.7	Very low	96 Å²	96	122.1 Å²	122.1	67%	0.671	76%	0.763	S	S	*	*			trans	39	130.1	132.1	-45	0	0	0	0	125.7
331	S	31.4	Very low	32.5	Very low	112 Å²	112	119.8 Å²	119.8	78%	0.783	76%	0.762	S	S	*	*				74.4	154.8	119.8	69.4	0	0	0	0	122.3
332	S	30.9	Very low	32.5	Very low	103 Å²	103	121.6 Å²	121.6	72%	0.72	77%	0.769	S	S	*	*			cis	-174.4	147	-21.2	52.8	0	0	0	0	113.3
333	V	31.7	Very low	32.4	Very low	140 Å²	140	117.8 Å²	117.8	85%	0.848	77%	0.766	S	S	*	*			trans	34.8	126.2	144.5	-174.3	0	0	0	0	122.3
334	A	34	Very low	32.3	Very low	101 Å²	101	119.1 Å²	119.1	84%	0.835	77%	0.767	S	S	*	*			trans	-163.1	176.9	147.6	0	0	0	0	0	113.1
335	K	34.6	Very low	32.1	Very low	190 Å²	190	121 Å²	121	83%	0.826	77%	0.769	S	S	*	*			trans	-138	158.1	-168.4	-67.1	-179.2	179.8	175.6	0	116.4
336	N	29	Very low	31.9	Very low	152 Å²	152	122 Å²	122	81%	0.813	77%	0.771	S	S	*	*			trans	60.5	125.7	147.8	-77.3	35.6	0	0	0	123.7
337	S	34	Very low	32.2	Very low	127 Å²	127	120 Å²	120	89%	0.888	77%	0.773	S	S	*	*				-172.9	-169.4	119.7	37.4	0	0	0	0	111
338	S	38.4	Very low	32.2	Very low	112 Å²	112	126.7 Å²	126.7	78%	0.783	79%	0.791	S	S	*	*			trans	-141.1	179.7	-138.8	57.4	0	0	0	0	119.2
339	S	39.6	Very low	32.2	Very low	110 Å²	110	126.6 Å²	126.6	77%	0.769	79%	0.79	S	S	*	*			trans	90.6	150.8	167.6	97.1	0	0	0	0	116.4
340	S	32.3	Very low	31.9	Very low	118 Å²	118	125.7 Å²	125.7	83%	0.825	79%	0.789	S	S	*	*			cis	-153.8	161.6	6.3	-73.5	0	0	0	0	113.7
341	G	28.8	Very low	31.7	Very low	65 Å²	65	126.2 Å²	126.2	67%	0.67	79%	0.793	S	S	*	*			trans	102.6	117.5	161.4	0	0	0	0	0	116.9
342	T	32.7	Very low	31.6	Very low	140 Å²	140	126 Å²	126	86%	0.859	79%	0.791	S	S	*	*				66.5	125	63.6	65.8	0	0	0	0	114
343	S	28	Very low	31.4	Very low	109 Å²	109	127.2 Å²	127.2	76%	0.762	80%	0.795	S	S	*	*			cis	-152.7	143.1	15.8	-70.7	0	0	0	0	110.1
344	L	27	Very low	31.3	Very low	154 Å²	154	126.2 Å²	126.2	81%	0.806	79%	0.793	S	S	*	*				80.1	136.5	78.4	-150.2	80	0	0	0	116.8
345	L	27.8	Very low	31	Very low	141 Å²	141	127.5 Å²	127.5	74%	0.738	79%	0.791	S	S	*	*			trans	87.1	103.8	165.1	-55.5	-175.3	0	0	0	121.9
346	T	32.8	Very low	30.6	Very low	121 Å²	121	123.4 Å²	123.4	74%	0.742	79%	0.786	S	S	*	*				16.1	144.4	118.8	63.8	0	0	0	0	120.2
347	P	37.3	Very low	30.7	Very low	132 Å²	132	123.1 Å²	123.1	86%	0.857	78%	0.784	S	S	*	*				-139.6	159.8	87.5	39	-27.2	0	0	0	116.6
348	K	31.8	Very low	30.8	Very low	204 Å²	204	124.1 Å²	124.1	89%	0.887	78%	0.779	S	S	*	*			trans	-145.9	110.9	165.4	175.9	-178.1	177.3	178.8	0	109.5
349	S	29.1	Very low	30.4	Very low	107 Å²	107	124.9 Å²	124.9	75%	0.748	78%	0.779	S	S	*	*			trans	-166	125.3	175.5	-93.8	0	0	0	0	107.3
350	S	26.6	Very low	30	Very low	105 Å²	105	124.5 Å²	124.5	73%	0.734	78%	0.776	S	S	*	*				67.4	132.5	80.3	82.2	0	0	0	0	113.4
351	S	29.1	Very low	30.2	Very low	108 Å²	108	128.8 Å²	128.8	76%	0.755	78%	0.78	S	S	*	*			cis	-167.5	-155	1.2	53.2	0	0	0	0	110.3
352	S	29.2	Very low	30.5	Very low	106 Å²	106	130.1 Å²	130.1	74%	0.741	78%	0.779	S	S	*	*			trans	75.5	126.5	-176.2	73.9	0	0	0	0	115.2
353	T	26.6	Very low	30.5	Very low	130 Å²	130	129.7 Å²	129.7	80%	0.798	78%	0.776	S	S	*	*				70.3	107.8	61.6	-45.2	0	0	0	0	111.1
354	S	28.1	Very low	31.2	Very low	118 Å²	118	129 Å²	129	83%	0.825	77%	0.772	S	S	*	*				-169	178	92.2	-67.5	0	0	0	0	113.6
355	T	27.4	Very low	31.6	Very low	129 Å²	129	131.2 Å²	131.2	79%	0.791	78%	0.778	S	S	*	*			trans	-98.1	150.2	-171.5	51	0	0	0	0	115.8
356	S	28	Very low	31.8	Very low	103 Å²	103	130.8 Å²	130.8	72%	0.72	78%	0.781	S	S	*	*			trans	69	118.6	139.3	-64.5	0	0	0	0	123.5
357	L	30.5	Very low	31.7	Very low	147 Å²	147	129.4 Å²	129.4	77%	0.77	78%	0.782	S	S	*	*				73.8	111.8	124.8	-60.9	174.5	0	0	0	123.3
358	L	36.5	Very low	31.6	Very low	148 Å²	148	127.3 Å²	127.3	78%	0.775	78%	0.776	S	S	*	*				92.6	151.1	125.9	-69.4	172.5	0	0	0	124
359	T	29.8	Very low	31.5	Very low	128 Å²	128	123.2 Å²	123.2	79%	0.785	77%	0.773	S	S	*	*			trans	77.3	155.7	169.8	91.8	0	0	0	0	115.9
360	S	30.8	Very low	31.9	Very low	102 Å²	102	126 Å²	126	71%	0.713	78%	0.779	S	S	*	*			cis	-150.8	142.8	14.5	-89.8	0	0	0	0	114.6
361	K	36.4	Very low	32.3	Very low	207 Å²	207	129.1 Å²	129.1	90%	0.9	79%	0.786	S	S	*	*			trans	60.7	177.4	153.4	-114.6	169	-175.1	172.8	0	116.3
362	S	35.8	Very low	32.3	Very low	94 Å²	94	128.6 Å²	128.6	66%	0.657	79%	0.788	S	S	*	*			cis	-152.8	-176.6	-5.2	-154	0	0	0	0	107.6
363	T	32.9	Very low	32.3	Very low	130 Å²	130	129 Å²	129	80%	0.798	79%	0.791	S	S	*	*			cis	-150.7	171.2	8.4	-68.5	0	0	0	0	109
364	S	41.1	Very low	32.4	Very low	95 Å²	95	133 Å²	133	66%	0.664	80%	0.798	S	S	*	*			trans	-85.3	155.3	-171.1	-33.1	0	0	0	0	118.5
365	Q	35.3	Very low	32.3	Very low	200 Å²	200	132.2 Å²	132.2	94%	0.935	79%	0.792	S	S	*	*				-147	157.8	113.1	-74.7	-143	14.6	0	0	109
366	V	33.3	Very low	32.4	Very low	132 Å²	132	131.4 Å²	131.4	80%	0.8	79%	0.792	S	S	*	*			trans	-145.4	131.2	-158.2	-173.6	0	0	0	0	115.2
367	A	31.1	Very low	32.5	Very low	92 Å²	92	131.1 Å²	131.1	76%	0.76	79%	0.79	S	S	*	*			trans	-155.3	146.7	153.6	0	0	0	0	0	108.4
368	A	33.7	Very low	32.4	Very low	89 Å²	89	132.1 Å²	132.1	74%	0.736	79%	0.79	S	S	*	*			cis	91.4	120.7	12	0	0	0	0	0	116.2
369	S	30.6	Very low	32	Very low	118 Å²	118	131 Å²	131	83%	0.825	79%	0.789	S	S	*	*			cis	-158.5	154.5	-7.2	-91	0	0	0	0	112.6
370	L	37.7	Very low	31.9	Very low	166 Å²	166	130.3 Å²	130.3	87%	0.869	79%	0.79	S	S	*	*			trans	-86.4	149.5	154	-70.7	167.5	0	0	0	109.5
371	L	35.4	Very low	31.8	Very low	169 Å²	169	129.3 Å²	129.3	89%	0.885	80%	0.796	S	S	*	*			trans	174.8	134.4	146.3	-103.7	164.4	0	0	0	112.6
372	A	28.3	Very low	31.4	Very low	98 Å²	98	124.7 Å²	124.7	81%	0.81	79%	0.79	S	S	*	*			trans	-177.3	141.4	136.2	0	0	0	0	0	110.5
373	S	29.6	Very low	31.1	Very low	114 Å²	114	127.5 Å²	127.5	80%	0.797	80%	0.796	S	S	*	*			trans	-126	147.3	175.8	-53.5	0	0	0	0	110.4
374	K	27.7	Very low	31	Very low	215 Å²	215	127.6 Å²	127.6	94%	0.935	80%	0.797	S	S	*	*			trans	-152.3	169.1	155.2	-131.5	173.1	-178.1	178.7	0	112.1
375	S	26.8	Very low	30.4	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	80%	0.799	S	S	*	*			trans	-128.2	-176.9	-155.3	53.7	0	0	0	0	113.2
376	S	28.4	Very low	30.1	Very low	112 Å²	112	127.6 Å²	127.6	78%	0.783	79%	0.794	S	S	*	*			trans	81.1	149.2	169.2	79.9	0	0	0	0	117.5
377	S	29.8	Very low	29.9	Very low	97 Å²	97	125 Å²	125	68%	0.678	78%	0.783	S	S	*	*			cis	-173.9	156.9	-25.9	53.1	0	0	0	0	113.3
378	Q	29.8	Very low	29.8	Very low	167 Å²	167	127 Å²	127	78%	0.78	79%	0.785	S	S	*	*			trans	82.1	145.4	155.3	-51	-157.5	0.8	0	0	122.7
379	T	26.7	Very low	29.6	Very low	124 Å²	124	127 Å²	127	76%	0.761	78%	0.78	S	S	*	*			trans	71.5	157.6	159.8	75.4	0	0	0	0	119.9
380	S	28.9	Very low	29.5	Very low	114 Å²	114	129.1 Å²	129.1	80%	0.797	78%	0.781	S	S	*	*			cis	-173.4	122.5	-46	-95	0	0	0	0	110.5
381	G	28.8	Very low	29	Very low	81 Å²	81	125 Å²	125	84%	0.835	77%	0.771	S	S	*	*			trans	61.9	-169.3	165.3	0	0	0	0	0	116.6
382	S	28.7	Very low	28.8	Very low	110 Å²	110	122.4 Å²	122.4	77%	0.769	77%	0.767	S	S	*	*			cis	-166.3	128.9	-34.2	-174	0	0	0	0	110.6
383	L	29.5	Very low	28.8	Very low	153 Å²	153	123.5 Å²	123.5	80%	0.801	76%	0.763	S	S	*	*			trans	21.6	131.6	151.5	-55.1	174.2	0	0	0	122.7
384	V	29.5	Very low	29	Very low	132 Å²	132	122.4 Å²	122.4	80%	0.8	76%	0.755	S	S	*	*			trans	65.5	120.4	133.6	81.1	0	0	0	0	122.8
385	S	28.1	Very low	29.1	Very low	102 Å²	102	119.8 Å²	119.8	71%	0.713	75%	0.746	S	S	*	*				174.1	144.9	128.9	-79	0	0	0	0	110.8
386	K	28.8	Very low	29.2	Very low	193 Å²	193	122.5 Å²	122.5	84%	0.839	75%	0.752	S	S	*	*				65.1	134.5	61.8	-114.2	-164.6	174.5	-177.7	0	111.9
387	S	29.1	Very low	29.1	Very low	79 Å²	79	120.5 Å²	120.5	55%	0.552	74%	0.742	S	S	*	*			cis	-162.1	164.2	10.8	-40.7	0	0	0	0	111.6
388	T	30.4	Very low	29.2	Very low	132 Å²	132	120.3 Å²	120.3	81%	0.81	74%	0.741	S	S	*	*			trans	58.4	163.4	146.2	44.3	0	0	0	0	121.3
389	S	29	Very low	29.2	Very low	89 Å²	89	121.5 Å²	121.5	62%	0.622	74%	0.744	S	S	*	*			cis	-177.2	174.8	-38.2	54.7	0	0	0	0	109.6
390	L	29.1	Very low	29.4	Very low	164 Å²	164	120.3 Å²	120.3	86%	0.859	74%	0.74	S	S	*	*			trans	72.7	157.3	171.5	-47.1	-179.6	0	0	0	115.9
391	A	27.6	Very low	29.4	Very low	79 Å²	79	120 Å²	120	65%	0.653	74%	0.738	S	S	*	*			cis	-171.5	170	-31.8	0	0	0	0	0	109.3
392	S	30.1	Very low	29.7	Very low	114 Å²	114	119.6 Å²	119.6	80%	0.797	72%	0.723	S	S	*	*			trans	76.2	151.4	153	-58.9	0	0	0	0	118.6
393	V	29.3	Very low	30	Very low	121 Å²	121	122.5 Å²	122.5	73%	0.733	72%	0.724	S	S	*	*			cis	-165.7	154.8	-13.3	125.6	0	0	0	0	108.2
394	S	32.3	Very low	29.8	Very low	91 Å²	91	120.3 Å²	120.3	64%	0.636	72%	0.718	S	S	*	*			trans	66.6	163	160.5	-85.6	0	0	0	0	120
395	Q	30.6	Very low	29.8	Very low	160 Å²	160	119.1 Å²	119.1	75%	0.748	72%	0.715	S	S	*	*			cis	-169.4	143.3	-32.1	-116	176.8	-1.8	0	0	109.4
396	L	28.9	Very low	29.8	Very low	158 Å²	158	120.3 Å²	120.3	83%	0.827	72%	0.718	S	S	*	*			trans	61.3	168.6	151.1	-102.5	63.8	0	0	0	117.6
397	A	27.1	Very low	29.7	Very low	70 Å²	70	116 Å²	116	58%	0.579	71%	0.712	S	S	*	*			cis	-149.4	150.7	0.1	0	0	0	0	0	113.3
398	S	30.7	Very low	29.7	Very low	94 Å²	94	120.2 Å²	120.2	66%	0.657	72%	0.723	S	S	*	*			trans	66.8	159.5	139.4	-64.5	0	0	0	0	118.7
399	K	30.8	Very low	29.6	Very low	192 Å²	192	120.9 Å²	120.9	84%	0.835	72%	0.721	S	S	*	*			cis	-169.8	166.4	-16.1	-106	168.7	-171.1	176.8	0	104.8
400	S	29	Very low	29.5	Very low	98 Å²	98	122.8 Å²	122.8	69%	0.685	73%	0.731	S	S	*	*			cis	-158.2	155.3	-12	-173.9	0	0	0	0	104.3
401	S	31	Very low	29.4	Very low	107 Å²	107	120.2 Å²	120.2	75%	0.748	73%	0.727	S	S	*	*				146.5	145.1	92.3	-170.1	0	0	0	0	107.4
402	S	33.8	Very low	29.4	Very low	74 Å²	74	125.9 Å²	125.9	52%	0.517	74%	0.737	S	S	.	*			cis	-162.5	140.2	-20.3	-88.6	0	0	0	0	109.2
403	Q	35.2	Very low	29.2	Very low	171 Å²	171	124.9 Å²	124.9	80%	0.799	73%	0.73	S	S	*	*			trans	61.2	157	136	-59.7	176.8	47	0	0	118.9
404	T	25.5	Very low	29	Very low	107 Å²	107	125.3 Å²	125.3	66%	0.656	73%	0.733	S	S	*	*			cis	-142.2	136	7.3	-2.7	0	0	0	0	107.9
405	S	29.2	Very low	29	Very low	106 Å²	106	126.5 Å²	126.5	74%	0.741	74%	0.741	S	S	*	*				60.7	132.8	102.8	-54.4	0	0	0	0	114.7
406	T	27.9	Very low	28.9	Very low	127 Å²	127	128.2 Å²	128.2	78%	0.779	75%	0.749	S	S	*	*			cis	-141.5	134.1	38.6	38.7	0	0	0	0	112.7
407	S	28.2	Very low	29.1	Very low	103 Å²	103	126.5 Å²	126.5	72%	0.72	75%	0.75	S	S	*	*				69.9	128.5	91.8	-105.9	0	0	0	0	114.7
408	Q	27.8	Very low	29	Very low	168 Å²	168	128.4 Å²	128.4	79%	0.785	76%	0.759	S	S	*	*			cis	-149.6	160.5	6.1	-69	-171.7	-21.2	0	0	114.5
409	L	27.7	Very low	29.2	Very low	146 Å²	146	132.9 Å²	132.9	76%	0.764	77%	0.77	S	S	*	*			trans	30.8	132.6	152.6	-101.8	68.9	0	0	0	123.5
410	P	28.3	Very low	29.1	Very low	128 Å²	128	128.9 Å²	128.9	83%	0.831	77%	0.766	S	S	*	*			trans	-112.2	147.6	142.5	36.7	-28.3	0	0	0	112.7
411	S	26.7	Very low	29.3	Very low	110 Å²	110	128.5 Å²	128.5	77%	0.769	77%	0.769	S	S	*	*			trans	-107.8	145.9	178	-68.7	0	0	0	0	113.3
412	K	27.5	Very low	29.3	Very low	198 Å²	198	127.8 Å²	127.8	86%	0.861	76%	0.76	S	S	*	*			trans	-59.1	153.6	162.2	-115.5	179.6	-180	178.1	0	110.1
413	S	25.8	Very low	29.4	Very low	93 Å²	93	133.8 Å²	133.8	65%	0.65	78%	0.777	S	S	*	*			cis	-156.4	-175.9	19.5	-72.1	0	0	0	0	111.6
414	T	25.8	Very low	29.2	Very low	130 Å²	130	132.9 Å²	132.9	80%	0.798	77%	0.77	S	S	*	*			trans	96.9	112.1	146.9	-50.9	0	0	0	0	116.9
415	S	31.1	Very low	29.7	Very low	117 Å²	117	132 Å²	132	82%	0.818	77%	0.769	S	S	*	*			trans	-79.1	139.9	172.9	-47.5	0	0	0	0	111.8
416	Q	29.3	Very low	30.4	Very low	196 Å²	196	129.7 Å²	129.7	92%	0.916	75%	0.752	S	S	*	*			trans	-128.7	161	150.7	-75.4	-166.6	-16.1	0	0	109.2
417	S	32.3	Very low	31.9	Very low	121 Å²	121	129.1 Å²	129.1	85%	0.846	74%	0.739	S	S	*	*			trans	-108.6	122.3	-162.2	167.6	0	0	0	0	112.6
418	S	26.5	Very low	33.9	Very low	110 Å²	110	125.2 Å²	125.2	77%	0.769	71%	0.71	S	S	*	*			trans	-152.8	135.4	155.7	49.4	0	0	0	0	112.8
419	E	34.7	Very low	36.3	Very low	189 Å²	189	120.2 Å²	120.2	88%	0.883	69%	0.691	S	S	*	*			trans	20.2	103.6	158.2	-56.4	-168.7	109.3	0	0	120.4
420	S	28.7	Very low	38.9	Very low	107 Å²	107	117.9 Å²	117.9	75%	0.748	68%	0.679	S	S	*	*			trans	-95.1	86.6	152	59.4	0	0	0	0	110.2	V422	S420-V422 PolarHBondContact O-N 3.1Å
421	A	32	Very low	41.6	Very low	91 Å²	91	117 Å²	117	75%	0.752	66%	0.664	S	S	*	*			trans	-63.9	100.8	171.2	0	0	0	0	0	110	K423	A421-K423 PolarHBondContact O-N 3.28Å
422	V	30.6	Very low	44.3	Very low	92 Å²	92	113 Å²	113	56%	0.558	63%	0.634	S	S	*	*			trans	-68.3	115.3	-172.5	-178.4	0	0	0	0	110.3	S420 F424	S420-V422 PolarHBondContact O-N 3.1Å; V422-F424 VanDerWaalsContact C-N 3.29Å; V422-F424 HydrophobicContact CB-CD2 3.87Å; V422-F424 HydrophobicContact CB-CE2 3.59Å; V422-F424 HydrophobicContact CB-CZ 4.13Å; V422-F424 HydrophobicContact CG1-CD1 4.11Å; V422-F424 HydrophobicContact CG1-CD2 3.71Å; V422-F424 HydrophobicContact CG1-CE1 3.95Å; V422-F424 HydrophobicContact CG1-CE2 3.53Å; V422-F424 HydrophobicContact CG1-CG 4Å; V422-F424 HydrophobicContact CG1-CZ 3.66Å; V422-F424 HydrophobicContact CG2-CE2 4.41Å; V422-F424 WeakPolarHBondContact O-CD2 3.33Å; V422-F424 PolarHBondContact O-N 2.96Å
423	K	36.5	Very low	47.1	Very low	200 Å²	200	104.4 Å²	104.4	87%	0.87	60%	0.598	S	S	*	*			trans	-70.9	81.5	172.2	-69.6	-176.3	177.6	-179.8	0	110.4	A421 S425	A421-K423 PolarHBondContact O-N 3.28Å; K423-S425 PolarHBondContact O-N 2.9Å
424	F	30.3	Very low	50.1	Low	151 Å²	151	105.4 Å²	105.4	66%	0.662	59%	0.591	S	S	*	*			trans	-70.9	64.7	175.1	-76.2	-73.3	0	0	0	112.9	V422 C426	V422-F424 VanDerWaalsContact C-N 3.29Å; V422-F424 HydrophobicContact CB-CD2 3.87Å; V422-F424 HydrophobicContact CB-CE2 3.59Å; V422-F424 HydrophobicContact CB-CZ 4.13Å; V422-F424 HydrophobicContact CG1-CD1 4.11Å; V422-F424 HydrophobicContact CG1-CD2 3.71Å; V422-F424 HydrophobicContact CG1-CE1 3.95Å; V422-F424 HydrophobicContact CG1-CE2 3.53Å; V422-F424 HydrophobicContact CG1-CG 4Å; V422-F424 HydrophobicContact CG1-CZ 3.66Å; V422-F424 HydrophobicContact CG2-CE2 4.41Å; V422-F424 WeakPolarHBondContact O-CD2 3.33Å; V422-F424 PolarHBondContact O-N 2.96Å; F424-C426 PolarHBondContact O-N 3.46Å
425	S	37.9	Very low	53.1	Low	89 Å²	89	106.2 Å²	106.2	62%	0.622	59%	0.585	S	S	*	*			trans	-78.2	58.6	164.7	-163.5	0	0	0	0	110.3	K423 K427	K423-S425 PolarHBondContact O-N 2.9Å; S425-K427 PolarHBondContact O-N 2.88Å
426	C	42.1	Very low	55.9	Low	58 Å²	58	102 Å²	102	39%	0.392	55%	0.552	S	S	.	*			trans	-77.8	107.4	171.4	-165.5	0	0	0	0	108.1	F424 Q577	F424-C426 PolarHBondContact O-N 3.46Å; C426-Q577 PolarHBondContact O-NE2 3.04Å
427	K	60.9	Low	58.9	Low	114 Å²	114	94.1 Å²	94.1	50%	0.496	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-80.2	131	170.3	-61.6	-172.3	-178.1	-177.7	0	108	D25 S425 T429	D25-K427 IonicContact OD2-NZ 3.08Å; D25-K427 PolarHBondContact OD2-NZ 3.49Å; S425-K427 PolarHBondContact O-N 2.88Å; K427-T429 WeakPolarHBondContact O-CG2 3.49Å; K427-T429 PolarHBondContact O-N 3.32Å
428	L	70.6	Confident	61.8	Low	22 Å²	22	92.1 Å²	92.1	12%	0.115	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-61.3	127	-177.7	-71.6	169.7	0	0	0	110.3	I544 E555 L557 L580	L428-I544 HydrophobicContact CB-CD1 3.88Å; L428-I544 HydrophobicContact CB-CG1 4.1Å; L428-I544 WeakPolarHBondContact O-CD1 3.32Å; L428-E555 HydrophobicContact CD1-CB 4.37Å; L428-E555 WeakPolarHBondContact CD1-O 3.47Å; L428-L557 HydrophobicContact CD1-CG 4.12Å; L428-L557 HydrophobicContact CD2-CD1 3.82Å; L428-L557 HydrophobicContact CD2-CG 3.93Å; L428-L580 HydrophobicContact CD2-CD1 4.13Å
429	T	78.2	Confident	65	Low	62 Å²	62	88.2 Å²	88.2	38%	0.38	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-103.5	162.6	-174.2	75.2	0	0	0	0	112.1	K427 E431 D432 I544	K427-T429 WeakPolarHBondContact O-CG2 3.49Å; K427-T429 PolarHBondContact O-N 3.32Å; T429-E431 PolarHBondContact O-N 2.89Å; T429-E431 PolarHBondContact OG1-N 3.43Å; T429-D432 WeakPolarHBondContact CA-OD2 3.45Å; T429-D432 WeakPolarHBondContact CB-OD2 3.47Å; T429-D432 PolarHBondContact N-OD2 2.9Å; T429-D432 WeakPolarHBondContact O-CB 3.38Å; T429-D432 PolarHBondContact O-N 3.43Å; T429-D432 PolarHBondContact OG1-N 3.13Å; T429-D432 PolarHBondContact OG1-OD2 2.96Å; T429-I544 WeakPolarHBondContact O-CD1 3.33Å
430	N	81.6	Confident	67.8	Low	98 Å²	98	79.2 Å²	79.2	52%	0.524	43%	0.426	S	S	.	.	H	α-helix	trans	-65.4	-20.7	170.9	-161.5	-107.1	0	0	0	112.4	V433 K434	N430-V433 WeakPolarHBondContact O-CB 3.23Å; N430-V433 PolarHBondContact O-N 3Å; N430-K434 WeakPolarHBondContact O-CG 3.36Å; N430-K434 PolarHBondContact O-N 2.81Å; N430-K434 VanDerWaalsContact OD1-CE 3.25Å; N430-K434 WeakPolarHBondContact OD1-CE 3.35Å
431	E	84.3	Confident	70.9	Confident	110 Å²	110	77.2 Å²	77.2	51%	0.514	41%	0.407	S	S	.	.	H	α-helix	trans	-72.3	-36	175.2	-52.7	-42.1	109.8	0	0	111.8	T429 V433 K434 Q435	T429-E431 PolarHBondContact O-N 2.89Å; T429-E431 PolarHBondContact OG1-N 3.43Å; E431-V433 VanDerWaalsContact C-N 3.26Å; E431-V433 PolarHBondContact O-N 3.28Å; E431-K434 PolarHBondContact O-N 3.46Å; E431-K434 IonicContact OE1-NZ 2.63Å; E431-K434 PolarHBondContact OE1-NZ 3.36Å; E431-K434 VanDerWaalsContact OE2-CD 3.23Å; E431-K434 WeakPolarHBondContact OE2-CD 3.43Å; E431-K434 IonicContact OE2-NZ 3.68Å; E431-K434 PolarHBondContact OE2-NZ 2.78Å; E431-Q435 VanDerWaalsContact O-CB 3.3Å; E431-Q435 WeakPolarHBondContact O-CB 3.36Å; E431-Q435 PolarHBondContact O-N 2.85Å
432	D	83.6	Confident	73.8	Confident	26 Å²	26	80.6 Å²	80.6	14%	0.139	40%	0.401	C	S	.	.	H	α-helix	trans	-58.9	-40.5	172.1	-62.1	-75.8	0	0	0	111.6	T429 K436 L557	T429-D432 WeakPolarHBondContact CA-OD2 3.45Å; T429-D432 WeakPolarHBondContact CB-OD2 3.47Å; T429-D432 PolarHBondContact N-OD2 2.9Å; T429-D432 WeakPolarHBondContact O-CB 3.38Å; T429-D432 PolarHBondContact O-N 3.43Å; T429-D432 PolarHBondContact OG1-N 3.13Å; T429-D432 PolarHBondContact OG1-OD2 2.96Å; D432-K436 WeakPolarHBondContact O-CB 3.29Å; D432-K436 WeakPolarHBondContact O-CD 3.44Å; D432-K436 VanDerWaalsContact O-CG 3.27Å; D432-K436 WeakPolarHBondContact O-CG 3.44Å; D432-K436 PolarHBondContact O-N 2.74Å; D432-L557 HydrophobicContact CB-CD1 4.44Å
433	V	87.3	Confident	76.8	Confident	17 Å²	17	76.2 Å²	76.2	10%	0.103	37%	0.374	C	S	.	.	H	α-helix	trans	-63.1	-51.2	175	176.7	0	0	0	0	110.5	N430 E431 Q435 K436 Q437 V542 I544 L557	N430-V433 WeakPolarHBondContact O-CB 3.23Å; N430-V433 PolarHBondContact O-N 3Å; E431-V433 VanDerWaalsContact C-N 3.26Å; E431-V433 PolarHBondContact O-N 3.28Å; V433-Q435 VanDerWaalsContact C-N 3.33Å; V433-Q435 PolarHBondContact O-N 2.75Å; V433-K436 PolarHBondContact O-N 2.93Å; V433-Q437 VanDerWaalsContact O-CB 3.31Å; V433-Q437 WeakPolarHBondContact O-CB 2.99Å; V433-Q437 PolarHBondContact O-N 2.94Å; V433-V542 HydrophobicContact CG1-CB 4.22Å; V433-V542 HydrophobicContact CG1-CG1 4.37Å; V433-V542 WeakPolarHBondContact CG1-O 3.32Å; V433-I544 HydrophobicContact CG2-CD1 4.01Å; V433-I544 HydrophobicContact CG2-CG1 3.74Å; V433-L557 HydrophobicContact CG2-CD2 3.72Å
434	K	87.9	Confident	79.6	Confident	114 Å²	114	69.6 Å²	69.6	50%	0.496	34%	0.344	S	S	.	.	H	α-helix	trans	-60.4	-39.5	178.1	-71.6	162.7	176.7	167.8	0	112.6	N430 E431 P438	N430-K434 WeakPolarHBondContact O-CG 3.36Å; N430-K434 PolarHBondContact O-N 2.81Å; N430-K434 VanDerWaalsContact OD1-CE 3.25Å; N430-K434 WeakPolarHBondContact OD1-CE 3.35Å; E431-K434 PolarHBondContact O-N 3.46Å; E431-K434 IonicContact OE1-NZ 2.63Å; E431-K434 PolarHBondContact OE1-NZ 3.36Å; E431-K434 VanDerWaalsContact OE2-CD 3.23Å; E431-K434 WeakPolarHBondContact OE2-CD 3.43Å; E431-K434 IonicContact OE2-NZ 3.68Å; E431-K434 PolarHBondContact OE2-NZ 2.78Å; K434-P438 WeakPolarHBondContact O-CD 3.47Å
435	Q	88.3	Confident	82.6	Confident	147 Å²	147	69.1 Å²	69.1	69%	0.687	34%	0.342	S	S	*	.	H	α-helix	trans	-68.9	-39.3	-179.9	-167.7	-167.9	35.1	0	0	111.7	E431 V433	E431-Q435 VanDerWaalsContact O-CB 3.3Å; E431-Q435 WeakPolarHBondContact O-CB 3.36Å; E431-Q435 PolarHBondContact O-N 2.85Å; V433-Q435 VanDerWaalsContact C-N 3.33Å; V433-Q435 PolarHBondContact O-N 2.75Å
436	K	90	Very high	85.2	Confident	27 Å²	27	66.2 Å²	66.2	12%	0.117	32%	0.321	C	S	.	.	H	α-helix	trans	-83.9	-29.9	-177.5	-65.1	168.2	-167.7	-86.9	0	112.6	D432 V433 F439 F440 K508 V510 L557	D432-K436 WeakPolarHBondContact O-CB 3.29Å; D432-K436 WeakPolarHBondContact O-CD 3.44Å; D432-K436 VanDerWaalsContact O-CG 3.27Å; D432-K436 WeakPolarHBondContact O-CG 3.44Å; D432-K436 PolarHBondContact O-N 2.74Å; V433-K436 PolarHBondContact O-N 2.93Å; K436-F439 WeakPolarHBondContact O-CB 3.4Å; K436-F439 PolarHBondContact O-N 2.8Å; K436-F439 VanDerWaalsContact O-N 3.1Å; K436-F440 HydrophobicContact CB-CD2 4.49Å; K436-F440 HydrophobicContact CB-CE2 4.3Å; K436-F440 WeakPolarHBondContact O-CD2 3Å; K436-F440 PolarHBondContact O-N 3.3Å; K436-K508 PolarHBondContact NZ-O 2.9Å; K436-V510 HydrophobicContact CB-CG2 4.39Å; K436-V510 HydrophobicContact CD-CG2 3.75Å; K436-L557 HydrophobicContact CD-CD1 3.69Å
437	Q	93.3	Very high	87.7	Confident	32 Å²	32	63.5 Å²	63.5	15%	0.15	30%	0.302	C	S	.	.	H	α-helix	trans	-53.5	-43.8	-177.8	-178.8	69.4	51.9	0	0	115.3	V433 F439 F440 N441 V540 V541	V433-Q437 VanDerWaalsContact O-CB 3.31Å; V433-Q437 WeakPolarHBondContact O-CB 2.99Å; V433-Q437 PolarHBondContact O-N 2.94Å; Q437-F439 VanDerWaalsContact C-N 3.25Å; Q437-F439 PolarHBondContact O-N 2.85Å; Q437-F440 PolarHBondContact O-N 2.93Å; Q437-F440 VanDerWaalsContact O-N 3.14Å; Q437-N441 PolarHBondContact NE2-OD1 2.81Å; Q437-N441 PolarHBondContact O-N 2.7Å; Q437-V540 PolarHBondContact NE2-O 2.86Å; Q437-V541 VanDerWaalsContact OE1-CA 3.27Å
438	P	92.8	Very high	89.2	Confident	79 Å²	79	59.6 Å²	59.6	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-60.8	-32	178.1	-26.1	35.1	0	0	0	113.7	K434 R442	K434-P438 WeakPolarHBondContact O-CD 3.47Å; P438-R442 PolarHBondContact O-N 2.84Å; P438-R442 VanDerWaalsContact O-N 3.14Å
439	F	93.9	Very high	90.3	Very high	27 Å²	27	68.5 Å²	68.5	12%	0.118	32%	0.323	C	S	.	.	H	α-helix	trans	-67.6	-44.2	174.4	171	-98	0	0	0	111	K436 Q437 R442 L443 L474 A476 K508	K436-F439 WeakPolarHBondContact O-CB 3.4Å; K436-F439 PolarHBondContact O-N 2.8Å; K436-F439 VanDerWaalsContact O-N 3.1Å; Q437-F439 VanDerWaalsContact C-N 3.25Å; Q437-F439 PolarHBondContact O-N 2.85Å; F439-R442 WeakPolarHBondContact O-CB 3.42Å; F439-R442 PolarHBondContact O-N 3.23Å; F439-R442 VanDerWaalsContact O-N 3.12Å; F439-L443 HydrophobicContact CE1-CD2 4.42Å; F439-L443 PolarHBondContact O-N 2.82Å; F439-L474 HydrophobicContact CE2-CB 3.76Å; F439-L474 HydrophobicContact CE2-CD1 4.21Å; F439-L474 HydrophobicContact CZ-CB 4.48Å; F439-A476 HydrophobicContact CE2-CB 3.77Å; F439-A476 HydrophobicContact CZ-CB 3.51Å; F439-K508 HydrophobicContact CD1-CD 3.95Å; F439-K508 HydrophobicContact CD2-CD 4.3Å; F439-K508 VanDerWaalsContact CD2-NZ 3.3Å; F439-K508 HydrophobicContact CE1-CD 3.96Å; F439-K508 HydrophobicContact CE1-CG 4.33Å; F439-K508 HydrophobicContact CE2-CD 4.29Å; F439-K508 HydrophobicContact CG-CD 4.12Å; F439-K508 HydrophobicContact CZ-CD 4.13Å
440	F	93.6	Very high	90.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-69.8	-32.3	177.2	-70.4	-75.7	0	0	0	113.3	K436 Q437 R442 L443 Y444 C507 V510 L512 V540 V542 L559	K436-F440 HydrophobicContact CB-CD2 4.49Å; K436-F440 HydrophobicContact CB-CE2 4.3Å; K436-F440 WeakPolarHBondContact O-CD2 3Å; K436-F440 PolarHBondContact O-N 3.3Å; Q437-F440 PolarHBondContact O-N 2.93Å; Q437-F440 VanDerWaalsContact O-N 3.14Å; F440-R442 VanDerWaalsContact C-N 3.26Å; F440-R442 PolarHBondContact O-N 3.46Å; F440-L443 HydrophobicContact CD1-CD2 3.97Å; F440-L443 HydrophobicContact CE1-CD2 4.03Å; F440-L443 PolarHBondContact O-N 2.93Å; F440-Y444 WeakPolarHBondContact O-CB 3.25Å; F440-Y444 PolarHBondContact O-N 3.49Å; F440-C507 HydrophobicContact CZ-CB 4.49Å; F440-V510 HydrophobicContact CE2-CB 3.89Å; F440-V510 HydrophobicContact CE2-CG1 4.22Å; F440-V510 HydrophobicContact CE2-CG2 3.55Å; F440-V510 HydrophobicContact CZ-CB 3.69Å; F440-V510 HydrophobicContact CZ-CG1 4.14Å; F440-V510 HydrophobicContact CZ-CG2 3.86Å; F440-L512 HydrophobicContact CE1-CD2 4.02Å; F440-V540 HydrophobicContact CB-CG2 4.44Å; F440-V542 HydrophobicContact CB-CG2 4.28Å; F440-V542 HydrophobicContact CD2-CG2 3.42Å; F440-V542 VanDerWaalsContact CD2-CG2 3.42Å; F440-V542 HydrophobicContact CE2-CG2 4.06Å; F440-V542 HydrophobicContact CG-CG2 3.97Å; F440-L559 HydrophobicContact CB-CD1 3.83Å; F440-L559 HydrophobicContact CD1-CD1 3.76Å; F440-L559 HydrophobicContact CD1-CD2 3.9Å; F440-L559 HydrophobicContact CD1-CG 4.43Å; F440-L559 HydrophobicContact CD2-CD1 4.48Å; F440-L559 HydrophobicContact CE1-CD2 4.41Å; F440-L559 HydrophobicContact CG-CD1 3.74Å
441	N	93.1	Very high	91.4	Very high	65 Å²	65	65.5 Å²	65.5	35%	0.348	30%	0.301	S	S	.	.	H	α-helix	trans	-59.9	-36.4	168.1	-71.9	-14.9	0	0	0	112.3	Q437	Q437-N441 PolarHBondContact NE2-OD1 2.81Å; Q437-N441 PolarHBondContact O-N 2.7Å
442	R	93.6	Very high	91.7	Very high	163 Å²	163	66 Å²	66	62%	0.615	31%	0.311	S	S	*	.	H	α-helix	trans	-75.8	-41.8	175.7	-167.5	176.4	174.9	178.2	-5.1	111.4	P438 F439 F440 Y444 K445 T446 L474	P438-R442 PolarHBondContact O-N 2.84Å; P438-R442 VanDerWaalsContact O-N 3.14Å; F439-R442 WeakPolarHBondContact O-CB 3.42Å; F439-R442 PolarHBondContact O-N 3.23Å; F439-R442 VanDerWaalsContact O-N 3.12Å; F440-R442 VanDerWaalsContact C-N 3.26Å; F440-R442 PolarHBondContact O-N 3.46Å; R442-Y444 VanDerWaalsContact C-N 3.32Å; R442-Y444 PolarHBondContact O-N 3.01Å; R442-K445 PolarHBondContact O-N 3.33Å; R442-K445 VanDerWaalsContact O-N 3.16Å; R442-T446 PolarHBondContact O-N 3.35Å; R442-T446 PolarHBondContact O-OG1 3.39Å; R442-L474 HydrophobicContact CB-CD1 4.14Å; R442-L474 HydrophobicContact CG-CD1 3.98Å; R442-L474 HydrophobicContact CG-CD2 3.76Å; R442-L474 VanDerWaalsContact NE-CD2 3.31Å
443	L	94.1	Very high	92.1	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-42	176.1	-176.1	59	0	0	0	111.6	F439 F440 K445 T446 V447 A470 I471 L474 F535	F439-L443 HydrophobicContact CE1-CD2 4.42Å; F439-L443 PolarHBondContact O-N 2.82Å; F440-L443 HydrophobicContact CD1-CD2 3.97Å; F440-L443 HydrophobicContact CE1-CD2 4.03Å; F440-L443 PolarHBondContact O-N 2.93Å; L443-K445 VanDerWaalsContact C-N 3.35Å; L443-K445 PolarHBondContact O-N 2.87Å; L443-T446 PolarHBondContact O-N 2.51Å; L443-V447 HydrophobicContact CD1-CG2 3.92Å; L443-V447 HydrophobicContact CG-CG2 4.14Å; L443-V447 WeakPolarHBondContact O-CB 3.38Å; L443-V447 VanDerWaalsContact O-CG2 3.31Å; L443-V447 WeakPolarHBondContact O-CG2 3.4Å; L443-V447 PolarHBondContact O-N 3.12Å; L443-A470 HydrophobicContact CD1-CB 4.11Å; L443-I471 HydrophobicContact CD1-CG1 3.69Å; L443-I471 HydrophobicContact CD2-CG1 3.99Å; L443-L474 VanDerWaalsContact CA-CD1 3.43Å; L443-L474 HydrophobicContact CB-CD1 3.85Å; L443-L474 HydrophobicContact CD1-CD1 4.09Å; L443-F535 HydrophobicContact CB-CE1 4.45Å; L443-F535 HydrophobicContact CD2-CE1 4.16Å; L443-F535 HydrophobicContact CD2-CZ 3.76Å; L443-F535 HydrophobicContact CG-CE1 4Å; L443-F535 HydrophobicContact CG-CZ 4.02Å
444	Y	93.8	Very high	92.2	Very high	61 Å²	61	71.1 Å²	71.1	24%	0.239	35%	0.352	C	S	.	.	H	α-helix	trans	-54.1	-48	173	178	-92.5	0	0	0	112.6	F440 R442 V447 A448 F535 K537 K538 V540	F440-Y444 WeakPolarHBondContact O-CB 3.25Å; F440-Y444 PolarHBondContact O-N 3.49Å; R442-Y444 VanDerWaalsContact C-N 3.32Å; R442-Y444 PolarHBondContact O-N 3.01Å; Y444-V447 PolarHBondContact O-N 3.25Å; Y444-A448 WeakPolarHBondContact O-CB 3.23Å; Y444-A448 PolarHBondContact O-N 2.99Å; Y444-F535 HydrophobicContact CD2-CB 4.34Å; Y444-F535 HydrophobicContact CD2-CD1 4Å; Y444-F535 VanDerWaalsContact CE2-O 3.31Å; Y444-F535 WeakPolarHBondContact CE2-O 3.24Å; Y444-K537 VanDerWaalsContact CE2-O 3.3Å; Y444-K537 WeakPolarHBondContact CE2-O 3.34Å; Y444-K537 PolarHBondContact OH-O 2.83Å; Y444-K537 VanDerWaalsContact OH-O 3.12Å; Y444-K538 PolarHBondContact OH-O 3.31Å; Y444-K538 VanDerWaalsContact OH-O 3.09Å; Y444-V540 HydrophobicContact CD2-CG1 4.11Å; Y444-V540 HydrophobicContact CD2-CG2 4.12Å; Y444-V540 HydrophobicContact CG-CG2 4.36Å
445	K	93.1	Very high	92.1	Very high	141 Å²	141	69.3 Å²	69.3	61%	0.613	37%	0.365	S	S	*	.	H	α-helix	trans	-63.8	-43.4	176.8	-67	-178.8	178.3	-173.7	0	111.9	R442 L443 A448 W449	R442-K445 PolarHBondContact O-N 3.33Å; R442-K445 VanDerWaalsContact O-N 3.16Å; L443-K445 VanDerWaalsContact C-N 3.35Å; L443-K445 PolarHBondContact O-N 2.87Å; K445-A448 PolarHBondContact O-N 3.12Å; K445-W449 PolarHBondContact O-N 3.26Å
446	T	94.2	Very high	92.1	Very high	28 Å²	28	63.3 Å²	63.3	17%	0.172	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-41.8	178.3	-59.1	0	0	0	0	112.5	R442 L443 W449 K450 A470 A473	R442-T446 PolarHBondContact O-N 3.35Å; R442-T446 PolarHBondContact O-OG1 3.39Å; L443-T446 PolarHBondContact O-N 2.51Å; T446-W449 PolarHBondContact O-N 3.05Å; T446-K450 WeakPolarHBondContact O-CB 3.44Å; T446-K450 VanDerWaalsContact O-CG 3.3Å; T446-K450 WeakPolarHBondContact O-CG 3.41Å; T446-K450 PolarHBondContact O-N 2.65Å; T446-A470 HydrophobicContact CG2-CB 4Å; T446-A473 HydrophobicContact CG2-CB 4.18Å
447	V	93.7	Very high	92	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.006	35%	0.354	C	S	.	.	H	α-helix	trans	-64.3	-45.2	175.2	169.5	0	0	0	0	110.6	L443 Y444 W449 K450 L451 A470 L532 F535	L443-V447 HydrophobicContact CD1-CG2 3.92Å; L443-V447 HydrophobicContact CG-CG2 4.14Å; L443-V447 WeakPolarHBondContact O-CB 3.38Å; L443-V447 VanDerWaalsContact O-CG2 3.31Å; L443-V447 WeakPolarHBondContact O-CG2 3.4Å; L443-V447 PolarHBondContact O-N 3.12Å; Y444-V447 PolarHBondContact O-N 3.25Å; V447-W449 PolarHBondContact O-N 3.43Å; V447-K450 PolarHBondContact O-N 2.77Å; V447-L451 HydrophobicContact CG1-CD1 3.87Å; V447-L451 HydrophobicContact CG1-CG 4.33Å; V447-L451 WeakPolarHBondContact O-CB 3.44Å; V447-L451 WeakPolarHBondContact O-CG 3.34Å; V447-L451 PolarHBondContact O-N 3.43Å; V447-A470 HydrophobicContact CG2-CB 3.66Å; V447-L532 HydrophobicContact CG1-CD2 3.52Å; V447-L532 HydrophobicContact CG2-CD2 4.46Å; V447-F535 HydrophobicContact CB-CB 4.27Å; V447-F535 HydrophobicContact CB-CD1 4.46Å; V447-F535 HydrophobicContact CB-CG 4.27Å; V447-F535 HydrophobicContact CG1-CB 3.63Å; V447-F535 HydrophobicContact CG1-CD2 4.28Å; V447-F535 HydrophobicContact CG1-CG 3.97Å; V447-F535 HydrophobicContact CG2-CD1 4.49Å; V447-F535 HydrophobicContact CG2-CD2 4.47Å; V447-F535 HydrophobicContact CG2-CG 4.38Å
448	A	92.3	Very high	91.6	Very high	32 Å²	32	66.2 Å²	66.2	26%	0.264	36%	0.361	S	S	.	.	H	α-helix	trans	-59.7	-44.2	175.7	0	0	0	0	0	112.1	Y444 K445 L451 V452	Y444-A448 WeakPolarHBondContact O-CB 3.23Å; Y444-A448 PolarHBondContact O-N 2.99Å; K445-A448 PolarHBondContact O-N 3.12Å; A448-L451 PolarHBondContact O-N 3.27Å; A448-V452 WeakPolarHBondContact O-CG2 3.3Å; A448-V452 PolarHBondContact O-N 3.08Å
449	W	92.8	Very high	91.3	Very high	209 Å²	209	67.4 Å²	67.4	79%	0.792	37%	0.368	S	S	*	.	H	α-helix	trans	-64	-41.9	175.9	-77.1	28.4	0	0	0	112.3	K445 T446 V447 V452 A453	K445-W449 PolarHBondContact O-N 3.26Å; T446-W449 PolarHBondContact O-N 3.05Å; V447-W449 PolarHBondContact O-N 3.43Å; W449-V452 PolarHBondContact O-N 2.88Å; W449-A453 WeakPolarHBondContact O-CB 3.15Å; W449-A453 PolarHBondContact O-N 3.32Å
450	K	92.7	Very high	90.8	Very high	84 Å²	84	73.4 Å²	73.4	37%	0.365	40%	0.402	S	S	.	.	H	α-helix	trans	-65.1	-41.1	175.8	-74.9	-74.1	-173.3	173.7	0	111.9	T446 V447 A453 V454 L466 A470	T446-K450 WeakPolarHBondContact O-CB 3.44Å; T446-K450 VanDerWaalsContact O-CG 3.3Å; T446-K450 WeakPolarHBondContact O-CG 3.41Å; T446-K450 PolarHBondContact O-N 2.65Å; V447-K450 PolarHBondContact O-N 2.77Å; K450-A453 PolarHBondContact O-N 2.84Å; K450-V454 PolarHBondContact O-N 3.16Å; K450-L466 HydrophobicContact CB-CD1 4Å; K450-L466 HydrophobicContact CB-CG 4.18Å; K450-A470 HydrophobicContact CG-CB 4.39Å
451	L	91.6	Very high	90.5	Very high	12 Å²	12	74.8 Å²	74.8	6%	0.063	41%	0.41	C	S	.	.	H	α-helix	trans	-60.8	-47.9	174.4	-77.9	168.3	0	0	0	111.5	V447 A448 A453 V454 G455 G456 F457 L466 L536	V447-L451 HydrophobicContact CG1-CD1 3.87Å; V447-L451 HydrophobicContact CG1-CG 4.33Å; V447-L451 WeakPolarHBondContact O-CB 3.44Å; V447-L451 WeakPolarHBondContact O-CG 3.34Å; V447-L451 PolarHBondContact O-N 3.43Å; A448-L451 PolarHBondContact O-N 3.27Å; L451-A453 VanDerWaalsContact C-N 3.29Å; L451-A453 PolarHBondContact O-N 3.33Å; L451-V454 WeakPolarHBondContact O-CG2 3.39Å; L451-V454 PolarHBondContact O-N 3Å; L451-G455 PolarHBondContact O-N 3.46Å; L451-G456 WeakPolarHBondContact O-CA 3.37Å; L451-G456 PolarHBondContact O-N 3.02Å; L451-F457 HydrophobicContact CD2-CB 4.2Å; L451-F457 HydrophobicContact CD2-CD2 4.32Å; L451-L466 HydrophobicContact CD2-CD2 3.48Å; L451-L466 VanDerWaalsContact CD2-CD2 3.48Å; L451-L466 HydrophobicContact CG-CD2 3.81Å; L451-L536 HydrophobicContact CD1-CD2 3.58Å
452	V	90.9	Very high	90.4	Very high	120 Å²	120	75.2 Å²	75.2	73%	0.727	41%	0.413	S	S	*	.	H	α-helix	trans	-58.6	-42.3	176.2	170.2	0	0	0	0	111.2	A448 W449 V454 G455	A448-V452 WeakPolarHBondContact O-CG2 3.3Å; A448-V452 PolarHBondContact O-N 3.08Å; W449-V452 PolarHBondContact O-N 2.88Å; V452-V454 VanDerWaalsContact C-N 3.25Å; V452-V454 PolarHBondContact O-N 3.22Å; V452-G455 PolarHBondContact O-N 3.1Å
453	A	90.5	Very high	90.3	Very high	85 Å²	85	67.9 Å²	67.9	70%	0.702	39%	0.385	S	S	*	.	H	α-helix	trans	-65.5	-20.6	179.4	0	0	0	0	0	114.8	W449 K450 L451	W449-A453 WeakPolarHBondContact O-CB 3.15Å; W449-A453 PolarHBondContact O-N 3.32Å; K450-A453 PolarHBondContact O-N 2.84Å; L451-A453 VanDerWaalsContact C-N 3.29Å; L451-A453 PolarHBondContact O-N 3.33Å
454	V	89.6	Confident	90.2	Very high	67 Å²	67	68.2 Å²	68.2	41%	0.406	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	12.5	176.8	-57.2	0	0	0	0	113.8	K450 L451 V452 V461 L466	K450-V454 PolarHBondContact O-N 3.16Å; L451-V454 WeakPolarHBondContact O-CG2 3.39Å; L451-V454 PolarHBondContact O-N 3Å; V452-V454 VanDerWaalsContact C-N 3.25Å; V452-V454 PolarHBondContact O-N 3.22Å; V454-V461 HydrophobicContact CB-CG2 4.38Å; V454-V461 HydrophobicContact CG2-CG1 4.1Å; V454-V461 HydrophobicContact CG2-CG2 4.07Å; V454-L466 HydrophobicContact CB-CD1 4.44Å; V454-L466 HydrophobicContact CG1-CD1 3.75Å; V454-L466 HydrophobicContact CG2-CD1 3.8Å
455	G	86.9	Confident	90.1	Very high	75 Å²	75	71.4 Å²	71.4	77%	0.773	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	18.5	-179.4	0	0	0	0	0	114.8	L451 V452	L451-G455 PolarHBondContact O-N 3.46Å; V452-G455 PolarHBondContact O-N 3.1Å
456	G	86.9	Confident	90.1	Very high	22 Å²	22	65.3 Å²	65.3	23%	0.227	38%	0.38	C	S	.	.	S	Bend	trans	96.5	-168.9	175.8	0	0	0	0	0	114.6	L451 S458	L451-G456 WeakPolarHBondContact O-CA 3.37Å; L451-G456 PolarHBondContact O-N 3.02Å; G456-S458 PolarHBondContact O-N 2.97Å
457	F	89	Confident	90.1	Very high	78 Å²	78	64 Å²	64	34%	0.342	37%	0.372	S	S	.	.	S	Bend	trans	-85.6	106.7	178	-174.2	-89.6	0	0	0	109.9	L451 H463 R529 L532 K533 L536	L451-F457 HydrophobicContact CD2-CB 4.2Å; L451-F457 HydrophobicContact CD2-CD2 4.32Å; F457-H463 AromaticContact CD2-NE2 3.96Å; F457-H463 AromaticContact CE2-CD2 3.51Å; F457-H463 AromaticContact CE2-NE2 3.43Å; F457-H463 WeakPolarHBondContact CE2-NE2 3.29Å; F457-H463 AromaticContact CZ-CD2 3.92Å; F457-H463 AromaticContact CZ-NE2 3.49Å; F457-H463 WeakPolarHBondContact CZ-NE2 3.34Å; F457-R529 HydrophobicContact CZ-CG 4.01Å; F457-L532 HydrophobicContact CD2-CB 4.43Å; F457-L532 HydrophobicContact CE2-CB 3.94Å; F457-K533 HydrophobicContact CE2-CG 4.48Å; F457-K533 HydrophobicContact CZ-CG 3.95Å; F457-L536 HydrophobicContact CB-CD1 4.03Å; F457-L536 HydrophobicContact CB-CD2 3.89Å; F457-L536 HydrophobicContact CD1-CD1 3.87Å; F457-L536 HydrophobicContact CD2-CD1 3.73Å; F457-L536 HydrophobicContact CD2-CD2 4.12Å; F457-L536 HydrophobicContact CD2-CG 4.29Å; F457-L536 HydrophobicContact CE1-CD1 4.2Å; F457-L536 HydrophobicContact CE2-CD1 4.05Å; F457-L536 HydrophobicContact CG-CD1 3.62Å; F457-L536 HydrophobicContact CG-CD2 4.19Å; F457-L536 HydrophobicContact CG-CG 4.47Å; F457-L536 HydrophobicContact CZ-CD1 4.27Å
458	S	85.5	Confident	90.1	Very high	41 Å²	41	66 Å²	66	29%	0.287	38%	0.382	S	S	.	.			trans	-134.2	151.3	178.2	74.2	0	0	0	0	110.6	G456 N460 V461 H463	G456-S458 PolarHBondContact O-N 2.97Å; S458-N460 PolarHBondContact O-N 2.86Å; S458-V461 PolarHBondContact O-N 2.68Å; S458-V461 WeakPolarHBondContact OG-CG2 3.42Å; S458-H463 PolarHBondContact O-CE1 2.86Å
459	P	84.5	Confident	90.2	Very high	104 Å²	104	66 Å²	66	68%	0.675	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.8	-176.1	24.2	-34.5	0	0	0	113.8
460	N	83.6	Confident	90.3	Very high	153 Å²	153	56 Å²	56	82%	0.818	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.9	-174.9	-58.7	-5.5	0	0	0	113.7	S458	S458-N460 PolarHBondContact O-N 2.86Å
461	V	87.5	Confident	90.4	Very high	30 Å²	30	52 Å²	52	18%	0.182	33%	0.327	C	S	.	.	S	Bend	trans	-78	143.8	177.8	166.4	0	0	0	0	110.6	V454 S458 H463	V454-V461 HydrophobicContact CB-CG2 4.38Å; V454-V461 HydrophobicContact CG2-CG1 4.1Å; V454-V461 HydrophobicContact CG2-CG2 4.07Å; S458-V461 PolarHBondContact O-N 2.68Å; S458-V461 WeakPolarHBondContact OG-CG2 3.42Å; V461-H463 PolarHBondContact O-CE1 3.1Å; V461-H463 PolarHBondContact O-N 2.76Å; V461-H463 PolarHBondContact O-ND1 3.07Å
462	N	91.3	Very high	90.5	Very high	74 Å²	74	56.8 Å²	56.8	40%	0.396	35%	0.349	S	S	.	.			trans	-73.6	94.8	169	-166.9	-26.3	0	0	0	110.7	G464 E465 L466	N462-G464 PolarHBondContact O-N 2.83Å; N462-G464 PolarHBondContact OD1-N 2.89Å; N462-E465 HydrophobicContact CB-CB 4.15Å; N462-E465 HydrophobicContact CB-CG 4.34Å; N462-E465 WeakPolarHBondContact CB-OE2 3.3Å; N462-E465 VanDerWaalsContact CG-CD 3.46Å; N462-E465 WeakPolarHBondContact ND2-CG 3.32Å; N462-E465 PolarHBondContact ND2-OE1 2.85Å; N462-E465 PolarHBondContact ND2-OE2 2.94Å; N462-E465 PolarHBondContact O-N 2.92Å; N462-E465 PolarHBondContact OD1-N 2.88Å; N462-L466 WeakPolarHBondContact O-CB 3.27Å; N462-L466 PolarHBondContact O-N 2.85Å; N462-L466 VanDerWaalsContact O-N 3.08Å
463	H	92	Very high	90.6	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-61.5	-31	-179.3	-67	67	0	0	0	112.7	F457 S458 V461 L467 R529 L532	F457-H463 AromaticContact CD2-NE2 3.96Å; F457-H463 AromaticContact CE2-CD2 3.51Å; F457-H463 AromaticContact CE2-NE2 3.43Å; F457-H463 WeakPolarHBondContact CE2-NE2 3.29Å; F457-H463 AromaticContact CZ-CD2 3.92Å; F457-H463 AromaticContact CZ-NE2 3.49Å; F457-H463 WeakPolarHBondContact CZ-NE2 3.34Å; S458-H463 PolarHBondContact O-CE1 2.86Å; V461-H463 PolarHBondContact O-CE1 3.1Å; V461-H463 PolarHBondContact O-N 2.76Å; V461-H463 PolarHBondContact O-ND1 3.07Å; H463-L467 WeakPolarHBondContact O-CB 3.34Å; H463-L467 PolarHBondContact O-N 3.29Å; H463-R529 PolarHBondContact CE1-NH1 3.26Å; H463-L532 HydrophobicContact CB-CD1 3.85Å; H463-L532 WeakPolarHBondContact O-CD1 3.36Å
464	G	91.6	Very high	90.7	Very high	7 Å²	7	50.8 Å²	50.8	7%	0.072	31%	0.309	C	S	.	.	H	α-helix	trans	-74.2	-47	-178.8	0	0	0	0	0	112.4	N462 N468	N462-G464 PolarHBondContact O-N 2.83Å; N462-G464 PolarHBondContact OD1-N 2.89Å; G464-N468 VanDerWaalsContact O-CB 3.26Å; G464-N468 WeakPolarHBondContact O-CB 3.21Å; G464-N468 PolarHBondContact O-N 2.81Å
465	E	92.2	Very high	90.9	Very high	128 Å²	128	57.3 Å²	57.3	60%	0.598	33%	0.332	S	S	*	.	H	α-helix	trans	-63.8	-42.6	175.1	-74	165.5	-169.7	0	0	111.8	N462 L467 N468 A469	N462-E465 HydrophobicContact CB-CB 4.15Å; N462-E465 HydrophobicContact CB-CG 4.34Å; N462-E465 WeakPolarHBondContact CB-OE2 3.3Å; N462-E465 VanDerWaalsContact CG-CD 3.46Å; N462-E465 WeakPolarHBondContact ND2-CG 3.32Å; N462-E465 PolarHBondContact ND2-OE1 2.85Å; N462-E465 PolarHBondContact ND2-OE2 2.94Å; N462-E465 PolarHBondContact O-N 2.92Å; N462-E465 PolarHBondContact OD1-N 2.88Å; E465-L467 PolarHBondContact O-N 2.76Å; E465-N468 PolarHBondContact O-N 2.93Å; E465-A469 VanDerWaalsContact O-CB 3.27Å; E465-A469 WeakPolarHBondContact O-CB 3.39Å; E465-A469 PolarHBondContact O-N 3.06Å
466	L	93.9	Very high	91.1	Very high	14 Å²	14	54.5 Å²	54.5	7%	0.073	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-46.1	178.7	-166.1	93	0	0	0	112	K450 L451 V454 N462 A470 L532	K450-L466 HydrophobicContact CB-CD1 4Å; K450-L466 HydrophobicContact CB-CG 4.18Å; L451-L466 HydrophobicContact CD2-CD2 3.48Å; L451-L466 VanDerWaalsContact CD2-CD2 3.48Å; L451-L466 HydrophobicContact CG-CD2 3.81Å; V454-L466 HydrophobicContact CB-CD1 4.44Å; V454-L466 HydrophobicContact CG1-CD1 3.75Å; V454-L466 HydrophobicContact CG2-CD1 3.8Å; N462-L466 WeakPolarHBondContact O-CB 3.27Å; N462-L466 PolarHBondContact O-N 2.85Å; N462-L466 VanDerWaalsContact O-N 3.08Å; L466-A470 WeakPolarHBondContact O-CB 3.3Å; L466-A470 PolarHBondContact O-N 2.89Å; L466-A470 VanDerWaalsContact O-N 3.09Å; L466-L532 HydrophobicContact CB-CD1 4.49Å; L466-L532 HydrophobicContact CD2-CD1 3.86Å; L466-L532 HydrophobicContact CD2-CD2 4.32Å
467	L	93.8	Very high	91.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.3	-44.4	177.9	180	60.3	0	0	0	111.2	H463 E465 A470 I471 L505 A531 L532 F535	H463-L467 WeakPolarHBondContact O-CB 3.34Å; H463-L467 PolarHBondContact O-N 3.29Å; E465-L467 PolarHBondContact O-N 2.76Å; L467-A470 PolarHBondContact O-N 2.83Å; L467-I471 HydrophobicContact CD1-CD1 3.94Å; L467-I471 HydrophobicContact CD1-CG1 4.48Å; L467-I471 HydrophobicContact CG-CD1 4.02Å; L467-I471 WeakPolarHBondContact O-CG1 3.31Å; L467-I471 PolarHBondContact O-N 3.17Å; L467-I471 VanDerWaalsContact O-N 3.1Å; L467-L505 HydrophobicContact CD2-CD1 4.11Å; L467-A531 HydrophobicContact CD2-CB 3.86Å; L467-L532 HydrophobicContact CB-CD2 4.26Å; L467-L532 HydrophobicContact CB-CG 4.34Å; L467-L532 HydrophobicContact CD1-CD2 4.13Å; L467-F535 HydrophobicContact CD1-CE2 4.32Å
468	N	93.8	Very high	91.4	Very high	42 Å²	42	55.1 Å²	55.1	23%	0.225	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-51.2	178.4	-166.2	80.3	0	0	0	111.4	G464 E465 A470 I471 E472 L478	G464-N468 VanDerWaalsContact O-CB 3.26Å; G464-N468 WeakPolarHBondContact O-CB 3.21Å; G464-N468 PolarHBondContact O-N 2.81Å; E465-N468 PolarHBondContact O-N 2.93Å; N468-A470 PolarHBondContact O-N 3.06Å; N468-I471 PolarHBondContact O-N 2.75Å; N468-E472 PolarHBondContact ND2-OE1 2.68Å; N468-E472 PolarHBondContact ND2-OE2 3.04Å; N468-E472 VanDerWaalsContact ND2-OE2 3.1Å; N468-E472 WeakPolarHBondContact O-CG 3.46Å; N468-E472 PolarHBondContact O-N 3.13Å; N468-L478 HydrophobicContact CB-CD2 4.33Å
469	A	94	Very high	91.6	Very high	32 Å²	32	55.3 Å²	55.3	26%	0.264	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-24.7	178.6	0	0	0	0	0	113.6	E465 A473	E465-A469 VanDerWaalsContact O-CB 3.27Å; E465-A469 WeakPolarHBondContact O-CB 3.39Å; E465-A469 PolarHBondContact O-N 3.06Å; A469-A473 VanDerWaalsContact O-CB 3.24Å; A469-A473 WeakPolarHBondContact O-CB 3.25Å; A469-A473 PolarHBondContact O-N 2.98Å
470	A	94.4	Very high	91.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-75.3	-33.1	172	0	0	0	0	0	112.6	L443 T446 V447 K450 L466 L467 N468	L443-A470 HydrophobicContact CD1-CB 4.11Å; T446-A470 HydrophobicContact CG2-CB 4Å; V447-A470 HydrophobicContact CG2-CB 3.66Å; K450-A470 HydrophobicContact CG-CB 4.39Å; L466-A470 WeakPolarHBondContact O-CB 3.3Å; L466-A470 PolarHBondContact O-N 2.89Å; L466-A470 VanDerWaalsContact O-N 3.09Å; L467-A470 PolarHBondContact O-N 2.83Å; N468-A470 PolarHBondContact O-N 3.06Å
471	I	94.1	Very high	92.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-77	-43.4	177.2	-70.3	170	0	0	0	110.8	L443 L467 N468 A473 L474 K475 A476 T477 L478 C507 L512	L443-I471 HydrophobicContact CD1-CG1 3.69Å; L443-I471 HydrophobicContact CD2-CG1 3.99Å; L467-I471 HydrophobicContact CD1-CD1 3.94Å; L467-I471 HydrophobicContact CD1-CG1 4.48Å; L467-I471 HydrophobicContact CG-CD1 4.02Å; L467-I471 WeakPolarHBondContact O-CG1 3.31Å; L467-I471 PolarHBondContact O-N 3.17Å; L467-I471 VanDerWaalsContact O-N 3.1Å; N468-I471 PolarHBondContact O-N 2.75Å; I471-A473 PolarHBondContact O-N 3.45Å; I471-L474 CarbonylContact O-C 3.55Å; I471-L474 WeakPolarHBondContact O-CA 3.41Å; I471-L474 PolarHBondContact O-N 3.4Å; I471-K475 PolarHBondContact O-N 3.16Å; I471-A476 HydrophobicContact CG2-CB 3.83Å; I471-A476 WeakPolarHBondContact CG2-O 3.3Å; I471-A476 PolarHBondContact O-N 3.09Å; I471-T477 WeakPolarHBondContact CG2-O 3.4Å; I471-L478 HydrophobicContact CD1-CB 4.07Å; I471-L478 HydrophobicContact CD1-CD1 3.76Å; I471-L478 HydrophobicContact CD1-CG 4.37Å; I471-C507 HydrophobicContact CD1-CB 4.41Å; I471-L512 HydrophobicContact CD1-CD1 4.18Å
472	E	94.3	Very high	92.1	Very high	113 Å²	113	49.3 Å²	49.3	53%	0.528	26%	0.262	S	S	.	.	H	α-helix	trans	-61.8	-40.1	175.1	-72.2	170.4	156.7	0	0	112.2	N468 L474 K475	N468-E472 PolarHBondContact ND2-OE1 2.68Å; N468-E472 PolarHBondContact ND2-OE2 3.04Å; N468-E472 VanDerWaalsContact ND2-OE2 3.1Å; N468-E472 WeakPolarHBondContact O-CG 3.46Å; N468-E472 PolarHBondContact O-N 3.13Å; E472-L474 PolarHBondContact O-N 2.66Å; E472-K475 PolarHBondContact O-N 3.04Å
473	A	93.8	Very high	91.7	Very high	59 Å²	59	46.9 Å²	46.9	49%	0.488	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.9	173.4	0	0	0	0	0	113.6	T446 A469 I471	T446-A473 HydrophobicContact CG2-CB 4.18Å; A469-A473 VanDerWaalsContact O-CB 3.24Å; A469-A473 WeakPolarHBondContact O-CB 3.25Å; A469-A473 PolarHBondContact O-N 2.98Å; I471-A473 PolarHBondContact O-N 3.45Å
474	L	92.9	Very high	91.2	Very high	20 Å²	20	48.9 Å²	48.9	11%	0.105	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	14.8	173.9	-59.6	-171.6	0	0	0	113.8	F439 R442 L443 I471 E472 A476	F439-L474 HydrophobicContact CE2-CB 3.76Å; F439-L474 HydrophobicContact CE2-CD1 4.21Å; F439-L474 HydrophobicContact CZ-CB 4.48Å; R442-L474 HydrophobicContact CB-CD1 4.14Å; R442-L474 HydrophobicContact CG-CD1 3.98Å; R442-L474 HydrophobicContact CG-CD2 3.76Å; R442-L474 VanDerWaalsContact NE-CD2 3.31Å; L443-L474 VanDerWaalsContact CA-CD1 3.43Å; L443-L474 HydrophobicContact CB-CD1 3.85Å; L443-L474 HydrophobicContact CD1-CD1 4.09Å; I471-L474 CarbonylContact O-C 3.55Å; I471-L474 WeakPolarHBondContact O-CA 3.41Å; I471-L474 PolarHBondContact O-N 3.4Å; E472-L474 PolarHBondContact O-N 2.66Å; L474-A476 PolarHBondContact O-N 3.12Å
475	K	92.1	Very high	90.1	Very high	204 Å²	204	50.1 Å²	50.1	89%	0.887	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	51.1	-179.8	-58.1	-174.1	177.6	-173	0	112.1	I471 E472	I471-K475 PolarHBondContact O-N 3.16Å; E472-K475 PolarHBondContact O-N 3.04Å
476	A	91.6	Very high	88.8	Confident	15 Å²	15	50.6 Å²	50.6	12%	0.124	27%	0.268	C	S	.	.			trans	-133.6	164.5	176.3	0	0	0	0	0	110.6	F439 I471 L474	F439-A476 HydrophobicContact CE2-CB 3.77Å; F439-A476 HydrophobicContact CZ-CB 3.51Å; I471-A476 HydrophobicContact CG2-CB 3.83Å; I471-A476 WeakPolarHBondContact CG2-O 3.3Å; I471-A476 PolarHBondContact O-N 3.09Å; L474-A476 PolarHBondContact O-N 3.12Å
477	T	90.2	Very high	87.3	Confident	92 Å²	92	55.6 Å²	55.6	56%	0.564	29%	0.291	S	S	*	.			trans	-98.3	151.4	173.7	52	0	0	0	0	111.1	I471 D479 C507	I471-T477 WeakPolarHBondContact CG2-O 3.4Å; T477-D479 PolarHBondContact OG1-OD1 2.96Å; T477-C507 PolarHBondContact O-SG 3.3Å
478	L	91.7	Very high	85.8	Confident	21 Å²	21	56.8 Å²	56.8	11%	0.11	30%	0.297	C	S	.	.			trans	-99.4	112.9	163.9	175.3	65.6	0	0	0	107.6	N468 I471 V480 L505 L512	N468-L478 HydrophobicContact CB-CD2 4.33Å; I471-L478 HydrophobicContact CD1-CB 4.07Å; I471-L478 HydrophobicContact CD1-CD1 3.76Å; I471-L478 HydrophobicContact CD1-CG 4.37Å; L478-V480 HydrophobicContact CD2-CG2 4.36Å; L478-V480 HydrophobicContact CG-CG2 4.03Å; L478-L505 HydrophobicContact CD1-CB 4.26Å; L478-L505 HydrophobicContact CD1-CD2 4.27Å; L478-L505 HydrophobicContact CD2-CD2 4.49Å; L478-L505 HydrophobicContact CG-CD2 4.45Å; L478-L512 HydrophobicContact CD1-CD1 3.95Å
479	D	90	Very high	84	Confident	45 Å²	45	59.3 Å²	59.3	24%	0.241	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.7	-174.3	-38.6	-53.1	0	0	0	107.9	T477 F481 R506 C507 K508	T477-D479 PolarHBondContact OG1-OD1 2.96Å; D479-F481 HydrophobicContact CB-CE2 3.83Å; D479-F481 HydrophobicContact CB-CZ 4Å; D479-R506 HydrophobicContact CB-CB 4.19Å; D479-R506 PolarHBondContact N-O 2.78Å; D479-R506 PolarHBondContact O-N 3.36Å; D479-C507 WeakPolarHBondContact OD2-CA 3.24Å; D479-K508 PolarHBondContact OD2-N 3.25Å
480	V	91.2	Very high	82.2	Confident	42 Å²	42	61 Å²	61	26%	0.255	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	113.6	-168.6	-172.9	0	0	0	0	110.5	L478 F482 L505 K524	L478-V480 HydrophobicContact CD2-CG2 4.36Å; L478-V480 HydrophobicContact CG-CG2 4.03Å; V480-F482 HydrophobicContact CG1-CD2 4.4Å; V480-F482 HydrophobicContact CG1-CE1 4.12Å; V480-F482 HydrophobicContact CG1-CE2 3.66Å; V480-F482 HydrophobicContact CG1-CZ 3.5Å; V480-F482 VanDerWaalsContact CG1-CZ 3.5Å; V480-L505 HydrophobicContact CB-CD2 4.25Å; V480-L505 HydrophobicContact CG1-CD2 3.93Å; V480-L505 HydrophobicContact CG2-CD2 3.79Å; V480-K524 HydrophobicContact CG1-CD 4.44Å; V480-K524 HydrophobicContact CG1-CG 4.49Å
481	F	88	Confident	80.3	Confident	43 Å²	43	62.8 Å²	62.8	19%	0.189	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.8	-177.7	-57.6	-70.6	0	0	0	111.2	D479 C503 E504 R506 K574 L579	D479-F481 HydrophobicContact CB-CE2 3.83Å; D479-F481 HydrophobicContact CB-CZ 4Å; F481-C503 CarbonylContact O-C 3.35Å; F481-C503 VanDerWaalsContact O-CA 3.29Å; F481-C503 WeakPolarHBondContact O-CA 3.31Å; F481-E504 PolarHBondContact N-O 2.89Å; F481-E504 PolarHBondContact O-N 3.42Å; F481-R506 HydrophobicContact CE2-CB 4.31Å; F481-R506 HydrophobicContact CE2-CG 4.35Å; F481-K574 HydrophobicContact CD1-CD 3.6Å; F481-K574 HydrophobicContact CE1-CD 3.67Å; F481-K574 HydrophobicContact CG-CD 4.05Å; F481-K574 HydrophobicContact CZ-CD 4.18Å; F481-L579 HydrophobicContact CE1-CD2 4.19Å; F481-L579 HydrophobicContact CE2-CD1 4.15Å; F481-L579 HydrophobicContact CE2-CD2 4.26Å; F481-L579 HydrophobicContact CZ-CD1 4.28Å; F481-L579 HydrophobicContact CZ-CD2 3.58Å
482	F	87.9	Confident	78.1	Confident	77 Å²	77	68.8 Å²	68.8	34%	0.338	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.6	177.2	-61.2	-74	0	0	0	110.2	V480 I501 V502 C503 K520 K524	V480-F482 HydrophobicContact CG1-CD2 4.4Å; V480-F482 HydrophobicContact CG1-CE1 4.12Å; V480-F482 HydrophobicContact CG1-CE2 3.66Å; V480-F482 HydrophobicContact CG1-CZ 3.5Å; V480-F482 VanDerWaalsContact CG1-CZ 3.5Å; F482-I501 HydrophobicContact CB-CG2 4.13Å; F482-I501 HydrophobicContact CD1-CG2 4.03Å; F482-V502 WeakPolarHBondContact CA-O 3.25Å; F482-C503 HydrophobicContact CD1-CB 3.97Å; F482-C503 HydrophobicContact CE1-CB 3.96Å; F482-K520 HydrophobicContact CD1-CB 4.2Å; F482-K520 HydrophobicContact CD1-CG 4.13Å; F482-K520 HydrophobicContact CD2-CD 4.39Å; F482-K520 HydrophobicContact CE1-CB 3.89Å; F482-K520 HydrophobicContact CE1-CG 4.32Å; F482-K520 VanDerWaalsContact CE1-O 3.28Å; F482-K520 WeakPolarHBondContact CE1-O 3.43Å; F482-K520 HydrophobicContact CG-CD 4.43Å; F482-K520 HydrophobicContact CG-CG 4.33Å; F482-K520 HydrophobicContact CZ-CB 4.18Å; F482-K524 HydrophobicContact CE1-CB 4.34Å; F482-K524 HydrophobicContact CZ-CB 4.44Å
483	V	82.9	Confident	76	Confident	23 Å²	23	70.3 Å²	70.3	14%	0.139	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.7	174.3	-177.6	0	0	0	0	109.1	E487 L488 V502 L573	V483-E487 HydrophobicContact CG1-CB 4.12Å; V483-L488 HydrophobicContact CB-CD1 4.08Å; V483-L488 HydrophobicContact CG1-CD1 3.79Å; V483-L488 HydrophobicContact CG1-CD2 4.02Å; V483-L488 HydrophobicContact CG1-CG 3.77Å; V483-V502 PolarHBondContact N-O 3.16Å; V483-V502 PolarHBondContact O-N 3.43Å; V483-L573 HydrophobicContact CB-CD1 4.26Å; V483-L573 HydrophobicContact CG2-CB 3.91Å; V483-L573 HydrophobicContact CG2-CD1 4.13Å; V483-L573 HydrophobicContact CG2-CG 4.44Å
484	P	80.1	Confident	73.6	Confident	50 Å²	50	74.3 Å²	74.3	33%	0.325	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	137.6	172.4	-24	35.5	0	0	0	111.8	K486 E487	P484-K486 HydrophobicContact CB-CB 4.44Å; P484-K486 PolarHBondContact O-N 3.15Å; P484-E487 VanDerWaalsContact CD-OE1 3.3Å; P484-E487 WeakPolarHBondContact CD-OE1 3.5Å; P484-E487 VanDerWaalsContact CG-OE1 3.27Å; P484-E487 WeakPolarHBondContact CG-OE1 3.38Å; P484-E487 PolarHBondContact O-N 3.08Å
485	L	69.3	Low	71.5	Confident	32 Å²	32	83.3 Å²	83.3	17%	0.168	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-61.7	-20.5	177.5	-168.2	70.4	0	0	0	112.4	E487 L488 L491 S500 V502	L485-E487 PolarHBondContact O-N 3.47Å; L485-E487 VanDerWaalsContact O-N 3.13Å; L485-L488 HydrophobicContact CD1-CB 4.3Å; L485-L488 PolarHBondContact O-N 2.92Å; L485-L488 VanDerWaalsContact O-N 3.13Å; L485-L491 HydrophobicContact CD1-CB 3.91Å; L485-L491 HydrophobicContact CD1-CD1 4.4Å; L485-L491 HydrophobicContact CD1-CD2 4.34Å; L485-L491 HydrophobicContact CD1-CG 4.46Å; L485-S500 WeakPolarHBondContact CB-O 3.44Å; L485-S500 WeakPolarHBondContact CD2-OG 3.18Å; L485-S500 PolarHBondContact N-O 2.93Å; L485-V502 HydrophobicContact CB-CG2 4.33Å; L485-V502 HydrophobicContact CD1-CG2 3.75Å
486	K	65.4	Low	69.4	Low	139 Å²	139	77.6 Å²	77.6	60%	0.604	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-54.8	-25.1	171.6	-62	-179.3	-176.1	173.6	0	113.3	P484 E499	P484-K486 HydrophobicContact CB-CB 4.44Å; P484-K486 PolarHBondContact O-N 3.15Å; K486-E499 VanDerWaalsContact CE-CG 3.46Å; K486-E499 IonicContact NZ-OE1 2.75Å; K486-E499 PolarHBondContact NZ-OE1 2.78Å
487	E	61.6	Low	67.4	Low	119 Å²	119	82.1 Å²	82.1	56%	0.556	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-99	-3.6	-177.2	-66	164.1	-139.6	0	0	113.4	V483 P484 L485	V483-E487 HydrophobicContact CG1-CB 4.12Å; P484-E487 VanDerWaalsContact CD-OE1 3.3Å; P484-E487 WeakPolarHBondContact CD-OE1 3.5Å; P484-E487 VanDerWaalsContact CG-OE1 3.27Å; P484-E487 WeakPolarHBondContact CG-OE1 3.38Å; P484-E487 PolarHBondContact O-N 3.08Å; L485-E487 PolarHBondContact O-N 3.47Å; L485-E487 VanDerWaalsContact O-N 3.13Å
488	L	62.9	Low	65.7	Low	25 Å²	25	85.4 Å²	85.4	13%	0.131	46%	0.461	C	S	.	.			trans	-119.3	87.4	-168.7	-65.1	170.2	0	0	0	111.9	V483 L485 D490 L491 V502 L573	V483-L488 HydrophobicContact CB-CD1 4.08Å; V483-L488 HydrophobicContact CG1-CD1 3.79Å; V483-L488 HydrophobicContact CG1-CD2 4.02Å; V483-L488 HydrophobicContact CG1-CG 3.77Å; L485-L488 HydrophobicContact CD1-CB 4.3Å; L485-L488 PolarHBondContact O-N 2.92Å; L485-L488 VanDerWaalsContact O-N 3.13Å; L488-D490 PolarHBondContact O-N 3.42Å; L488-L491 HydrophobicContact CB-CD1 3.79Å; L488-L491 HydrophobicContact CD1-CD1 3.92Å; L488-L491 HydrophobicContact CG-CD1 4.34Å; L488-V502 HydrophobicContact CD1-CB 3.97Å; L488-V502 HydrophobicContact CD1-CG2 3.66Å; L488-L573 HydrophobicContact CD1-CD2 3.59Å; L488-L573 HydrophobicContact CD2-CD2 3.95Å; L488-L573 HydrophobicContact CG-CD2 4.45Å
489	A	55.3	Low	64.1	Low	95 Å²	95	90.4 Å²	90.4	79%	0.785	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.8	175.5	0	0	0	0	0	114.2
490	D	55.9	Low	63.2	Low	67 Å²	67	90 Å²	90	36%	0.358	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	0.5	-172.9	-75	-41.6	0	0	0	114.9	L488 R550 G551 P571	L488-D490 PolarHBondContact O-N 3.42Å; D490-R550 PolarHBondContact OD2-N 3.04Å; D490-G551 PolarHBondContact OD2-N 3.25Å; D490-P571 HydrophobicContact CB-CB 4.22Å; D490-P571 HydrophobicContact CB-CG 4.29Å
491	L	55	Low	62.9	Low	37 Å²	37	89.7 Å²	89.7	19%	0.194	48%	0.481	C	S	.	.	S	Bend	trans	-106.1	149.6	177.1	-79	97.7	0	0	0	112.7	L485 L488 Q493 V502 P571	L485-L491 HydrophobicContact CD1-CB 3.91Å; L485-L491 HydrophobicContact CD1-CD1 4.4Å; L485-L491 HydrophobicContact CD1-CD2 4.34Å; L485-L491 HydrophobicContact CD1-CG 4.46Å; L488-L491 HydrophobicContact CB-CD1 3.79Å; L488-L491 HydrophobicContact CD1-CD1 3.92Å; L488-L491 HydrophobicContact CG-CD1 4.34Å; L491-Q493 PolarHBondContact O-N 3.19Å; L491-V502 HydrophobicContact CD2-CG1 4.47Å; L491-V502 HydrophobicContact CD2-CG2 4.45Å; L491-P571 HydrophobicContact CD1-CG 3.58Å; L491-P571 HydrophobicContact CG-CG 3.93Å
492	P	48.4	Very low	62.9	Low	126 Å²	126	87.7 Å²	87.7	82%	0.818	47%	0.472	S	S	*	.			trans	-66.6	103.3	176.5	27.6	-34.4	0	0	0	111.3	N494	P492-N494 PolarHBondContact O-N 3.03Å; P492-N494 VanDerWaalsContact O-N 3.09Å
493	Q	50.8	Low	63	Low	146 Å²	146	84 Å²	84	68%	0.682	46%	0.456	S	S	*	.			trans	-66.2	104.8	174.9	-68.7	-177.2	-10.8	0	0	110.8	L491	L491-Q493 PolarHBondContact O-N 3.19Å
494	N	43.3	Very low	63.4	Low	143 Å²	143	82.9 Å²	82.9	77%	0.765	45%	0.449	S	S	*	.			trans	-83.4	138.1	166.7	-157.7	-15.1	0	0	0	109.8	P492 S496	P492-N494 PolarHBondContact O-N 3.03Å; P492-N494 VanDerWaalsContact O-N 3.09Å; N494-S496 VanDerWaalsContact C-N 3.29Å; N494-S496 PolarHBondContact O-N 3.39Å
495	K	47.6	Very low	64	Low	208 Å²	208	80.5 Å²	80.5	90%	0.904	43%	0.434	S	S	*	.	S	Bend	trans	-84.3	51.8	-160.5	-60.6	-175.8	-179.9	-178.4	0	113.9
496	S	47.7	Very low	65	Low	85 Å²	85	79 Å²	79	59%	0.594	43%	0.426	S	S	*	.	S	Bend	trans	-130.3	79.4	-178.1	51	0	0	0	0	114	N494	N494-S496 VanDerWaalsContact C-N 3.29Å; N494-S496 PolarHBondContact O-N 3.39Å
497	S	49.8	Very low	66.2	Low	109 Å²	109	72.4 Å²	72.4	76%	0.762	40%	0.397	S	S	*	.			trans	66.5	145	169.4	-52.1	0	0	0	0	116.3
498	Q	55.4	Low	67.4	Low	162 Å²	162	70.7 Å²	70.7	76%	0.757	39%	0.388	S	S	*	.	S	Bend	trans	-56.8	154.5	175.7	-73.6	83	-24.7	0	0	111.7
499	E	56.6	Low	68.5	Low	125 Å²	125	70.4 Å²	70.4	58%	0.584	39%	0.387	S	S	*	.			trans	76.7	55.4	171.4	-61.1	172.8	-161.6	0	0	116.1	K486	K486-E499 VanDerWaalsContact CE-CG 3.46Å; K486-E499 IonicContact NZ-OE1 2.75Å; K486-E499 PolarHBondContact NZ-OE1 2.78Å
500	S	72.3	Confident	70.1	Confident	36 Å²	36	65.9 Å²	65.9	25%	0.252	35%	0.35	S	S	.	.			trans	-86.1	141.4	144.6	42.9	0	0	0	0	111	L485	L485-S500 WeakPolarHBondContact CB-O 3.44Å; L485-S500 WeakPolarHBondContact CD2-OG 3.18Å; L485-S500 PolarHBondContact N-O 2.93Å
501	I	84.8	Confident	71.8	Confident	37 Å²	37	63.4 Å²	63.4	19%	0.19	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.6	174	-59.8	175.7	0	0	0	107.5	F482 C516 G517 K520 A523	F482-I501 HydrophobicContact CB-CG2 4.13Å; F482-I501 HydrophobicContact CD1-CG2 4.03Å; I501-C516 WeakPolarHBondContact O-CA 3.17Å; I501-G517 PolarHBondContact N-O 3.48Å; I501-G517 PolarHBondContact O-N 3.5Å; I501-K520 HydrophobicContact CD1-CG 3.63Å; I501-K520 HydrophobicContact CG2-CG 4.5Å; I501-A523 WeakPolarHBondContact O-CB 3.34Å
502	V	87.5	Confident	73.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.7	171.9	-162.6	0	0	0	0	108.5	F482 V483 L485 L488 L491 T514 L573	F482-V502 WeakPolarHBondContact CA-O 3.25Å; V483-V502 PolarHBondContact N-O 3.16Å; V483-V502 PolarHBondContact O-N 3.43Å; L485-V502 HydrophobicContact CB-CG2 4.33Å; L485-V502 HydrophobicContact CD1-CG2 3.75Å; L488-V502 HydrophobicContact CD1-CB 3.97Å; L488-V502 HydrophobicContact CD1-CG2 3.66Å; L491-V502 HydrophobicContact CD2-CG1 4.47Å; L491-V502 HydrophobicContact CD2-CG2 4.45Å; V502-T514 HydrophobicContact CG1-CG2 3.46Å; V502-T514 VanDerWaalsContact CG1-CG2 3.46Å; V502-L573 HydrophobicContact CB-CD1 4.05Å; V502-L573 HydrophobicContact CG1-CD1 3.89Å; V502-L573 HydrophobicContact CG1-CD2 4.24Å
503	C	89.7	Confident	75.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.7	179.9	176.6	0	0	0	0	109.2	F481 F482 T514 G515 A523 A527	F481-C503 CarbonylContact O-C 3.35Å; F481-C503 VanDerWaalsContact O-CA 3.29Å; F481-C503 WeakPolarHBondContact O-CA 3.31Å; F482-C503 HydrophobicContact CD1-CB 3.97Å; F482-C503 HydrophobicContact CE1-CB 3.96Å; C503-T514 CarbonylContact O-C 3.57Å; C503-T514 VanDerWaalsContact O-CA 3.27Å; C503-T514 WeakPolarHBondContact O-CA 3.35Å; C503-G515 PolarHBondContact N-O 2.68Å; C503-G515 PolarHBondContact O-N 3.09Å; C503-A523 HydrophobicContact CB-CB 3.64Å; C503-A527 HydrophobicContact CB-CB 4.36Å
504	E	91.3	Very high	77.3	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.5	169.4	176	167.9	104.3	0	0	109.4	F481 R506 Y511 R547 L573	F481-E504 PolarHBondContact N-O 2.89Å; F481-E504 PolarHBondContact O-N 3.42Å; E504-R506 HydrophobicContact CG-CG 4.4Å; E504-R506 IonicContact OE1-CZ 3.04Å; E504-R506 VanDerWaalsContact OE1-CZ 3.26Å; E504-R506 IonicContact OE1-NE 3.77Å; E504-R506 PolarHBondContact OE1-NE 3.44Å; E504-R506 IonicContact OE1-NH2 3.71Å; E504-R506 PolarHBondContact OE1-NH2 3.09Å; E504-R506 IonicContact OE2-NH2 2.63Å; E504-Y511 HydrophobicContact CG-CD2 3.82Å; E504-Y511 HydrophobicContact CG-CE2 4.06Å; E504-R547 IonicContact OE1-NH1 3.36Å; E504-R547 IonicContact OE2-CZ 2.63Å; E504-R547 VanDerWaalsContact OE2-CZ 3.26Å; E504-R547 IonicContact OE2-NH1 2.63Å; E504-R547 PolarHBondContact OE2-NH1 3Å; E504-R547 IonicContact OE2-NH2 3.93Å; E504-R547 PolarHBondContact OE2-NH2 2.79Å; E504-L573 HydrophobicContact CB-CB 3.94Å; E504-L573 HydrophobicContact CB-CD1 3.55Å; E504-L573 HydrophobicContact CB-CG 3.72Å; E504-L573 PolarHBondContact OE2-N 3.07Å
505	L	92.4	Very high	79.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.4	174.7	-62.3	-179.1	0	0	0	110.1	L467 L478 V480 L512 G513 A527	L467-L505 HydrophobicContact CD2-CD1 4.11Å; L478-L505 HydrophobicContact CD1-CB 4.26Å; L478-L505 HydrophobicContact CD1-CD2 4.27Å; L478-L505 HydrophobicContact CD2-CD2 4.49Å; L478-L505 HydrophobicContact CG-CD2 4.45Å; V480-L505 HydrophobicContact CB-CD2 4.25Å; V480-L505 HydrophobicContact CG1-CD2 3.93Å; V480-L505 HydrophobicContact CG2-CD2 3.79Å; L505-L512 HydrophobicContact CB-CB 4.2Å; L505-L512 PolarHBondContact O-N 3.41Å; L505-G513 PolarHBondContact N-O 3.33Å; L505-A527 HydrophobicContact CD1-CB 3.71Å; L505-A527 HydrophobicContact CG-CB 3.75Å
506	R	90.5	Very high	81.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	160.8	170.6	-67.5	-180	178.9	-97.8	-5.8	110.9	D479 F481 E504 S509 V510 D556 L579	D479-R506 HydrophobicContact CB-CB 4.19Å; D479-R506 PolarHBondContact N-O 2.78Å; D479-R506 PolarHBondContact O-N 3.36Å; F481-R506 HydrophobicContact CE2-CB 4.31Å; F481-R506 HydrophobicContact CE2-CG 4.35Å; E504-R506 HydrophobicContact CG-CG 4.4Å; E504-R506 IonicContact OE1-CZ 3.04Å; E504-R506 VanDerWaalsContact OE1-CZ 3.26Å; E504-R506 IonicContact OE1-NE 3.77Å; E504-R506 PolarHBondContact OE1-NE 3.44Å; E504-R506 IonicContact OE1-NH2 3.71Å; E504-R506 PolarHBondContact OE1-NH2 3.09Å; E504-R506 IonicContact OE2-NH2 2.63Å; R506-S509 PolarHBondContact NH1-O 2.84Å; R506-V510 CarbonylContact C-O 3.58Å; R506-V510 WeakPolarHBondContact CA-O 3.1Å; R506-V510 WeakPolarHBondContact CB-O 3.27Å; R506-D556 IonicContact CZ-OD1 2.76Å; R506-D556 IonicContact CZ-OD2 2.65Å; R506-D556 IonicContact NH1-OD1 3.26Å; R506-D556 PolarHBondContact NH1-OD1 2.9Å; R506-D556 IonicContact NH1-OD2 2.8Å; R506-D556 PolarHBondContact NH1-OD2 3.2Å; R506-D556 IonicContact NH2-OD1 2.66Å; R506-D556 IonicContact NH2-OD2 3.57Å; R506-D556 PolarHBondContact NH2-OD2 2.96Å; R506-L579 VanDerWaalsContact CD-CD1 3.42Å
507	C	90.8	Very high	83.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	127.7	165.9	-178.4	0	0	0	0	108.6	F440 I471 T477 D479 S509 V510 L512	F440-C507 HydrophobicContact CZ-CB 4.49Å; I471-C507 HydrophobicContact CD1-CB 4.41Å; T477-C507 PolarHBondContact O-SG 3.3Å; D479-C507 WeakPolarHBondContact OD2-CA 3.24Å; C507-S509 PolarHBondContact O-N 3.39Å; C507-V510 PolarHBondContact N-O 3.45Å; C507-V510 PolarHBondContact O-N 2.98Å; C507-L512 HydrophobicContact CB-CD1 3.82Å; C507-L512 HydrophobicContact CB-CG 4.49Å
508	K	87.8	Confident	84.9	Confident	84 Å²	84	36.8 Å²	36.8	37%	0.365	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	46	-176.9	-58	-169.5	178.3	-174.3	0	112.2	K436 F439 D479 V510	K436-K508 PolarHBondContact NZ-O 2.9Å; F439-K508 HydrophobicContact CD1-CD 3.95Å; F439-K508 HydrophobicContact CD2-CD 4.3Å; F439-K508 VanDerWaalsContact CD2-NZ 3.3Å; F439-K508 HydrophobicContact CE1-CD 3.96Å; F439-K508 HydrophobicContact CE1-CG 4.33Å; F439-K508 HydrophobicContact CE2-CD 4.29Å; F439-K508 HydrophobicContact CG-CD 4.12Å; F439-K508 HydrophobicContact CZ-CD 4.13Å; D479-K508 PolarHBondContact OD2-N 3.25Å; K508-V510 PolarHBondContact O-N 3.17Å; K508-V510 VanDerWaalsContact O-N 3.12Å
509	S	85.8	Confident	86.5	Confident	18 Å²	18	31.8 Å²	31.8	13%	0.126	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	-13.5	-175.6	-25.1	0	0	0	0	115.9	R506 C507 L579	R506-S509 PolarHBondContact NH1-O 2.84Å; C507-S509 PolarHBondContact O-N 3.39Å; S509-L579 WeakPolarHBondContact CB-O 3.39Å; S509-L579 PolarHBondContact OG-O 3.33Å
510	V	89.4	Confident	88.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	131	-178.6	-172.3	0	0	0	0	110.9	K436 F440 R506 C507 K508 V542 L557 L559	K436-V510 HydrophobicContact CB-CG2 4.39Å; K436-V510 HydrophobicContact CD-CG2 3.75Å; F440-V510 HydrophobicContact CE2-CB 3.89Å; F440-V510 HydrophobicContact CE2-CG1 4.22Å; F440-V510 HydrophobicContact CE2-CG2 3.55Å; F440-V510 HydrophobicContact CZ-CB 3.69Å; F440-V510 HydrophobicContact CZ-CG1 4.14Å; F440-V510 HydrophobicContact CZ-CG2 3.86Å; R506-V510 CarbonylContact C-O 3.58Å; R506-V510 WeakPolarHBondContact CA-O 3.1Å; R506-V510 WeakPolarHBondContact CB-O 3.27Å; C507-V510 PolarHBondContact N-O 3.45Å; C507-V510 PolarHBondContact O-N 2.98Å; K508-V510 PolarHBondContact O-N 3.17Å; K508-V510 VanDerWaalsContact O-N 3.12Å; V510-V542 HydrophobicContact CG1-CG1 4.14Å; V510-V542 HydrophobicContact CG1-CG2 4.38Å; V510-V542 HydrophobicContact CG2-CG1 4.4Å; V510-L557 CarbonylContact C-O 3.44Å; V510-L557 WeakPolarHBondContact CA-O 3.4Å; V510-L557 HydrophobicContact CB-CB 4.36Å; V510-L557 HydrophobicContact CG1-CB 4.26Å; V510-L557 WeakPolarHBondContact CG1-O 3.26Å; V510-L557 HydrophobicContact CG2-CB 4.03Å; V510-L557 HydrophobicContact CG2-CD1 4.38Å; V510-L559 HydrophobicContact CG1-CB 4.26Å
511	Y	91.3	Very high	89	Confident	16 Å²	16	37.5 Å²	37.5	6%	0.063	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	132.3	173.4	167.6	-91.2	0	0	0	112.7	E504 G513 T514 R547 L557 V558 L559 P570	E504-Y511 HydrophobicContact CG-CD2 3.82Å; E504-Y511 HydrophobicContact CG-CE2 4.06Å; Y511-G513 VanDerWaalsContact CE2-C 3.45Å; Y511-G513 VanDerWaalsContact CZ-CA 3.45Å; Y511-G513 WeakPolarHBondContact OH-CA 3.34Å; Y511-T514 WeakPolarHBondContact CE2-OG1 3.37Å; Y511-T514 PolarHBondContact OH-N 3.23Å; Y511-T514 PolarHBondContact OH-OG1 2.93Å; Y511-R547 VanDerWaalsContact CD2-NH1 3.26Å; Y511-L557 PolarHBondContact N-O 3.47Å; Y511-V558 HydrophobicContact CD1-CB 4.41Å; Y511-V558 HydrophobicContact CD1-CG1 3.82Å; Y511-V558 HydrophobicContact CD1-CG2 4.3Å; Y511-V558 HydrophobicContact CE1-CG1 4.33Å; Y511-L559 WeakPolarHBondContact O-CB 3.33Å; Y511-L559 PolarHBondContact O-N 2.96Å; Y511-P570 WeakPolarHBondContact OH-CG 3.38Å
512	L	90.7	Very high	89.2	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-37	179.8	-71.7	174.5	0	0	0	113.7	F440 I471 L478 L505 C507 A531 L534 F535 L559	F440-L512 HydrophobicContact CE1-CD2 4.02Å; I471-L512 HydrophobicContact CD1-CD1 4.18Å; L478-L512 HydrophobicContact CD1-CD1 3.95Å; L505-L512 HydrophobicContact CB-CB 4.2Å; L505-L512 PolarHBondContact O-N 3.41Å; C507-L512 HydrophobicContact CB-CD1 3.82Å; C507-L512 HydrophobicContact CB-CG 4.49Å; L512-A531 HydrophobicContact CB-CB 4.07Å; L512-L534 WeakPolarHBondContact O-CD1 3.41Å; L512-F535 HydrophobicContact CD2-CE2 4.43Å; L512-F535 HydrophobicContact CD2-CZ 4.21Å; L512-L559 HydrophobicContact CD2-CB 4.26Å; L512-L559 HydrophobicContact CD2-CD2 3.56Å
513	G	89.4	Confident	89.4	Confident	2 Å²	2	39.6 Å²	39.6	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174	151.9	-173.3	0	0	0	0	0	113.6	L505 Y511	L505-G513 PolarHBondContact N-O 3.33Å; Y511-G513 VanDerWaalsContact CE2-C 3.45Å; Y511-G513 VanDerWaalsContact CZ-CA 3.45Å; Y511-G513 WeakPolarHBondContact OH-CA 3.34Å
514	T	90.1	Very high	89.5	Confident	24 Å²	24	42.8 Å²	42.8	15%	0.147	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.4	172.1	-64.8	0	0	0	0	109.5	V502 C503 Y511	V502-T514 HydrophobicContact CG1-CG2 3.46Å; V502-T514 VanDerWaalsContact CG1-CG2 3.46Å; C503-T514 CarbonylContact O-C 3.57Å; C503-T514 VanDerWaalsContact O-CA 3.27Å; C503-T514 WeakPolarHBondContact O-CA 3.35Å; Y511-T514 WeakPolarHBondContact CE2-OG1 3.37Å; Y511-T514 PolarHBondContact OH-N 3.23Å; Y511-T514 PolarHBondContact OH-OG1 2.93Å
515	G	88	Confident	89.5	Confident	4 Å²	4	44.2 Å²	44.2	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.8	172.8	0	0	0	0	0	111.5	C503	C503-G515 PolarHBondContact N-O 2.68Å; C503-G515 PolarHBondContact O-N 3.09Å
516	C	88	Confident	89.5	Confident	79 Å²	79	46.1 Å²	46.1	53%	0.534	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.3	176.7	59.7	0	0	0	0	111	I501	I501-C516 WeakPolarHBondContact O-CA 3.17Å
517	G	86.4	Confident	89.6	Confident	10 Å²	10	46.1 Å²	46.1	10%	0.103	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	164.5	177.7	0	0	0	0	0	112.8	I501 S519	I501-G517 PolarHBondContact N-O 3.48Å; I501-G517 PolarHBondContact O-N 3.5Å; G517-S519 VanDerWaalsContact C-N 3.27Å
518	K	85.4	Confident	89.8	Confident	175 Å²	175	46.1 Å²	46.1	76%	0.761	24%	0.24	S	C	*	.	S	Bend	trans	-67.6	-32.9	172.8	-55.1	179.9	-179.5	-175.4	0	111.5
519	S	88.7	Confident	89.9	Confident	57 Å²	57	45.6 Å²	45.6	40%	0.399	24%	0.236	S	C	.	.	S	Bend	trans	-73.6	141.6	168.8	151.7	0	0	0	0	115.7	G517 E521 A523	G517-S519 VanDerWaalsContact C-N 3.27Å; S519-E521 VanDerWaalsContact C-N 3.28Å; S519-E521 PolarHBondContact OG-N 2.69Å; S519-A523 WeakPolarHBondContact O-CB 3.27Å; S519-A523 PolarHBondContact O-N 2.79Å
520	K	89.7	Confident	90.2	Very high	125 Å²	125	48.1 Å²	48.1	54%	0.543	25%	0.246	S	C	.	.	H	α-helix	trans	-59.2	-46.1	150.3	-76.1	-173.2	179.7	177.2	0	109.6	F482 I501 A523 K524	F482-K520 HydrophobicContact CD1-CB 4.2Å; F482-K520 HydrophobicContact CD1-CG 4.13Å; F482-K520 HydrophobicContact CD2-CD 4.39Å; F482-K520 HydrophobicContact CE1-CB 3.89Å; F482-K520 HydrophobicContact CE1-CG 4.32Å; F482-K520 VanDerWaalsContact CE1-O 3.28Å; F482-K520 WeakPolarHBondContact CE1-O 3.43Å; F482-K520 HydrophobicContact CG-CD 4.43Å; F482-K520 HydrophobicContact CG-CG 4.33Å; F482-K520 HydrophobicContact CZ-CB 4.18Å; I501-K520 HydrophobicContact CD1-CG 3.63Å; I501-K520 HydrophobicContact CG2-CG 4.5Å; K520-A523 PolarHBondContact O-N 3.05Å; K520-K524 WeakPolarHBondContact O-CB 3.46Å; K520-K524 PolarHBondContact O-N 2.9Å
521	E	90.6	Very high	90.3	Very high	155 Å²	155	48.1 Å²	48.1	72%	0.724	25%	0.246	S	C	*	.	H	α-helix	trans	-64.8	-46.8	178.5	-177.7	171.8	-148.7	0	0	111.8	S519 A523 K524 A525	S519-E521 VanDerWaalsContact C-N 3.28Å; S519-E521 PolarHBondContact OG-N 2.69Å; E521-A523 PolarHBondContact O-N 2.92Å; E521-K524 PolarHBondContact O-N 2.86Å; E521-A525 WeakPolarHBondContact O-CB 3.28Å; E521-A525 PolarHBondContact O-N 3.13Å
522	N	89.8	Confident	90.3	Very high	81 Å²	81	47.4 Å²	47.4	43%	0.433	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-44.4	176.5	-168.8	7.6	0	0	0	111.7	K524 A525 V526	N522-K524 VanDerWaalsContact C-N 3.33Å; N522-K524 PolarHBondContact O-N 2.96Å; N522-A525 PolarHBondContact O-N 3.29Å; N522-V526 WeakPolarHBondContact O-CG2 3.42Å; N522-V526 PolarHBondContact O-N 2.65Å
523	A	90.9	Very high	90.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-41.6	175.1	0	0	0	0	0	112	I501 C503 S519 K520 E521 A527	I501-A523 WeakPolarHBondContact O-CB 3.34Å; C503-A523 HydrophobicContact CB-CB 3.64Å; S519-A523 WeakPolarHBondContact O-CB 3.27Å; S519-A523 PolarHBondContact O-N 2.79Å; K520-A523 PolarHBondContact O-N 3.05Å; E521-A523 PolarHBondContact O-N 2.92Å; A523-A527 WeakPolarHBondContact O-CB 3.32Å; A523-A527 PolarHBondContact O-N 2.71Å
524	K	92.3	Very high	90.2	Very high	67 Å²	67	52.7 Å²	52.7	29%	0.291	27%	0.267	S	S	.	.	H	α-helix	trans	-63.4	-41.6	173.4	-174.2	-177.1	178.7	-176.3	0	112	V480 F482 K520 E521 N522 A527 S528	V480-K524 HydrophobicContact CG1-CD 4.44Å; V480-K524 HydrophobicContact CG1-CG 4.49Å; F482-K524 HydrophobicContact CE1-CB 4.34Å; F482-K524 HydrophobicContact CZ-CB 4.44Å; K520-K524 WeakPolarHBondContact O-CB 3.46Å; K520-K524 PolarHBondContact O-N 2.9Å; E521-K524 PolarHBondContact O-N 2.86Å; N522-K524 VanDerWaalsContact C-N 3.33Å; N522-K524 PolarHBondContact O-N 2.96Å; K524-A527 PolarHBondContact O-N 2.99Å; K524-S528 WeakPolarHBondContact O-CB 3.36Å; K524-S528 PolarHBondContact O-N 3.05Å; K524-S528 PolarHBondContact O-OG 3Å
525	A	91.6	Very high	90.2	Very high	31 Å²	31	51.7 Å²	51.7	26%	0.256	26%	0.261	S	S	.	.	H	α-helix	trans	-66	-41.3	179.2	0	0	0	0	0	111.8	E521 N522 R529	E521-A525 WeakPolarHBondContact O-CB 3.28Å; E521-A525 PolarHBondContact O-N 3.13Å; N522-A525 PolarHBondContact O-N 3.29Å; A525-R529 WeakPolarHBondContact O-CB 3.34Å; A525-R529 PolarHBondContact O-N 3.49Å
526	V	91.6	Very high	90.1	Very high	39 Å²	39	55.6 Å²	55.6	24%	0.236	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-49	171.4	175.7	0	0	0	0	110.6	N522 S528 R529 E530	N522-V526 WeakPolarHBondContact O-CG2 3.42Å; N522-V526 PolarHBondContact O-N 2.65Å; V526-S528 VanDerWaalsContact C-N 3.32Å; V526-S528 PolarHBondContact O-N 2.85Å; V526-R529 WeakPolarHBondContact O-CB 3.31Å; V526-R529 PolarHBondContact O-N 3.46Å; V526-R529 VanDerWaalsContact O-N 3.11Å; V526-E530 PolarHBondContact O-N 3.32Å
527	A	93.1	Very high	89.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-41.1	-179.9	0	0	0	0	0	112.4	C503 L505 A523 K524 R529 E530 A531	C503-A527 HydrophobicContact CB-CB 4.36Å; L505-A527 HydrophobicContact CD1-CB 3.71Å; L505-A527 HydrophobicContact CG-CB 3.75Å; A523-A527 WeakPolarHBondContact O-CB 3.32Å; A523-A527 PolarHBondContact O-N 2.71Å; K524-A527 PolarHBondContact O-N 2.99Å; A527-R529 VanDerWaalsContact C-N 3.33Å; A527-R529 PolarHBondContact O-N 2.63Å; A527-E530 PolarHBondContact O-N 3.42Å; A527-A531 WeakPolarHBondContact O-CB 3.46Å; A527-A531 PolarHBondContact O-N 2.85Å
528	S	94.3	Very high	89.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67	-34.8	177.1	-53	0	0	0	0	111.9	K524 V526 L532	K524-S528 WeakPolarHBondContact O-CB 3.36Å; K524-S528 PolarHBondContact O-N 3.05Å; K524-S528 PolarHBondContact O-OG 3Å; V526-S528 VanDerWaalsContact C-N 3.32Å; V526-S528 PolarHBondContact O-N 2.85Å; S528-L532 WeakPolarHBondContact O-CB 3.41Å; S528-L532 WeakPolarHBondContact O-CG 3.46Å; S528-L532 PolarHBondContact O-N 3.39Å
529	R	91.7	Very high	89.2	Confident	74 Å²	74	58.4 Å²	58.4	28%	0.279	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-46.3	174.9	-167.7	-169.8	-44.5	-84.3	5.5	111.4	F457 H463 A525 V526 A527 L532 K533	F457-R529 HydrophobicContact CZ-CG 4.01Å; H463-R529 PolarHBondContact CE1-NH1 3.26Å; A525-R529 WeakPolarHBondContact O-CB 3.34Å; A525-R529 PolarHBondContact O-N 3.49Å; V526-R529 WeakPolarHBondContact O-CB 3.31Å; V526-R529 PolarHBondContact O-N 3.46Å; V526-R529 VanDerWaalsContact O-N 3.11Å; A527-R529 VanDerWaalsContact C-N 3.33Å; A527-R529 PolarHBondContact O-N 2.63Å; R529-L532 PolarHBondContact O-N 2.82Å; R529-K533 WeakPolarHBondContact O-CG 3.32Å; R529-K533 PolarHBondContact O-N 3.26Å; R529-K533 VanDerWaalsContact O-N 3.11Å
530	E	90.4	Very high	89.3	Confident	71 Å²	71	55.7 Å²	55.7	33%	0.332	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-40.7	176.4	-60.3	-44.4	120.2	0	0	112.1	V526 A527 K533	V526-E530 PolarHBondContact O-N 3.32Å; A527-E530 PolarHBondContact O-N 3.42Å; E530-K533 WeakPolarHBondContact O-CB 3.41Å; E530-K533 PolarHBondContact O-N 3.44Å; E530-K533 WeakPolarHBondContact OE1-CE 3.44Å; E530-K533 IonicContact OE1-NZ 2.74Å; E530-K533 PolarHBondContact OE1-NZ 3.38Å; E530-K533 WeakPolarHBondContact OE2-CD 3.28Å; E530-K533 WeakPolarHBondContact OE2-CE 3.48Å; E530-K533 IonicContact OE2-NZ 2.68Å; E530-K533 PolarHBondContact OE2-NZ 3.04Å
531	A	92.4	Very high	89.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-45.9	173.5	0	0	0	0	0	111.9	L467 L512 A527 K533 L534 F535	L467-A531 HydrophobicContact CD2-CB 3.86Å; L512-A531 HydrophobicContact CB-CB 4.07Å; A527-A531 WeakPolarHBondContact O-CB 3.46Å; A527-A531 PolarHBondContact O-N 2.85Å; A531-K533 VanDerWaalsContact C-N 3.33Å; A531-K533 PolarHBondContact O-N 3.46Å; A531-L534 WeakPolarHBondContact O-CB 3.32Å; A531-L534 PolarHBondContact O-N 2.98Å; A531-F535 VanDerWaalsContact O-CD2 3.24Å; A531-F535 WeakPolarHBondContact O-CD2 3.38Å
532	L	91.9	Very high	89.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-33.3	177.9	-77.7	179.5	0	0	0	113.2	V447 F457 H463 L466 L467 S528 R529 L534 F535 L536	V447-L532 HydrophobicContact CG1-CD2 3.52Å; V447-L532 HydrophobicContact CG2-CD2 4.46Å; F457-L532 HydrophobicContact CD2-CB 4.43Å; F457-L532 HydrophobicContact CE2-CB 3.94Å; H463-L532 HydrophobicContact CB-CD1 3.85Å; H463-L532 WeakPolarHBondContact O-CD1 3.36Å; L466-L532 HydrophobicContact CB-CD1 4.49Å; L466-L532 HydrophobicContact CD2-CD1 3.86Å; L466-L532 HydrophobicContact CD2-CD2 4.32Å; L467-L532 HydrophobicContact CB-CD2 4.26Å; L467-L532 HydrophobicContact CB-CG 4.34Å; L467-L532 HydrophobicContact CD1-CD2 4.13Å; S528-L532 WeakPolarHBondContact O-CB 3.41Å; S528-L532 WeakPolarHBondContact O-CG 3.46Å; S528-L532 PolarHBondContact O-N 3.39Å; R529-L532 PolarHBondContact O-N 2.82Å; L532-L534 PolarHBondContact O-N 3.39Å; L532-F535 HydrophobicContact CD2-CD2 4.48Å; L532-F535 PolarHBondContact O-N 2.79Å; L532-L536 PolarHBondContact O-N 2.83Å
533	K	89.4	Confident	89.4	Confident	82 Å²	82	42.4 Å²	42.4	36%	0.357	20%	0.199	S	C	.	.	H	α-helix	trans	-58.4	-28.7	174.3	-72.7	173.8	-171.2	171.2	0	113.4	F457 R529 E530 A531 F535 L536	F457-K533 HydrophobicContact CE2-CG 4.48Å; F457-K533 HydrophobicContact CZ-CG 3.95Å; R529-K533 WeakPolarHBondContact O-CG 3.32Å; R529-K533 PolarHBondContact O-N 3.26Å; R529-K533 VanDerWaalsContact O-N 3.11Å; E530-K533 WeakPolarHBondContact O-CB 3.41Å; E530-K533 PolarHBondContact O-N 3.44Å; E530-K533 WeakPolarHBondContact OE1-CE 3.44Å; E530-K533 IonicContact OE1-NZ 2.74Å; E530-K533 PolarHBondContact OE1-NZ 3.38Å; E530-K533 WeakPolarHBondContact OE2-CD 3.28Å; E530-K533 WeakPolarHBondContact OE2-CE 3.48Å; E530-K533 IonicContact OE2-NZ 2.68Å; E530-K533 PolarHBondContact OE2-NZ 3.04Å; A531-K533 VanDerWaalsContact C-N 3.33Å; A531-K533 PolarHBondContact O-N 3.46Å; K533-F535 VanDerWaalsContact C-N 3.33Å; K533-L536 PolarHBondContact O-N 3.21Å
534	L	88	Confident	89.3	Confident	31 Å²	31	45 Å²	45	16%	0.162	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-38.1	175.4	-60.9	176.2	0	0	0	111.5	L512 A531 L532 L536 K537 V540	L512-L534 WeakPolarHBondContact O-CD1 3.41Å; A531-L534 WeakPolarHBondContact O-CB 3.32Å; A531-L534 PolarHBondContact O-N 2.98Å; L532-L534 PolarHBondContact O-N 3.39Å; L534-L536 VanDerWaalsContact C-N 3.29Å; L534-L536 PolarHBondContact O-N 2.78Å; L534-K537 PolarHBondContact O-N 3.44Å; L534-V540 HydrophobicContact CB-CG1 4.36Å; L534-V540 WeakPolarHBondContact O-CG1 3.43Å
535	F	89.3	Confident	89	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.018	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.5	179.4	-58.5	-81.9	0	0	0	114	L443 Y444 V447 L467 L512 A531 L532 K533 V540 L559	L443-F535 HydrophobicContact CB-CE1 4.45Å; L443-F535 HydrophobicContact CD2-CE1 4.16Å; L443-F535 HydrophobicContact CD2-CZ 3.76Å; L443-F535 HydrophobicContact CG-CE1 4Å; L443-F535 HydrophobicContact CG-CZ 4.02Å; Y444-F535 HydrophobicContact CD2-CB 4.34Å; Y444-F535 HydrophobicContact CD2-CD1 4Å; Y444-F535 VanDerWaalsContact CE2-O 3.31Å; Y444-F535 WeakPolarHBondContact CE2-O 3.24Å; V447-F535 HydrophobicContact CB-CB 4.27Å; V447-F535 HydrophobicContact CB-CD1 4.46Å; V447-F535 HydrophobicContact CB-CG 4.27Å; V447-F535 HydrophobicContact CG1-CB 3.63Å; V447-F535 HydrophobicContact CG1-CD2 4.28Å; V447-F535 HydrophobicContact CG1-CG 3.97Å; V447-F535 HydrophobicContact CG2-CD1 4.49Å; V447-F535 HydrophobicContact CG2-CD2 4.47Å; V447-F535 HydrophobicContact CG2-CG 4.38Å; L467-F535 HydrophobicContact CD1-CE2 4.32Å; L512-F535 HydrophobicContact CD2-CE2 4.43Å; L512-F535 HydrophobicContact CD2-CZ 4.21Å; A531-F535 VanDerWaalsContact O-CD2 3.24Å; A531-F535 WeakPolarHBondContact O-CD2 3.38Å; L532-F535 HydrophobicContact CD2-CD2 4.48Å; L532-F535 PolarHBondContact O-N 2.79Å; K533-F535 VanDerWaalsContact C-N 3.33Å; F535-V540 HydrophobicContact CD1-CG1 3.89Å; F535-V540 HydrophobicContact CD1-CG2 4.2Å; F535-V540 HydrophobicContact CE1-CG1 4.24Å; F535-V540 HydrophobicContact CE1-CG2 4.05Å; F535-V540 HydrophobicContact CG-CG1 4.42Å; F535-L559 HydrophobicContact CE1-CD2 3.84Å; F535-L559 HydrophobicContact CE2-CD2 4.11Å; F535-L559 HydrophobicContact CZ-CD2 3.43Å; F535-L559 VanDerWaalsContact CZ-CD2 3.43Å
536	L	86.5	Confident	88.7	Confident	86 Å²	86	46.8 Å²	46.8	45%	0.45	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.1	170.3	-57.1	-179.9	0	0	0	113.1	L451 F457 L532 K533 L534	L451-L536 HydrophobicContact CD1-CD2 3.58Å; F457-L536 HydrophobicContact CB-CD1 4.03Å; F457-L536 HydrophobicContact CB-CD2 3.89Å; F457-L536 HydrophobicContact CD1-CD1 3.87Å; F457-L536 HydrophobicContact CD2-CD1 3.73Å; F457-L536 HydrophobicContact CD2-CD2 4.12Å; F457-L536 HydrophobicContact CD2-CG 4.29Å; F457-L536 HydrophobicContact CE1-CD1 4.2Å; F457-L536 HydrophobicContact CE2-CD1 4.05Å; F457-L536 HydrophobicContact CG-CD1 3.62Å; F457-L536 HydrophobicContact CG-CD2 4.19Å; F457-L536 HydrophobicContact CG-CG 4.47Å; F457-L536 HydrophobicContact CZ-CD1 4.27Å; L532-L536 PolarHBondContact O-N 2.83Å; K533-L536 PolarHBondContact O-N 3.21Å; L534-L536 VanDerWaalsContact C-N 3.29Å; L534-L536 PolarHBondContact O-N 2.78Å
537	K	79.9	Confident	88.2	Confident	97 Å²	97	45.1 Å²	45.1	42%	0.422	21%	0.205	S	C	.	.	S	Bend	trans	-87.3	167.8	-179.8	-59.9	-174.7	177.6	-174.1	0	110.7	Y444 L534 K539 D561	Y444-K537 VanDerWaalsContact CE2-O 3.3Å; Y444-K537 WeakPolarHBondContact CE2-O 3.34Å; Y444-K537 PolarHBondContact OH-O 2.83Å; Y444-K537 VanDerWaalsContact OH-O 3.12Å; L534-K537 PolarHBondContact O-N 3.44Å; K537-K539 VanDerWaalsContact C-N 3.26Å; K537-K539 PolarHBondContact O-N 2.92Å; K537-D561 HydrophobicContact CB-CB 4.2Å; K537-D561 WeakPolarHBondContact CB-OD1 3.34Å; K537-D561 HydrophobicContact CD-CB 3.62Å; K537-D561 VanDerWaalsContact CD-CG 3.47Å; K537-D561 VanDerWaalsContact CD-OD2 3.32Å; K537-D561 WeakPolarHBondContact CD-OD2 3.5Å; K537-D561 IonicContact NZ-OD2 2.75Å
538	K	76.8	Confident	87.5	Confident	142 Å²	142	50.8 Å²	50.8	62%	0.617	23%	0.23	S	C	*	.	S	Bend	trans	-46.4	-43.9	-169.3	-70.9	168.7	176.9	164.3	0	114.3	Y444 E563	Y444-K538 PolarHBondContact OH-O 3.31Å; Y444-K538 VanDerWaalsContact OH-O 3.09Å; K538-E563 WeakPolarHBondContact CD-OE1 3.39Å; K538-E563 IonicContact NZ-OE1 3.71Å; K538-E563 PolarHBondContact NZ-OE1 3.11Å; K538-E563 IonicContact NZ-OE2 3.89Å; K538-E563 PolarHBondContact NZ-OE2 3.4Å
539	K	84.9	Confident	86.7	Confident	83 Å²	83	52.9 Å²	52.9	36%	0.361	24%	0.238	S	C	.	.			trans	-168	139.1	-175.7	-170.7	-160.7	-169.2	-179	0	110.8	K537 E562	K537-K539 VanDerWaalsContact C-N 3.26Å; K537-K539 PolarHBondContact O-N 2.92Å; K539-E562 HydrophobicContact CB-CB 4.3Å; K539-E562 HydrophobicContact CD-CB 4.33Å; K539-E562 VanDerWaalsContact CD-CD 3.41Å; K539-E562 HydrophobicContact CD-CG 4.49Å; K539-E562 WeakPolarHBondContact CD-OE1 3.43Å; K539-E562 WeakPolarHBondContact CD-OE2 3.37Å; K539-E562 IonicContact NZ-OE1 2.71Å; K539-E562 PolarHBondContact NZ-OE1 3.23Å; K539-E562 IonicContact NZ-OE2 2.65Å; K539-E562 PolarHBondContact NZ-OE2 3.4Å; K539-E562 PolarHBondContact O-N 2.99Å
540	V	90.6	Very high	85.7	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	142.6	174.8	-61.8	0	0	0	0	112.6	Q437 F440 Y444 L534 F535 L559 L560	Q437-V540 PolarHBondContact NE2-O 2.86Å; F440-V540 HydrophobicContact CB-CG2 4.44Å; Y444-V540 HydrophobicContact CD2-CG1 4.11Å; Y444-V540 HydrophobicContact CD2-CG2 4.12Å; Y444-V540 HydrophobicContact CG-CG2 4.36Å; L534-V540 HydrophobicContact CB-CG1 4.36Å; L534-V540 WeakPolarHBondContact O-CG1 3.43Å; F535-V540 HydrophobicContact CD1-CG1 3.89Å; F535-V540 HydrophobicContact CD1-CG2 4.2Å; F535-V540 HydrophobicContact CE1-CG1 4.24Å; F535-V540 HydrophobicContact CE1-CG2 4.05Å; F535-V540 HydrophobicContact CG-CG1 4.42Å; V540-L559 HydrophobicContact CB-CD1 3.9Å; V540-L559 HydrophobicContact CB-CD2 4.24Å; V540-L559 HydrophobicContact CB-CG 4.09Å; V540-L559 HydrophobicContact CG1-CD2 4.35Å; V540-L559 HydrophobicContact CG2-CD1 4.1Å; V540-L559 HydrophobicContact CG2-CD2 4.45Å; V540-L560 CarbonylContact C-O 3.58Å; V540-L560 VanDerWaalsContact CA-O 3.25Å; V540-L560 WeakPolarHBondContact CA-O 3.49Å
541	V	90.6	Very high	84.7	Confident	15 Å²	15	57.3 Å²	57.3	9%	0.091	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.5	177.6	-64.7	0	0	0	0	110.7	Q437 K543 L560 E562	Q437-V541 VanDerWaalsContact OE1-CA 3.27Å; V541-K543 HydrophobicContact CG2-CD 3.95Å; V541-K543 VanDerWaalsContact CG2-CE 3.46Å; V541-K543 HydrophobicContact CG2-CG 4.24Å; V541-L560 HydrophobicContact CG2-CB 4.44Å; V541-L560 PolarHBondContact N-O 2.99Å; V541-L560 PolarHBondContact O-N 3.08Å; V541-E562 HydrophobicContact CG1-CB 4.07Å; V541-E562 HydrophobicContact CG1-CG 4.32Å
542	V	91.3	Very high	83.8	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.024	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.5	168.5	-176.3	0	0	0	0	107.5	V433 F440 V510 L557 L559	V433-V542 HydrophobicContact CG1-CB 4.22Å; V433-V542 HydrophobicContact CG1-CG1 4.37Å; V433-V542 WeakPolarHBondContact CG1-O 3.32Å; F440-V542 HydrophobicContact CB-CG2 4.28Å; F440-V542 HydrophobicContact CD2-CG2 3.42Å; F440-V542 VanDerWaalsContact CD2-CG2 3.42Å; F440-V542 HydrophobicContact CE2-CG2 4.06Å; F440-V542 HydrophobicContact CG-CG2 3.97Å; V510-V542 HydrophobicContact CG1-CG1 4.14Å; V510-V542 HydrophobicContact CG1-CG2 4.38Å; V510-V542 HydrophobicContact CG2-CG1 4.4Å; V542-L557 HydrophobicContact CG1-CB 4.47Å; V542-L557 HydrophobicContact CG1-CD2 3.94Å; V542-L559 HydrophobicContact CG2-CD1 3.92Å
543	K	89	Confident	83.3	Confident	62 Å²	62	66.7 Å²	66.7	27%	0.27	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.7	174.5	-71.9	163.9	174.5	157	0	108	V541 C545 V558 L560 D561 E562 S564	V541-K543 HydrophobicContact CG2-CD 3.95Å; V541-K543 VanDerWaalsContact CG2-CE 3.46Å; V541-K543 HydrophobicContact CG2-CG 4.24Å; K543-C545 PolarHBondContact O-N 3.05Å; K543-V558 PolarHBondContact N-O 3.49Å; K543-V558 PolarHBondContact O-N 3.46Å; K543-L560 HydrophobicContact CB-CD1 4.24Å; K543-L560 HydrophobicContact CD-CB 4.37Å; K543-L560 HydrophobicContact CD-CD1 3.85Å; K543-D561 PolarHBondContact NZ-O 3.2Å; K543-E562 PolarHBondContact NZ-O 3.38Å; K543-E562 VanDerWaalsContact NZ-O 3.15Å; K543-S564 PolarHBondContact NZ-O 3.31Å; K543-S564 VanDerWaalsContact NZ-O 3.16Å
544	I	88.7	Confident	83	Confident	54 Å²	54	63.7 Å²	63.7	28%	0.277	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	127.1	163.3	-65.3	162	0	0	0	106.6	L428 T429 V433 E555 D556 L557	L428-I544 HydrophobicContact CB-CD1 3.88Å; L428-I544 HydrophobicContact CB-CG1 4.1Å; L428-I544 WeakPolarHBondContact O-CD1 3.32Å; T429-I544 WeakPolarHBondContact O-CD1 3.33Å; V433-I544 HydrophobicContact CG2-CD1 4.01Å; V433-I544 HydrophobicContact CG2-CG1 3.74Å; I544-E555 HydrophobicContact CG2-CB 3.99Å; I544-E555 HydrophobicContact CG2-CG 4.41Å; I544-D556 WeakPolarHBondContact CA-O 3.37Å; I544-L557 HydrophobicContact CG1-CD2 3.9Å
545	C	86.1	Confident	82.9	Confident	9 Å²	9	66.9 Å²	66.9	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.7	-178.2	-68.2	0	0	0	0	110.2	K543 D556 V558 L569	K543-C545 PolarHBondContact O-N 3.05Å; C545-D556 PolarHBondContact N-O 2.91Å; C545-D556 PolarHBondContact O-N 3.35Å; C545-V558 HydrophobicContact CB-CB 4.06Å; C545-V558 HydrophobicContact CB-CG2 3.8Å; C545-L569 HydrophobicContact CB-CD1 3.46Å; C545-L569 VanDerWaalsContact CB-CD1 3.46Å
546	K	85.3	Confident	82.8	Confident	127 Å²	127	66.7 Å²	66.7	55%	0.552	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.2	172	-71.1	-177.9	154.2	-152.6	0	110.5	E553 I554	K546-E553 WeakPolarHBondContact CD-OE2 3.38Å; K546-E553 WeakPolarHBondContact CE-OE2 3.48Å; K546-E553 IonicContact NZ-OE2 2.68Å; K546-E553 PolarHBondContact NZ-OE2 3.18Å; K546-I554 CarbonylContact C-O 3.59Å; K546-I554 VanDerWaalsContact CA-O 3.32Å; K546-I554 WeakPolarHBondContact CA-O 3.41Å
547	R	82	Confident	82.8	Confident	5 Å²	5	62.7 Å²	62.7	2%	0.019	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	157.1	172	-63.3	-179.7	73.1	-162.1	3	109.2	E504 Y511 E553 I554 D556 V558 L569 P570 P571 A572	E504-R547 IonicContact OE1-NH1 3.36Å; E504-R547 IonicContact OE2-CZ 2.63Å; E504-R547 VanDerWaalsContact OE2-CZ 3.26Å; E504-R547 IonicContact OE2-NH1 2.63Å; E504-R547 PolarHBondContact OE2-NH1 3Å; E504-R547 IonicContact OE2-NH2 3.93Å; E504-R547 PolarHBondContact OE2-NH2 2.79Å; Y511-R547 VanDerWaalsContact CD2-NH1 3.26Å; R547-E553 WeakPolarHBondContact O-CA 3.48Å; R547-I554 HydrophobicContact CB-CG1 4.42Å; R547-I554 PolarHBondContact N-O 3.35Å; R547-I554 WeakPolarHBondContact O-CG1 3.22Å; R547-I554 PolarHBondContact O-N 2.84Å; R547-D556 VanDerWaalsContact CD-OD2 3.24Å; R547-D556 WeakPolarHBondContact CD-OD2 3.38Å; R547-D556 HydrophobicContact CG-CB 4.22Å; R547-D556 IonicContact CZ-OD2 3.83Å; R547-D556 IonicContact NE-OD2 2.85Å; R547-D556 IonicContact NH1-OD2 3.05Å; R547-D556 PolarHBondContact NH1-OD2 3.41Å; R547-V558 HydrophobicContact CG-CG2 4.45Å; R547-L569 HydrophobicContact CG-CB 4.16Å; R547-L569 HydrophobicContact CG-CD1 4.06Å; R547-P570 PolarHBondContact NE-O 2.98Å; R547-P570 PolarHBondContact NH2-O 3.44Å; R547-P571 PolarHBondContact NH2-O 3.44Å; R547-A572 HydrophobicContact CB-CB 4.5Å
548	K	78.6	Confident	83.3	Confident	119 Å²	119	58.1 Å²	58.1	52%	0.517	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.6	171.2	-68.6	-172.3	175.9	-172	0	110.7	S552 P571 A572	K548-S552 CarbonylContact C-O 3.52Å; K548-S552 VanDerWaalsContact CA-O 3.29Å; K548-S552 WeakPolarHBondContact CA-O 3.34Å; K548-P571 HydrophobicContact CB-CB 4.29Å; K548-P571 CarbonylContact O-C 3.56Å; K548-P571 WeakPolarHBondContact O-CA 3.42Å; K548-P571 VanDerWaalsContact O-CB 3.3Å; K548-P571 WeakPolarHBondContact O-CB 3.49Å; K548-A572 PolarHBondContact O-N 2.74Å
549	Y	77.1	Confident	83.9	Confident	44 Å²	44	51.4 Å²	51.4	17%	0.173	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	116.1	171.2	178.7	-109.6	0	0	0	108.8	G551 S552 I554 A572 H575	Y549-G551 VanDerWaalsContact C-N 3.3Å; Y549-G551 PolarHBondContact O-N 2.88Å; Y549-S552 PolarHBondContact N-O 2.81Å; Y549-S552 PolarHBondContact O-N 3.11Å; Y549-I554 HydrophobicContact CG-CD1 4.34Å; Y549-A572 HydrophobicContact CD2-CB 4.37Å; Y549-A572 WeakPolarHBondContact CD2-O 3.36Å; Y549-H575 AromaticContact CD1-CD2 3.86Å; Y549-H575 HydrophobicContact CE1-CB 4.12Å
550	R	71.9	Confident	84	Confident	183 Å²	183	48.1 Å²	48.1	69%	0.691	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	48.8	-178.2	-62	179.9	172.6	-90.1	-2	112.4	D490 S552	D490-R550 PolarHBondContact OD2-N 3.04Å; R550-S552 VanDerWaalsContact C-N 3.25Å; R550-S552 PolarHBondContact O-N 2.75Å
551	G	69.3	Low	83.8	Confident	54 Å²	54	48.7 Å²	48.7	56%	0.557	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	-17.7	-177.2	0	0	0	0	0	116.9	D490 Y549	D490-G551 PolarHBondContact OD2-N 3.25Å; Y549-G551 VanDerWaalsContact C-N 3.3Å; Y549-G551 PolarHBondContact O-N 2.88Å
552	S	73.3	Confident	83.4	Confident	76 Å²	76	52.3 Å²	52.3	53%	0.531	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	151.8	179.2	-66.7	0	0	0	0	112.7	K548 Y549 R550	K548-S552 CarbonylContact C-O 3.52Å; K548-S552 VanDerWaalsContact CA-O 3.29Å; K548-S552 WeakPolarHBondContact CA-O 3.34Å; Y549-S552 PolarHBondContact N-O 2.81Å; Y549-S552 PolarHBondContact O-N 3.11Å; R550-S552 VanDerWaalsContact C-N 3.25Å; R550-S552 PolarHBondContact O-N 2.75Å
553	E	80.4	Confident	82.3	Confident	123 Å²	123	58.3 Å²	58.3	58%	0.575	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.1	165.2	-70.7	-167.3	160.5	0	0	110.7	K546 R547	K546-E553 WeakPolarHBondContact CD-OE2 3.38Å; K546-E553 WeakPolarHBondContact CE-OE2 3.48Å; K546-E553 IonicContact NZ-OE2 2.68Å; K546-E553 PolarHBondContact NZ-OE2 3.18Å; R547-E553 WeakPolarHBondContact O-CA 3.48Å
554	I	83.5	Confident	81.4	Confident	19 Å²	19	56.8 Å²	56.8	10%	0.097	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.7	174.1	58	154.8	0	0	0	110.2	K546 R547 Y549 A572 P576	K546-I554 CarbonylContact C-O 3.59Å; K546-I554 VanDerWaalsContact CA-O 3.32Å; K546-I554 WeakPolarHBondContact CA-O 3.41Å; R547-I554 HydrophobicContact CB-CG1 4.42Å; R547-I554 PolarHBondContact N-O 3.35Å; R547-I554 WeakPolarHBondContact O-CG1 3.22Å; R547-I554 PolarHBondContact O-N 2.84Å; Y549-I554 HydrophobicContact CG-CD1 4.34Å; I554-A572 HydrophobicContact CD1-CB 3.84Å; I554-P576 VanDerWaalsContact CD1-CD 3.46Å; I554-P576 HydrophobicContact CD1-CG 3.99Å
555	E	85.1	Confident	80.1	Confident	97 Å²	97	64.6 Å²	64.6	45%	0.453	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.2	170.2	-64.8	-174.9	152	0	0	109.6	L428 I544	L428-E555 HydrophobicContact CD1-CB 4.37Å; L428-E555 WeakPolarHBondContact CD1-O 3.47Å; I544-E555 HydrophobicContact CG2-CB 3.99Å; I544-E555 HydrophobicContact CG2-CG 4.41Å
556	D	87.3	Confident	79	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.7	-177.7	-164.6	5.6	0	0	0	110.7	R506 I544 C545 R547 V558 P576	R506-D556 IonicContact CZ-OD1 2.76Å; R506-D556 IonicContact CZ-OD2 2.65Å; R506-D556 IonicContact NH1-OD1 3.26Å; R506-D556 PolarHBondContact NH1-OD1 2.9Å; R506-D556 IonicContact NH1-OD2 2.8Å; R506-D556 PolarHBondContact NH1-OD2 3.2Å; R506-D556 IonicContact NH2-OD1 2.66Å; R506-D556 IonicContact NH2-OD2 3.57Å; R506-D556 PolarHBondContact NH2-OD2 2.96Å; I544-D556 WeakPolarHBondContact CA-O 3.37Å; C545-D556 PolarHBondContact N-O 2.91Å; C545-D556 PolarHBondContact O-N 3.35Å; R547-D556 VanDerWaalsContact CD-OD2 3.24Å; R547-D556 WeakPolarHBondContact CD-OD2 3.38Å; R547-D556 HydrophobicContact CG-CB 4.22Å; R547-D556 IonicContact CZ-OD2 3.83Å; R547-D556 IonicContact NE-OD2 2.85Å; R547-D556 IonicContact NH1-OD2 3.05Å; R547-D556 PolarHBondContact NH1-OD2 3.41Å; D556-V558 HydrophobicContact CB-CG2 4.24Å; D556-P576 HydrophobicContact CB-CG 3.9Å; D556-P576 WeakPolarHBondContact OD1-CG 3.19Å
557	L	88	Confident	77.6	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.016	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	114.8	172.7	-74.3	166.4	0	0	0	108.8	L428 D432 V433 K436 V510 Y511 V542 I544	L428-L557 HydrophobicContact CD1-CG 4.12Å; L428-L557 HydrophobicContact CD2-CD1 3.82Å; L428-L557 HydrophobicContact CD2-CG 3.93Å; D432-L557 HydrophobicContact CB-CD1 4.44Å; V433-L557 HydrophobicContact CG2-CD2 3.72Å; K436-L557 HydrophobicContact CD-CD1 3.69Å; V510-L557 CarbonylContact C-O 3.44Å; V510-L557 WeakPolarHBondContact CA-O 3.4Å; V510-L557 HydrophobicContact CB-CB 4.36Å; V510-L557 HydrophobicContact CG1-CB 4.26Å; V510-L557 WeakPolarHBondContact CG1-O 3.26Å; V510-L557 HydrophobicContact CG2-CB 4.03Å; V510-L557 HydrophobicContact CG2-CD1 4.38Å; Y511-L557 PolarHBondContact N-O 3.47Å; V542-L557 HydrophobicContact CG1-CB 4.47Å; V542-L557 HydrophobicContact CG1-CD2 3.94Å; I544-L557 HydrophobicContact CG1-CD2 3.9Å
558	V	89.6	Confident	76.6	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.8	-171.5	177.2	0	0	0	0	109.5	Y511 K543 C545 R547 D556 L560 L569	Y511-V558 HydrophobicContact CD1-CB 4.41Å; Y511-V558 HydrophobicContact CD1-CG1 3.82Å; Y511-V558 HydrophobicContact CD1-CG2 4.3Å; Y511-V558 HydrophobicContact CE1-CG1 4.33Å; K543-V558 PolarHBondContact N-O 3.49Å; K543-V558 PolarHBondContact O-N 3.46Å; C545-V558 HydrophobicContact CB-CB 4.06Å; C545-V558 HydrophobicContact CB-CG2 3.8Å; R547-V558 HydrophobicContact CG-CG2 4.45Å; D556-V558 HydrophobicContact CB-CG2 4.24Å; V558-L560 HydrophobicContact CG1-CD1 4.28Å; V558-L560 HydrophobicContact CG1-CD2 3.99Å; V558-L560 HydrophobicContact CG1-CG 3.81Å; V558-L569 HydrophobicContact CB-CD1 4.48Å; V558-L569 HydrophobicContact CG1-CD1 3.98Å; V558-L569 HydrophobicContact CG1-CD2 3.77Å; V558-L569 HydrophobicContact CG2-CD1 4.08Å
559	L	89.4	Confident	76.4	Confident	1 Å²	1	70 Å²	70	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126.8	168.5	-165.7	70.8	0	0	0	109.6	F440 V510 Y511 L512 F535 V540 V542	F440-L559 HydrophobicContact CB-CD1 3.83Å; F440-L559 HydrophobicContact CD1-CD1 3.76Å; F440-L559 HydrophobicContact CD1-CD2 3.9Å; F440-L559 HydrophobicContact CD1-CG 4.43Å; F440-L559 HydrophobicContact CD2-CD1 4.48Å; F440-L559 HydrophobicContact CE1-CD2 4.41Å; F440-L559 HydrophobicContact CG-CD1 3.74Å; V510-L559 HydrophobicContact CG1-CB 4.26Å; Y511-L559 WeakPolarHBondContact O-CB 3.33Å; Y511-L559 PolarHBondContact O-N 2.96Å; L512-L559 HydrophobicContact CD2-CB 4.26Å; L512-L559 HydrophobicContact CD2-CD2 3.56Å; F535-L559 HydrophobicContact CE1-CD2 3.84Å; F535-L559 HydrophobicContact CE2-CD2 4.11Å; F535-L559 HydrophobicContact CZ-CD2 3.43Å; F535-L559 VanDerWaalsContact CZ-CD2 3.43Å; V540-L559 HydrophobicContact CB-CD1 3.9Å; V540-L559 HydrophobicContact CB-CD2 4.24Å; V540-L559 HydrophobicContact CB-CG 4.09Å; V540-L559 HydrophobicContact CG1-CD2 4.35Å; V540-L559 HydrophobicContact CG2-CD1 4.1Å; V540-L559 HydrophobicContact CG2-CD2 4.45Å; V542-L559 HydrophobicContact CG2-CD1 3.92Å
560	L	86.9	Confident	76.4	Confident	14 Å²	14	69.9 Å²	69.9	7%	0.073	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	169.8	-178.2	-73.1	175.3	0	0	0	110.6	V540 V541 K543 V558 P566 L569	V540-L560 CarbonylContact C-O 3.58Å; V540-L560 VanDerWaalsContact CA-O 3.25Å; V540-L560 WeakPolarHBondContact CA-O 3.49Å; V541-L560 HydrophobicContact CG2-CB 4.44Å; V541-L560 PolarHBondContact N-O 2.99Å; V541-L560 PolarHBondContact O-N 3.08Å; K543-L560 HydrophobicContact CB-CD1 4.24Å; K543-L560 HydrophobicContact CD-CB 4.37Å; K543-L560 HydrophobicContact CD-CD1 3.85Å; V558-L560 HydrophobicContact CG1-CD1 4.28Å; V558-L560 HydrophobicContact CG1-CD2 3.99Å; V558-L560 HydrophobicContact CG1-CG 3.81Å; L560-P566 HydrophobicContact CD1-CB 3.87Å; L560-P566 HydrophobicContact CD1-CG 4.42Å; L560-L569 HydrophobicContact CD2-CD2 4.29Å
561	D	86.7	Confident	76.4	Confident	14 Å²	14	62.2 Å²	62.2	8%	0.075	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	147.4	167	164.8	49.7	0	0	0	110	K537 K543 E563 S564	K537-D561 HydrophobicContact CB-CB 4.2Å; K537-D561 WeakPolarHBondContact CB-OD1 3.34Å; K537-D561 HydrophobicContact CD-CB 3.62Å; K537-D561 VanDerWaalsContact CD-CG 3.47Å; K537-D561 VanDerWaalsContact CD-OD2 3.32Å; K537-D561 WeakPolarHBondContact CD-OD2 3.5Å; K537-D561 IonicContact NZ-OD2 2.75Å; K543-D561 PolarHBondContact NZ-O 3.2Å; D561-E563 VanDerWaalsContact C-N 3.34Å; D561-E563 PolarHBondContact O-N 3.26Å; D561-S564 PolarHBondContact N-OG 3.09Å; D561-S564 VanDerWaalsContact N-OG 3.16Å; D561-S564 PolarHBondContact O-N 3.17Å; D561-S564 VanDerWaalsContact O-N 3.09Å; D561-S564 PolarHBondContact O-OG 3.38Å
562	E	81.3	Confident	76.8	Confident	90 Å²	90	59.8 Å²	59.8	42%	0.421	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-47.9	-172.5	-179.2	152.3	-108.4	0	0	111.8	K539 V541 K543 S564	K539-E562 HydrophobicContact CB-CB 4.3Å; K539-E562 HydrophobicContact CD-CB 4.33Å; K539-E562 VanDerWaalsContact CD-CD 3.41Å; K539-E562 HydrophobicContact CD-CG 4.49Å; K539-E562 WeakPolarHBondContact CD-OE1 3.43Å; K539-E562 WeakPolarHBondContact CD-OE2 3.37Å; K539-E562 IonicContact NZ-OE1 2.71Å; K539-E562 PolarHBondContact NZ-OE1 3.23Å; K539-E562 IonicContact NZ-OE2 2.65Å; K539-E562 PolarHBondContact NZ-OE2 3.4Å; K539-E562 PolarHBondContact O-N 2.99Å; V541-E562 HydrophobicContact CG1-CB 4.07Å; V541-E562 HydrophobicContact CG1-CG 4.32Å; K543-E562 PolarHBondContact NZ-O 3.38Å; K543-E562 VanDerWaalsContact NZ-O 3.15Å; E562-S564 VanDerWaalsContact C-N 3.29Å; E562-S564 PolarHBondContact O-N 2.8Å
563	E	69.7	Low	76.6	Confident	131 Å²	131	56.8 Å²	56.8	61%	0.612	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-10.7	-179	-62.2	-179.1	168.5	0	0	113.2	K538 D561	K538-E563 WeakPolarHBondContact CD-OE1 3.39Å; K538-E563 IonicContact NZ-OE1 3.71Å; K538-E563 PolarHBondContact NZ-OE1 3.11Å; K538-E563 IonicContact NZ-OE2 3.89Å; K538-E563 PolarHBondContact NZ-OE2 3.4Å; D561-E563 VanDerWaalsContact C-N 3.34Å; D561-E563 PolarHBondContact O-N 3.26Å
564	S	69.1	Low	76	Confident	30 Å²	30	53.8 Å²	53.8	21%	0.21	27%	0.271	C	S	.	.			trans	-79.8	132.1	-178.8	73	0	0	0	0	112.8	K543 D561 E562	K543-S564 PolarHBondContact NZ-O 3.31Å; K543-S564 VanDerWaalsContact NZ-O 3.16Å; D561-S564 PolarHBondContact N-OG 3.09Å; D561-S564 VanDerWaalsContact N-OG 3.16Å; D561-S564 PolarHBondContact O-N 3.17Å; D561-S564 VanDerWaalsContact O-N 3.09Å; D561-S564 PolarHBondContact O-OG 3.38Å; E562-S564 VanDerWaalsContact C-N 3.29Å; E562-S564 PolarHBondContact O-N 2.8Å
565	R	62.1	Low	75.2	Confident	217 Å²	217	55.1 Å²	55.1	82%	0.819	28%	0.277	S	S	*	.			trans	-85.3	136	164.3	-61	-174	-173.8	-164.3	2.2	108.7	V567	R565-V567 VanDerWaalsContact C-N 3.33Å; R565-V567 HydrophobicContact CB-CG2 4.12Å; R565-V567 PolarHBondContact O-N 2.81Å
566	P	62.8	Low	74.1	Confident	70 Å²	70	50.9 Å²	50.9	46%	0.455	26%	0.258	S	S	.	.			trans	-72	86.3	176.1	28.9	-33.6	0	0	0	110.8	L560 L569	L560-P566 HydrophobicContact CD1-CB 3.87Å; L560-P566 HydrophobicContact CD1-CG 4.42Å; P566-L569 HydrophobicContact CB-CD1 4.28Å
567	V	54.8	Low	72.7	Confident	105 Å²	105	55 Å²	55	64%	0.636	28%	0.277	S	S	*	.			trans	-111.1	121.3	174.4	-172.6	0	0	0	0	107.9	R565	R565-V567 VanDerWaalsContact C-N 3.33Å; R565-V567 HydrophobicContact CB-CG2 4.12Å; R565-V567 PolarHBondContact O-N 2.81Å
568	N	61	Low	71.2	Confident	156 Å²	156	59.7 Å²	59.7	83%	0.834	30%	0.299	S	S	*	.	S	Bend	trans	57.5	60.1	178	-55.6	-26.7	0	0	0	114.9
569	L	75.3	Confident	69.6	Low	42 Å²	42	61.5 Å²	61.5	22%	0.22	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-65.4	144	164.6	-72.1	169.3	0	0	0	111	C545 R547 V558 L560 P566	C545-L569 HydrophobicContact CB-CD1 3.46Å; C545-L569 VanDerWaalsContact CB-CD1 3.46Å; R547-L569 HydrophobicContact CG-CB 4.16Å; R547-L569 HydrophobicContact CG-CD1 4.06Å; V558-L569 HydrophobicContact CB-CD1 4.48Å; V558-L569 HydrophobicContact CG1-CD1 3.98Å; V558-L569 HydrophobicContact CG1-CD2 3.77Å; V558-L569 HydrophobicContact CG2-CD1 4.08Å; L560-L569 HydrophobicContact CD2-CD2 4.29Å; P566-L569 HydrophobicContact CB-CD1 4.28Å
570	P	76.1	Confident	67.8	Low	43 Å²	43	67.3 Å²	67.3	28%	0.279	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-66	152.1	174.8	28.7	-34.1	0	0	0	110.9	Y511 R547	Y511-P570 WeakPolarHBondContact OH-CG 3.38Å; R547-P570 PolarHBondContact NE-O 2.98Å; R547-P570 PolarHBondContact NH2-O 3.44Å
571	P	73.6	Confident	66.8	Low	22 Å²	22	70 Å²	70	14%	0.143	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-56.4	148.4	175.1	26.3	-35.2	0	0	0	111	D490 L491 R547 K548	D490-P571 HydrophobicContact CB-CB 4.22Å; D490-P571 HydrophobicContact CB-CG 4.29Å; L491-P571 HydrophobicContact CD1-CG 3.58Å; L491-P571 HydrophobicContact CG-CG 3.93Å; R547-P571 PolarHBondContact NH2-O 3.44Å; K548-P571 HydrophobicContact CB-CB 4.29Å; K548-P571 CarbonylContact O-C 3.56Å; K548-P571 WeakPolarHBondContact O-CA 3.42Å; K548-P571 VanDerWaalsContact O-CB 3.3Å; K548-P571 WeakPolarHBondContact O-CB 3.49Å
572	A	76.3	Confident	65.8	Low	3 Å²	3	72.9 Å²	72.9	3%	0.025	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-73.5	145.1	175.2	0	0	0	0	0	110.5	R547 K548 Y549 I554	R547-A572 HydrophobicContact CB-CB 4.5Å; K548-A572 PolarHBondContact O-N 2.74Å; Y549-A572 HydrophobicContact CD2-CB 4.37Å; Y549-A572 WeakPolarHBondContact CD2-O 3.36Å; I554-A572 HydrophobicContact CD1-CB 3.84Å
573	L	70.7	Confident	64.9	Low	12 Å²	12	72 Å²	72	6%	0.063	36%	0.364	C	S	.	.	S	Bend	trans	-92.5	-15.8	174.8	-59.8	-167	0	0	0	113.2	V483 L488 V502 E504	V483-L573 HydrophobicContact CB-CD1 4.26Å; V483-L573 HydrophobicContact CG2-CB 3.91Å; V483-L573 HydrophobicContact CG2-CD1 4.13Å; V483-L573 HydrophobicContact CG2-CG 4.44Å; L488-L573 HydrophobicContact CD1-CD2 3.59Å; L488-L573 HydrophobicContact CD2-CD2 3.95Å; L488-L573 HydrophobicContact CG-CD2 4.45Å; V502-L573 HydrophobicContact CB-CD1 4.05Å; V502-L573 HydrophobicContact CG1-CD1 3.89Å; V502-L573 HydrophobicContact CG1-CD2 4.24Å; E504-L573 HydrophobicContact CB-CB 3.94Å; E504-L573 HydrophobicContact CB-CD1 3.55Å; E504-L573 HydrophobicContact CB-CG 3.72Å; E504-L573 PolarHBondContact OE2-N 3.07Å
574	K	67.1	Low	64.6	Low	60 Å²	60	68.5 Å²	68.5	26%	0.261	35%	0.349	S	S	.	.	S	Bend	trans	-140.1	158.2	176.3	-100.3	-173	167.4	-87	0	111.2	F481 E578 L579	F481-K574 HydrophobicContact CD1-CD 3.6Å; F481-K574 HydrophobicContact CE1-CD 3.67Å; F481-K574 HydrophobicContact CG-CD 4.05Å; F481-K574 HydrophobicContact CZ-CD 4.18Å; K574-E578 IonicContact NZ-OE2 3.24Å; K574-E578 PolarHBondContact NZ-OE2 3.25Å; K574-L579 HydrophobicContact CB-CD1 4.17Å; K574-L579 HydrophobicContact CD-CD1 4.33Å; K574-L579 HydrophobicContact CD-CD2 4.11Å; K574-L579 HydrophobicContact CD-CG 4.48Å
575	H	66.4	Low	64.3	Low	48 Å²	48	70.9 Å²	70.9	22%	0.222	36%	0.358	C	S	.	.			trans	-77.5	129.5	171.9	-156.1	-112.9	0	0	0	110.8	Y549 Q577 E578	Y549-H575 AromaticContact CD1-CD2 3.86Å; Y549-H575 HydrophobicContact CE1-CB 4.12Å; H575-Q577 PolarHBondContact CE1-OE1 3.15Å; H575-Q577 VanDerWaalsContact CE1-OE1 3.25Å; H575-Q577 PolarHBondContact O-N 3.22Å; H575-Q577 VanDerWaalsContact O-N 3.15Å; H575-E578 HydrophobicContact CB-CG 4.13Å; H575-E578 WeakPolarHBondContact CB-OE1 3.4Å; H575-E578 WeakPolarHBondContact O-CB 3.38Å; H575-E578 PolarHBondContact O-N 2.68Å
576	P	61.3	Low	64.5	Low	8 Å²	8	61.2 Å²	61.2	5%	0.052	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-61.2	-25.4	-176.8	-28.4	37.6	0	0	0	114.7	I554 D556 E578 L579	I554-P576 VanDerWaalsContact CD1-CD 3.46Å; I554-P576 HydrophobicContact CD1-CG 3.99Å; D556-P576 HydrophobicContact CB-CG 3.9Å; D556-P576 WeakPolarHBondContact OD1-CG 3.19Å; P576-E578 VanDerWaalsContact C-N 3.27Å; P576-E578 PolarHBondContact O-N 2.95Å; P576-L579 PolarHBondContact O-N 3.07Å
577	Q	58.7	Low	64.6	Low	85 Å²	85	60.6 Å²	60.6	40%	0.397	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-75.6	-9.6	175.4	-65.5	172.5	-24.5	0	0	113.8	C426 H575	C426-Q577 PolarHBondContact O-NE2 3.04Å; H575-Q577 PolarHBondContact CE1-OE1 3.15Å; H575-Q577 VanDerWaalsContact CE1-OE1 3.25Å; H575-Q577 PolarHBondContact O-N 3.22Å; H575-Q577 VanDerWaalsContact O-N 3.15Å
578	E	55.9	Low	65.4	Low	103 Å²	103	57.2 Å²	57.2	48%	0.481	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-81.2	-0.9	167.1	-64	169.2	-145.8	0	0	112.5	K574 H575 P576	K574-E578 IonicContact NZ-OE2 3.24Å; K574-E578 PolarHBondContact NZ-OE2 3.25Å; H575-E578 HydrophobicContact CB-CG 4.13Å; H575-E578 WeakPolarHBondContact CB-OE1 3.4Å; H575-E578 WeakPolarHBondContact O-CB 3.38Å; H575-E578 PolarHBondContact O-N 2.68Å; P576-E578 VanDerWaalsContact C-N 3.27Å; P576-E578 PolarHBondContact O-N 2.95Å
579	L	56.8	Low	65.7	Low	38 Å²	38	48.9 Å²	48.9	20%	0.199	25%	0.249	C	C	.	.			trans	-134.8	20.9	-164.9	-58.9	176.1	0	0	0	112.9	F481 R506 S509 K574 P576	F481-L579 HydrophobicContact CE1-CD2 4.19Å; F481-L579 HydrophobicContact CE2-CD1 4.15Å; F481-L579 HydrophobicContact CE2-CD2 4.26Å; F481-L579 HydrophobicContact CZ-CD1 4.28Å; F481-L579 HydrophobicContact CZ-CD2 3.58Å; R506-L579 VanDerWaalsContact CD-CD1 3.42Å; S509-L579 WeakPolarHBondContact CB-O 3.39Å; S509-L579 PolarHBondContact OG-O 3.33Å; K574-L579 HydrophobicContact CB-CD1 4.17Å; K574-L579 HydrophobicContact CD-CD1 4.33Å; K574-L579 HydrophobicContact CD-CD2 4.11Å; K574-L579 HydrophobicContact CD-CG 4.48Å; P576-L579 PolarHBondContact O-N 3.07Å
580	L	50.8	Low	64.9	Low	123 Å²	123	49.5 Å²	49.5	64%	0.644	25%	0.251	S	S	*	.			trans	-113	0	-174.9	-100.6	165.5	0	0	0	111.8	L428	L428-L580 HydrophobicContact CD2-CD1 4.13Å

Retrieved 580 of 580 residues in 1442.5 ms (Link to these results)

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