A0A3Q0KEE1_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KEE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 786 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	23.6	Very low	56.3	Low	220 Å²	220	60.6 Å²	60.6	100%	1.084	30%	0.304	S	S	*	.				0	80.7	0	-82.2	-172.2	-178.7	0	0	109.1
2	R	32	Very low	57.7	Low	118 Å²	118	66.7 Å²	66.7	45%	0.445	34%	0.338	S	S	.	.			trans	-115.9	98.4	166.8	-60.8	176	-176.8	-174.2	2.9	108.2	I4 T81 E85	R2-I4 VanDerWaalsContact C-N 3.33Å; R2-I4 PolarHBondContact O-N 3.49Å; R2-T81 WeakPolarHBondContact O-CG2 3.38Å; R2-T81 PolarHBondContact O-OG1 3.43Å; R2-E85 WeakPolarHBondContact CB-OE1 3.28Å; R2-E85 WeakPolarHBondContact CD-OE1 3.42Å; R2-E85 WeakPolarHBondContact CG-OE1 3.44Å; R2-E85 PolarHBondContact N-OE1 3.37Å
3	Q	30.4	Very low	59.5	Low	100 Å²	100	63.5 Å²	63.5	47%	0.467	32%	0.322	S	S	.	.			trans	-75	88.3	173.4	-85.3	180	-8	0	0	109.2	G5	Q3-G5 PolarHBondContact O-N 3.42Å
4	I	38.8	Very low	61.4	Low	64 Å²	64	62.2 Å²	62.2	33%	0.328	32%	0.319	S	S	.	.			trans	-69.5	98.1	169.9	-63.1	170.8	0	0	0	106.6	R2 G6 W8 M84	R2-I4 VanDerWaalsContact C-N 3.33Å; R2-I4 PolarHBondContact O-N 3.49Å; I4-G6 PolarHBondContact O-N 3.43Å; I4-W8 PolarHBondContact O-NE1 3.25Å; I4-M84 HydrophobicContact CD1-CE 3.43Å; I4-M84 VanDerWaalsContact CD1-CE 3.43Å; I4-M84 HydrophobicContact CD1-SD 3.95Å
5	G	47.9	Very low	63.1	Low	26 Å²	26	59.3 Å²	59.3	27%	0.268	31%	0.311	S	S	.	.			trans	-46.3	136.9	-175.4	0	0	0	0	0	112.7	Q3 R7	Q3-G5 PolarHBondContact O-N 3.42Å; G5-R7 PolarHBondContact O-N 3.3Å
6	G	58.7	Low	64.7	Low	24 Å²	24	63.9 Å²	63.9	25%	0.247	34%	0.335	C	S	.	.	S	Bend	trans	-65.7	41.5	-167.5	0	0	0	0	0	117.2	I4 F9	I4-G6 PolarHBondContact O-N 3.43Å; G6-F9 WeakPolarHBondContact O-CB 3.41Å; G6-F9 PolarHBondContact O-N 2.97Å; G6-F9 VanDerWaalsContact O-N 3.13Å
7	R	67.9	Low	66.2	Low	17 Å²	17	65.6 Å²	65.6	6%	0.064	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-19	169.2	-92.1	-164.2	162.1	-144.8	-20.1	112.4	G5 F9 I105 S106 D108 N314 D593	G5-R7 PolarHBondContact O-N 3.3Å; R7-F9 PolarHBondContact O-N 3.47Å; R7-I105 HydrophobicContact CB-CB 4.31Å; R7-I105 HydrophobicContact CB-CD1 4.26Å; R7-I105 HydrophobicContact CB-CG1 3.87Å; R7-I105 HydrophobicContact CB-CG2 3.8Å; R7-I105 HydrophobicContact CG-CG2 4.26Å; R7-I105 CarbonylContact O-C 3.58Å; R7-I105 WeakPolarHBondContact O-CA 3.31Å; R7-S106 WeakPolarHBondContact O-CB 3.49Å; R7-S106 PolarHBondContact O-N 3.02Å; R7-D108 IonicContact CZ-OD1 3.68Å; R7-D108 IonicContact NH1-OD1 3.83Å; R7-D108 IonicContact NH2-OD1 2.7Å; R7-D108 PolarHBondContact NH2-OD1 3.46Å; R7-D108 IonicContact NH2-OD2 3.5Å; R7-N314 PolarHBondContact NE-ND2 3.41Å; R7-D593 IonicContact CZ-OD2 2.71Å; R7-D593 VanDerWaalsContact CZ-OD2 3.31Å; R7-D593 IonicContact NE-OD2 2.8Å; R7-D593 IonicContact NH1-OD1 3.16Å; R7-D593 PolarHBondContact NH1-OD1 3.39Å; R7-D593 IonicContact NH1-OD2 3.99Å; R7-D593 PolarHBondContact NH1-OD2 2.65Å
8	W	80.6	Confident	67.5	Low	5 Å²	5	61.9 Å²	61.9	2%	0.019	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-4.8	165.6	47.9	-100	0	0	0	113.1	I4 H10 F31 L32 A33 L76 V80 P103	I4-W8 PolarHBondContact O-NE1 3.25Å; W8-H10 PolarHBondContact O-CD2 3.1Å; W8-F31 HydrophobicContact CB-CE2 4.04Å; W8-F31 HydrophobicContact CD2-CE2 4.38Å; W8-F31 HydrophobicContact CG-CE2 4Å; W8-L32 CarbonylContact O-C 3.41Å; W8-L32 WeakPolarHBondContact O-CA 3.4Å; W8-A33 HydrophobicContact CE3-CB 3.39Å; W8-A33 HydrophobicContact CZ3-CB 3.34Å; W8-A33 PolarHBondContact O-N 3.08Å; W8-L76 HydrophobicContact CH2-CD2 4.23Å; W8-L76 HydrophobicContact CH2-CG 3.84Å; W8-L76 HydrophobicContact CZ3-CD2 3.97Å; W8-L76 HydrophobicContact CZ3-CG 3.96Å; W8-V80 HydrophobicContact CD2-CG1 4.09Å; W8-V80 HydrophobicContact CE3-CG1 4.39Å; W8-V80 HydrophobicContact CE3-CG2 4.16Å; W8-V80 HydrophobicContact CH2-CB 3.71Å; W8-V80 HydrophobicContact CH2-CG1 4.21Å; W8-V80 HydrophobicContact CH2-CG2 3.45Å; W8-V80 VanDerWaalsContact CH2-CG2 3.45Å; W8-V80 HydrophobicContact CZ2-CB 3.66Å; W8-V80 HydrophobicContact CZ2-CG1 3.86Å; W8-V80 HydrophobicContact CZ2-CG2 3.95Å; W8-V80 HydrophobicContact CZ3-CB 4.21Å; W8-V80 HydrophobicContact CZ3-CG1 4.46Å; W8-V80 HydrophobicContact CZ3-CG2 3.56Å; W8-P103 HydrophobicContact CB-CB 3.87Å; W8-P103 HydrophobicContact CG-CB 4.36Å
9	F	82.8	Confident	68.9	Low	31 Å²	31	62.5 Å²	62.5	14%	0.136	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-89.9	118.1	174.2	-169.3	-96.8	0	0	0	111.1	G6 R7 H11 A33 P35 F43 L76	G6-F9 WeakPolarHBondContact O-CB 3.41Å; G6-F9 PolarHBondContact O-N 2.97Å; G6-F9 VanDerWaalsContact O-N 3.13Å; R7-F9 PolarHBondContact O-N 3.47Å; F9-H11 AromaticContact CD1-CD2 3.93Å; F9-H11 AromaticContact CD1-NE2 3.84Å; F9-H11 AromaticContact CE1-CD2 3.74Å; F9-A33 CarbonylContact C-O 3.57Å; F9-A33 WeakPolarHBondContact CA-O 3.32Å; F9-A33 HydrophobicContact CD2-CB 3.92Å; F9-P35 HydrophobicContact CE1-CG 4.3Å; F9-P35 HydrophobicContact CZ-CG 3.81Å; F9-F43 AromaticContact CE2-CD1 3.5Å; F9-F43 HydrophobicContact CE2-CD1 3.5Å; F9-F43 VanDerWaalsContact CE2-CD1 3.5Å; F9-F43 AromaticContact CE2-CE1 3.8Å; F9-F43 HydrophobicContact CE2-CE1 3.8Å; F9-F43 HydrophobicContact CE2-CG 4.44Å; F9-F43 AromaticContact CZ-CD1 3.75Å; F9-F43 HydrophobicContact CZ-CD1 3.75Å; F9-F43 AromaticContact CZ-CE1 3.68Å; F9-F43 HydrophobicContact CZ-CE1 3.68Å; F9-L76 HydrophobicContact CD2-CD2 3.47Å; F9-L76 VanDerWaalsContact CD2-CD2 3.47Å; F9-L76 HydrophobicContact CE2-CD2 3.5Å; F9-L76 VanDerWaalsContact CE2-CD2 3.5Å
10	H	83	Confident	69.9	Low	11 Å²	11	67.4 Å²	67.4	5%	0.051	34%	0.341	C	S	.	.			trans	-105.7	115.4	179.3	-66.8	-114.6	0	0	0	109.5	W8 N12 L13 A33 R34 P35 L104 S106	W8-H10 PolarHBondContact O-CD2 3.1Å; H10-N12 PolarHBondContact O-N 2.83Å; H10-L13 HydrophobicContact CB-CB 4.12Å; H10-L13 HydrophobicContact CB-CD1 3.44Å; H10-L13 VanDerWaalsContact CB-CD1 3.44Å; H10-L13 HydrophobicContact CB-CG 3.73Å; H10-L13 VanDerWaalsContact ND1-CD1 3.28Å; H10-L13 WeakPolarHBondContact ND1-CD1 3.03Å; H10-A33 PolarHBondContact N-O 3.38Å; H10-R34 WeakPolarHBondContact O-CA 3.45Å; H10-R34 WeakPolarHBondContact O-CB 3.41Å; H10-P35 WeakPolarHBondContact O-CD 3.48Å; H10-L104 PolarHBondContact NE2-O 2.93Å; H10-S106 WeakPolarHBondContact CE1-CA 3.33Å; H10-S106 PolarHBondContact CE1-N 3.1Å; H10-S106 PolarHBondContact NE2-N 3.09Å
11	H	74.2	Confident	70.6	Confident	51 Å²	51	65.9 Å²	65.9	24%	0.236	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-33.6	-171.6	-60.2	86	0	0	0	113.4	F9 P35	F9-H11 AromaticContact CD1-CD2 3.93Å; F9-H11 AromaticContact CD1-NE2 3.84Å; F9-H11 AromaticContact CE1-CD2 3.74Å; H11-P35 WeakPolarHBondContact O-CG 3.23Å
12	N	72.5	Confident	73.7	Confident	133 Å²	133	55.4 Å²	55.4	71%	0.711	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	37.7	-168.5	-61.7	-21.3	0	0	0	112.6	H10	H10-N12 PolarHBondContact O-N 2.83Å
13	L	80.8	Confident	76.2	Confident	25 Å²	25	52.9 Å²	52.9	13%	0.131	28%	0.28	C	S	.	.			trans	-99.6	128.8	173.3	-79.1	-178.7	0	0	0	111.5	H10 E17 A18 L21 L32 R34 H37	H10-L13 HydrophobicContact CB-CB 4.12Å; H10-L13 HydrophobicContact CB-CD1 3.44Å; H10-L13 VanDerWaalsContact CB-CD1 3.44Å; H10-L13 HydrophobicContact CB-CG 3.73Å; H10-L13 VanDerWaalsContact ND1-CD1 3.28Å; H10-L13 WeakPolarHBondContact ND1-CD1 3.03Å; L13-E17 HydrophobicContact CD2-CB 3.55Å; L13-A18 HydrophobicContact CD1-CB 4.38Å; L13-L21 HydrophobicContact CD1-CD2 3.88Å; L13-L32 HydrophobicContact CD1-CD1 4.05Å; L13-L32 HydrophobicContact CD1-CD2 3.9Å; L13-R34 HydrophobicContact CB-CB 4.44Å; L13-R34 WeakPolarHBondContact O-CD 3.46Å; L13-H37 PolarHBondContact O-CE1 2.83Å
14	T	86	Confident	78.5	Confident	46 Å²	46	54.4 Å²	54.4	28%	0.282	29%	0.291	S	S	.	.			trans	-72.4	169.9	162.1	65.7	0	0	0	0	111	E17 A18	T14-E17 VanDerWaalsContact CB-OE2 3.31Å; T14-E17 WeakPolarHBondContact CB-OE2 3.38Å; T14-E17 VanDerWaalsContact CG2-OE2 3.27Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.35Å; T14-E17 PolarHBondContact N-OE2 3.38Å; T14-E17 WeakPolarHBondContact OG1-CB 3.43Å; T14-E17 WeakPolarHBondContact OG1-CG 3.27Å; T14-E17 PolarHBondContact OG1-N 3.17Å; T14-E17 PolarHBondContact OG1-OE2 3.43Å; T14-A18 WeakPolarHBondContact O-CB 3.45Å; T14-A18 PolarHBondContact O-N 2.92Å
15	G	87.8	Confident	80.3	Confident	19 Å²	19	56 Å²	56	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-58.2	-49.7	173.2	0	0	0	0	0	112.4	E17 A18 E19	G15-E17 PolarHBondContact O-N 3.3Å; G15-A18 WeakPolarHBondContact O-CB 3.07Å; G15-A18 PolarHBondContact O-N 2.88Å; G15-A18 VanDerWaalsContact O-N 3.17Å; G15-E19 WeakPolarHBondContact O-CG 3.33Å; G15-E19 PolarHBondContact O-N 3.1Å
16	L	89	Confident	81.7	Confident	132 Å²	132	55 Å²	55	69%	0.691	29%	0.285	S	S	*	.	H	α-helix	trans	-62.5	-39.4	-179.4	-68.4	169.2	0	0	0	112.9	E19 K20	L16-E19 PolarHBondContact O-N 2.8Å; L16-K20 WeakPolarHBondContact O-CB 3.41Å; L16-K20 PolarHBondContact O-N 3.42Å
17	E	89.2	Confident	82.5	Confident	93 Å²	93	54.6 Å²	54.6	44%	0.435	28%	0.278	S	S	.	.	H	α-helix	trans	-69.4	-38.3	176.5	-67.3	161.7	145	0	0	111.4	L13 T14 G15 K20 L21	L13-E17 HydrophobicContact CD2-CB 3.55Å; T14-E17 VanDerWaalsContact CB-OE2 3.31Å; T14-E17 WeakPolarHBondContact CB-OE2 3.38Å; T14-E17 VanDerWaalsContact CG2-OE2 3.27Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.35Å; T14-E17 PolarHBondContact N-OE2 3.38Å; T14-E17 WeakPolarHBondContact OG1-CB 3.43Å; T14-E17 WeakPolarHBondContact OG1-CG 3.27Å; T14-E17 PolarHBondContact OG1-N 3.17Å; T14-E17 PolarHBondContact OG1-OE2 3.43Å; G15-E17 PolarHBondContact O-N 3.3Å; E17-K20 PolarHBondContact O-N 3.33Å; E17-L21 VanDerWaalsContact O-CB 3.23Å; E17-L21 WeakPolarHBondContact O-CB 3.22Å; E17-L21 PolarHBondContact O-N 2.76Å
18	A	90.6	Very high	83.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-42.7	173.3	0	0	0	0	0	111.8	L13 T14 G15 L21 L22 L32	L13-A18 HydrophobicContact CD1-CB 4.38Å; T14-A18 WeakPolarHBondContact O-CB 3.45Å; T14-A18 PolarHBondContact O-N 2.92Å; G15-A18 WeakPolarHBondContact O-CB 3.07Å; G15-A18 PolarHBondContact O-N 2.88Å; G15-A18 VanDerWaalsContact O-N 3.17Å; A18-L21 PolarHBondContact O-N 2.79Å; A18-L22 VanDerWaalsContact O-CB 3.3Å; A18-L22 WeakPolarHBondContact O-CB 2.81Å; A18-L22 WeakPolarHBondContact O-CG 3.29Å; A18-L22 PolarHBondContact O-N 2.92Å; A18-L32 HydrophobicContact CB-CD1 3.9Å; A18-L32 HydrophobicContact CB-CD2 4.31Å
19	E	93.5	Very high	83.5	Confident	73 Å²	73	55.8 Å²	55.8	34%	0.341	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-49.9	174.4	-69.2	176.9	-166.2	0	0	111.3	G15 L16 L21 L22 T23 V53 H55	G15-E19 WeakPolarHBondContact O-CG 3.33Å; G15-E19 PolarHBondContact O-N 3.1Å; L16-E19 PolarHBondContact O-N 2.8Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 2.79Å; E19-L22 PolarHBondContact O-N 3.11Å; E19-T23 VanDerWaalsContact O-CB 3.23Å; E19-T23 WeakPolarHBondContact O-CB 3.46Å; E19-T23 PolarHBondContact O-N 2.67Å; E19-T23 PolarHBondContact O-OG1 3.02Å; E19-V53 HydrophobicContact CB-CB 4.46Å; E19-V53 HydrophobicContact CB-CG2 4.5Å; E19-V53 HydrophobicContact CG-CB 3.98Å; E19-V53 HydrophobicContact CG-CG1 3.93Å; E19-H55 VanDerWaalsContact CG-NE2 3.32Å; E19-H55 WeakPolarHBondContact CG-NE2 3.36Å; E19-H55 IonicContact OE1-CD2 3.33Å; E19-H55 IonicContact OE1-NE2 3.1Å; E19-H55 PolarHBondContact OE1-NE2 3.17Å; E19-H55 VanDerWaalsContact OE1-NE2 3.08Å
20	K	88.7	Confident	83.8	Confident	160 Å²	160	54.5 Å²	54.5	70%	0.696	29%	0.285	S	S	*	.	H	α-helix	trans	-59.3	-43.8	178.2	-173.4	178.9	179.2	-177.1	0	111.4	L16 E17 T23 L24	L16-K20 WeakPolarHBondContact O-CB 3.41Å; L16-K20 PolarHBondContact O-N 3.42Å; E17-K20 PolarHBondContact O-N 3.33Å; K20-T23 PolarHBondContact O-N 3.47Å; K20-L24 WeakPolarHBondContact O-CB 3.1Å; K20-L24 PolarHBondContact O-N 3.25Å
21	L	84.9	Confident	84.2	Confident	36 Å²	36	54 Å²	54	19%	0.188	28%	0.282	C	S	.	.	H	α-helix	trans	-67.8	-45.6	-178.3	-168.1	69.9	0	0	0	111.7	L13 E17 A18 E19 T23 L24 K25 L32 L104	L13-L21 HydrophobicContact CD1-CD2 3.88Å; E17-L21 VanDerWaalsContact O-CB 3.23Å; E17-L21 WeakPolarHBondContact O-CB 3.22Å; E17-L21 PolarHBondContact O-N 2.76Å; A18-L21 PolarHBondContact O-N 2.79Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 2.79Å; L21-T23 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 2.86Å; L21-L24 PolarHBondContact O-N 3.22Å; L21-K25 HydrophobicContact CD1-CD 3.88Å; L21-K25 HydrophobicContact CD1-CG 4.45Å; L21-K25 WeakPolarHBondContact O-CB 3.42Å; L21-K25 PolarHBondContact O-N 3.35Å; L21-L32 HydrophobicContact CD2-CD2 4.05Å; L21-L104 HydrophobicContact CB-CD2 4.39Å; L21-L104 HydrophobicContact CD2-CD2 3.75Å; L21-L104 HydrophobicContact CG-CD2 3.59Å
22	L	88.4	Confident	85.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-39.1	175.5	-78.4	167.9	0	0	0	112	A18 E19 G26 L32 R48 V53 L104	A18-L22 VanDerWaalsContact O-CB 3.3Å; A18-L22 WeakPolarHBondContact O-CB 2.81Å; A18-L22 WeakPolarHBondContact O-CG 3.29Å; A18-L22 PolarHBondContact O-N 2.92Å; E19-L22 PolarHBondContact O-N 3.11Å; L22-G26 CarbonylContact O-C 3.56Å; L22-G26 WeakPolarHBondContact O-CA 3.08Å; L22-G26 PolarHBondContact O-N 3.37Å; L22-L32 HydrophobicContact CD1-CD2 4.34Å; L22-L32 HydrophobicContact CD1-CG 4.31Å; L22-L32 HydrophobicContact CD2-CD2 4.33Å; L22-L32 HydrophobicContact CG-CD2 3.97Å; L22-L32 HydrophobicContact CG-CG 4.37Å; L22-R48 HydrophobicContact CB-CB 4.26Å; L22-R48 HydrophobicContact CD2-CB 4.43Å; L22-R48 VanDerWaalsContact O-CD 3.22Å; L22-R48 WeakPolarHBondContact O-CD 3.31Å; L22-R48 PolarHBondContact O-NH1 3.46Å; L22-V53 HydrophobicContact CB-CG2 4.06Å; L22-V53 HydrophobicContact CD1-CG1 3.72Å; L22-V53 HydrophobicContact CD1-CG2 4.38Å; L22-L104 HydrophobicContact CD2-CB 4.39Å; L22-L104 HydrophobicContact CD2-CD2 4.21Å
23	T	84.8	Confident	86	Confident	64 Å²	64	45.2 Å²	45.2	39%	0.393	24%	0.237	S	C	.	.	H	α-helix	trans	-69.5	-36.1	178.1	-56	0	0	0	0	111.9	E19 K20 L21 R48	E19-T23 VanDerWaalsContact O-CB 3.23Å; E19-T23 WeakPolarHBondContact O-CB 3.46Å; E19-T23 PolarHBondContact O-N 2.67Å; E19-T23 PolarHBondContact O-OG1 3.02Å; K20-T23 PolarHBondContact O-N 3.47Å; L21-T23 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 2.86Å; T23-R48 VanDerWaalsContact CA-NH1 3.31Å; T23-R48 PolarHBondContact O-NH1 3.05Å
24	L	79.6	Confident	86.4	Confident	132 Å²	132	44.6 Å²	44.6	69%	0.691	23%	0.233	S	C	*	.	H	α-helix	trans	-80.2	-45.3	-178.5	-177	65.4	0	0	0	112.9	K20 L21	K20-L24 WeakPolarHBondContact O-CB 3.1Å; K20-L24 PolarHBondContact O-N 3.25Å; L21-L24 PolarHBondContact O-N 3.22Å
25	K	76.5	Confident	86.4	Confident	97 Å²	97	44.3 Å²	44.3	42%	0.422	23%	0.232	S	C	.	.	H	α-helix	trans	-111	-21.2	-170.5	-63.2	-172.9	179.5	174.6	0	114.2	L21 L104 E107	L21-K25 HydrophobicContact CD1-CD 3.88Å; L21-K25 HydrophobicContact CD1-CG 4.45Å; L21-K25 WeakPolarHBondContact O-CB 3.42Å; L21-K25 PolarHBondContact O-N 3.35Å; K25-L104 HydrophobicContact CB-CD1 3.92Å; K25-L104 HydrophobicContact CB-CD2 4.42Å; K25-E107 IonicContact NZ-OE1 3.71Å; K25-E107 PolarHBondContact NZ-OE1 2.98Å; K25-E107 IonicContact NZ-OE2 3.47Å; K25-E107 PolarHBondContact NZ-OE2 3.18Å
26	G	76.6	Confident	86.2	Confident	5 Å²	5	43.8 Å²	43.8	5%	0.052	23%	0.225	C	C	.	.			trans	-86.8	173.4	-177.8	0	0	0	0	0	113.4	L22 S30 R48	L22-G26 CarbonylContact O-C 3.56Å; L22-G26 WeakPolarHBondContact O-CA 3.08Å; L22-G26 PolarHBondContact O-N 3.37Å; G26-S30 VanDerWaalsContact CA-OG 3.29Å; G26-S30 WeakPolarHBondContact CA-OG 3.22Å; G26-R48 PolarHBondContact O-NH1 2.87Å
27	V	76.3	Confident	85.9	Confident	17 Å²	17	43 Å²	43	10%	0.103	22%	0.218	C	C	.	.			trans	-124.7	175.2	168.9	-53	0	0	0	0	108.8	G29 S30 Y102 I635 N639	V27-G29 PolarHBondContact O-N 3.39Å; V27-S30 PolarHBondContact N-OG 3.39Å; V27-S30 WeakPolarHBondContact O-CB 3.49Å; V27-S30 PolarHBondContact O-N 3.12Å; V27-S30 PolarHBondContact O-OG 3.25Å; V27-Y102 HydrophobicContact CG2-CD2 3.18Å; V27-Y102 HydrophobicContact CG2-CE2 3.42Å; V27-Y102 VanDerWaalsContact CG2-CE2 3.42Å; V27-Y102 HydrophobicContact CG2-CG 3.97Å; V27-I635 HydrophobicContact CG1-CG2 3.77Å; V27-N639 WeakPolarHBondContact CB-OD1 3.26Å; V27-N639 WeakPolarHBondContact CG1-ND2 3.25Å; V27-N639 VanDerWaalsContact CG1-OD1 3.28Å; V27-N639 WeakPolarHBondContact CG1-OD1 3.21Å
28	S	84.1	Confident	85.6	Confident	44 Å²	44	43 Å²	43	31%	0.308	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	129.2	172.7	-168.1	0	0	0	0	110.1	G50	S28-G50 PolarHBondContact OG-N 2.79Å
29	G	84.7	Confident	85.2	Confident	2 Å²	2	44.8 Å²	44.8	2%	0.021	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-2.4	-170.5	0	0	0	0	0	114.5	V27 R48 E99 K101 Y102	V27-G29 PolarHBondContact O-N 3.39Å; G29-R48 PolarHBondContact N-O 3.18Å; G29-E99 VanDerWaalsContact CA-O 3.32Å; G29-E99 WeakPolarHBondContact CA-O 3.5Å; G29-K101 PolarHBondContact O-N 2.84Å; G29-Y102 PolarHBondContact O-N 3.12Å
30	S	88.5	Confident	84.6	Confident	4 Å²	4	47 Å²	47	3%	0.028	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.8	169	-74.1	0	0	0	0	111.3	G26 V27 V47 R48 Y102	G26-S30 VanDerWaalsContact CA-OG 3.29Å; G26-S30 WeakPolarHBondContact CA-OG 3.22Å; V27-S30 PolarHBondContact N-OG 3.39Å; V27-S30 WeakPolarHBondContact O-CB 3.49Å; V27-S30 PolarHBondContact O-N 3.12Å; V27-S30 PolarHBondContact O-OG 3.25Å; S30-V47 CarbonylContact O-C 3.46Å; S30-V47 WeakPolarHBondContact O-CA 3.49Å; S30-R48 PolarHBondContact O-N 2.81Å; S30-Y102 WeakPolarHBondContact CA-O 3.11Å; S30-Y102 WeakPolarHBondContact OG-CB 3.37Å
31	F	92	Very high	84.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.7	-178.8	70.6	-88.9	0	0	0	112.8	W8 L45 S46 V47 V80 M84 L100 Y102 P103 L104	W8-F31 HydrophobicContact CB-CE2 4.04Å; W8-F31 HydrophobicContact CD2-CE2 4.38Å; W8-F31 HydrophobicContact CG-CE2 4Å; F31-L45 HydrophobicContact CB-CD1 4.3Å; F31-L45 HydrophobicContact CD2-CD1 3.73Å; F31-L45 HydrophobicContact CG-CD1 4.39Å; F31-S46 CarbonylContact C-O 3.55Å; F31-S46 WeakPolarHBondContact CA-O 3.42Å; F31-S46 WeakPolarHBondContact CB-O 3.1Å; F31-V47 HydrophobicContact CB-CB 4.41Å; F31-V47 HydrophobicContact CB-CG1 4.29Å; F31-V47 HydrophobicContact CB-CG2 4.03Å; F31-V80 HydrophobicContact CD2-CG1 4.45Å; F31-V80 HydrophobicContact CE2-CG1 3.56Å; F31-V80 HydrophobicContact CZ-CG1 4.02Å; F31-M84 HydrophobicContact CE1-CE 4.05Å; F31-M84 HydrophobicContact CE1-CG 4.08Å; F31-M84 HydrophobicContact CE1-SD 4.08Å; F31-M84 HydrophobicContact CE2-SD 4.39Å; F31-M84 HydrophobicContact CZ-CE 3.85Å; F31-M84 HydrophobicContact CZ-CG 3.89Å; F31-M84 HydrophobicContact CZ-SD 3.45Å; F31-M84 WeakPolarHBondContact CZ-SD 3.47Å; F31-L100 HydrophobicContact CB-CD2 3.86Å; F31-L100 HydrophobicContact CD1-CB 3.77Å; F31-L100 HydrophobicContact CD1-CD2 4.07Å; F31-L100 HydrophobicContact CD1-CG 4.47Å; F31-L100 HydrophobicContact CE1-CB 3.86Å; F31-L100 HydrophobicContact CG-CB 4.39Å; F31-L100 HydrophobicContact CG-CD2 3.92Å; F31-Y102 PolarHBondContact N-O 2.93Å; F31-Y102 VanDerWaalsContact N-O 3.08Å; F31-P103 HydrophobicContact CE1-CB 4Å; F31-P103 HydrophobicContact CE1-CG 4.4Å; F31-P103 HydrophobicContact CE2-CB 4.04Å; F31-P103 HydrophobicContact CZ-CB 3.56Å; F31-P103 HydrophobicContact CZ-CG 4.19Å; F31-L104 PolarHBondContact O-N 3.27Å
32	L	91.9	Very high	84.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.4	167.8	65.2	84.9	0	0	0	109.9	W8 L13 A18 L21 L22 R34 S46 L104	W8-L32 CarbonylContact O-C 3.41Å; W8-L32 WeakPolarHBondContact O-CA 3.4Å; L13-L32 HydrophobicContact CD1-CD1 4.05Å; L13-L32 HydrophobicContact CD1-CD2 3.9Å; A18-L32 HydrophobicContact CB-CD1 3.9Å; A18-L32 HydrophobicContact CB-CD2 4.31Å; L21-L32 HydrophobicContact CD2-CD2 4.05Å; L22-L32 HydrophobicContact CD1-CD2 4.34Å; L22-L32 HydrophobicContact CD1-CG 4.31Å; L22-L32 HydrophobicContact CD2-CD2 4.33Å; L22-L32 HydrophobicContact CG-CD2 3.97Å; L22-L32 HydrophobicContact CG-CG 4.37Å; L32-R34 HydrophobicContact CD1-CB 4.36Å; L32-R34 HydrophobicContact CD1-CG 4.25Å; L32-S46 PolarHBondContact N-O 2.72Å; L32-S46 PolarHBondContact O-N 3.22Å; L32-L104 HydrophobicContact CB-CB 4.41Å; L32-L104 HydrophobicContact CD2-CD2 4.1Å
33	A	91.3	Very high	84.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	154.4	169.4	0	0	0	0	0	110.6	W8 F9 H10 T44 L45 L76	W8-A33 HydrophobicContact CE3-CB 3.39Å; W8-A33 HydrophobicContact CZ3-CB 3.34Å; W8-A33 PolarHBondContact O-N 3.08Å; F9-A33 CarbonylContact C-O 3.57Å; F9-A33 WeakPolarHBondContact CA-O 3.32Å; F9-A33 HydrophobicContact CD2-CB 3.92Å; H10-A33 PolarHBondContact N-O 3.38Å; A33-T44 CarbonylContact C-O 3.54Å; A33-T44 WeakPolarHBondContact CA-O 3.4Å; A33-L45 HydrophobicContact CB-CD1 4.28Å; A33-L76 HydrophobicContact CB-CD2 4.39Å
34	R	90.1	Very high	84.7	Confident	13 Å²	13	40.7 Å²	40.7	5%	0.049	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.5	-178.5	53.7	176.4	-179.8	77	-2.8	110.7	H10 L13 L32 F43 T44 S46 H55	H10-R34 WeakPolarHBondContact O-CA 3.45Å; H10-R34 WeakPolarHBondContact O-CB 3.41Å; L13-R34 HydrophobicContact CB-CB 4.44Å; L13-R34 WeakPolarHBondContact O-CD 3.46Å; L32-R34 HydrophobicContact CD1-CB 4.36Å; L32-R34 HydrophobicContact CD1-CG 4.25Å; R34-F43 CarbonylContact O-C 3.58Å; R34-F43 WeakPolarHBondContact O-CA 3.17Å; R34-T44 PolarHBondContact N-O 2.91Å; R34-T44 PolarHBondContact O-N 2.87Å; R34-S46 PolarHBondContact NE-OG 2.8Å; R34-H55 PolarHBondContact NH2-ND1 3.21Å
35	P	86.3	Confident	85.4	Confident	40 Å²	40	34.4 Å²	34.4	26%	0.26	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	144.8	165.6	-24.6	35.4	0	0	0	112.3	F9 H10 H11 H37	F9-P35 HydrophobicContact CE1-CG 4.3Å; F9-P35 HydrophobicContact CZ-CG 3.81Å; H10-P35 WeakPolarHBondContact O-CD 3.48Å; H11-P35 WeakPolarHBondContact O-CG 3.23Å; P35-H37 PolarHBondContact O-N 3.43Å
36	S	84.3	Confident	86.3	Confident	8 Å²	8	29.8 Å²	29.8	6%	0.056	19%	0.191	C	C	.	.			trans	-79.1	117.3	174.8	179.3	0	0	0	0	110.3	S38 T39 S42	S36-S38 VanDerWaalsContact C-N 3.35Å; S36-S38 PolarHBondContact OG-OG 2.91Å; S36-T39 WeakPolarHBondContact CB-O 3.31Å; S36-T39 CarbonylContact O-C 3.52Å; S36-T39 PolarHBondContact OG-N 3.17Å; S36-T39 VanDerWaalsContact OG-N 3.15Å; S36-S42 VanDerWaalsContact CB-O 3.3Å; S36-S42 WeakPolarHBondContact CB-O 3.47Å; S36-S42 PolarHBondContact N-O 2.98Å
37	H	81.5	Confident	87.1	Confident	115 Å²	115	29.5 Å²	29.5	53%	0.532	19%	0.189	S	C	.	.	S	Bend	trans	-72.6	-28.6	175.4	-81.8	67.5	0	0	0	112.7	L13 P35	L13-H37 PolarHBondContact O-CE1 2.83Å; P35-H37 PolarHBondContact O-N 3.43Å
38	S	82.1	Confident	87.9	Confident	92 Å²	92	29.5 Å²	29.5	64%	0.643	19%	0.187	S	C	*	.	S	Bend	trans	-86	-14.1	178.7	58.5	0	0	0	0	113.3	S36	S36-S38 VanDerWaalsContact C-N 3.35Å; S36-S38 PolarHBondContact OG-OG 2.91Å
39	T	83.5	Confident	88.1	Confident	38 Å²	38	29.9 Å²	29.9	23%	0.233	18%	0.182	C	C	.	.	S	Bend	trans	-144.8	86.7	-177.1	-47.7	0	0	0	0	109.1	S36 G41 S42 R57	S36-T39 WeakPolarHBondContact CB-O 3.31Å; S36-T39 CarbonylContact O-C 3.52Å; S36-T39 PolarHBondContact OG-N 3.17Å; S36-T39 VanDerWaalsContact OG-N 3.15Å; T39-G41 PolarHBondContact O-N 3.4Å; T39-S42 WeakPolarHBondContact CG2-OG 3.35Å; T39-S42 WeakPolarHBondContact O-CB 3.38Å; T39-S42 PolarHBondContact O-N 3.15Å; T39-R57 PolarHBondContact OG1-NH2 2.78Å
40	P	80.8	Confident	88	Confident	120 Å²	120	31.5 Å²	31.5	78%	0.779	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	136.6	-179.4	-27.4	35.3	0	0	0	112.2	S42	P40-S42 VanDerWaalsContact C-N 3.27Å; P40-S42 PolarHBondContact O-N 3.38Å
41	G	79.5	Confident	87.8	Confident	58 Å²	58	35.9 Å²	35.9	60%	0.598	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	-14.7	-176.6	0	0	0	0	0	115.4	T39 N60	T39-G41 PolarHBondContact O-N 3.4Å; G41-N60 PolarHBondContact O-ND2 3.35Å
42	S	86.1	Confident	87.6	Confident	16 Å²	16	42.9 Å²	42.9	11%	0.112	25%	0.254	C	S	.	.			trans	-94.4	170.8	172.1	-60.9	0	0	0	0	112	S36 T39 P40	S36-S42 VanDerWaalsContact CB-O 3.3Å; S36-S42 WeakPolarHBondContact CB-O 3.47Å; S36-S42 PolarHBondContact N-O 2.98Å; T39-S42 WeakPolarHBondContact CG2-OG 3.35Å; T39-S42 WeakPolarHBondContact O-CB 3.38Å; T39-S42 PolarHBondContact O-N 3.15Å; P40-S42 VanDerWaalsContact C-N 3.27Å; P40-S42 PolarHBondContact O-N 3.38Å
43	F	90.9	Very high	87.6	Confident	47 Å²	47	44.1 Å²	44.1	21%	0.206	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	166.3	-179.2	-53.1	-76.5	0	0	0	112	F9 R34 I58 L65 L76	F9-F43 AromaticContact CE2-CD1 3.5Å; F9-F43 HydrophobicContact CE2-CD1 3.5Å; F9-F43 VanDerWaalsContact CE2-CD1 3.5Å; F9-F43 AromaticContact CE2-CE1 3.8Å; F9-F43 HydrophobicContact CE2-CE1 3.8Å; F9-F43 HydrophobicContact CE2-CG 4.44Å; F9-F43 AromaticContact CZ-CD1 3.75Å; F9-F43 HydrophobicContact CZ-CD1 3.75Å; F9-F43 AromaticContact CZ-CE1 3.68Å; F9-F43 HydrophobicContact CZ-CE1 3.68Å; R34-F43 CarbonylContact O-C 3.58Å; R34-F43 WeakPolarHBondContact O-CA 3.17Å; F43-I58 HydrophobicContact CB-CB 4.06Å; F43-I58 HydrophobicContact CB-CD1 4.23Å; F43-I58 PolarHBondContact N-O 3.01Å; F43-I58 PolarHBondContact O-N 3.31Å; F43-L65 HydrophobicContact CD2-CD2 3.57Å; F43-L65 HydrophobicContact CE2-CD2 3.73Å; F43-L76 HydrophobicContact CB-CD1 4.25Å; F43-L76 HydrophobicContact CB-CD2 4.35Å; F43-L76 HydrophobicContact CD1-CD2 4.06Å; F43-L76 HydrophobicContact CD2-CD1 4.31Å; F43-L76 HydrophobicContact CD2-CD2 4.3Å; F43-L76 HydrophobicContact CE1-CD2 4.43Å; F43-L76 HydrophobicContact CG-CD1 4.35Å; F43-L76 HydrophobicContact CG-CD2 3.96Å
44	T	93.1	Very high	87.7	Confident	6 Å²	6	45.3 Å²	45.3	4%	0.037	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	128.5	174.3	-55.6	0	0	0	0	109.4	A33 R34 H55 I56	A33-T44 CarbonylContact C-O 3.54Å; A33-T44 WeakPolarHBondContact CA-O 3.4Å; R34-T44 PolarHBondContact N-O 2.91Å; R34-T44 PolarHBondContact O-N 2.87Å; T44-H55 HydrophobicContact CG2-CB 3.91Å; T44-I56 CarbonylContact C-O 3.52Å; T44-I56 WeakPolarHBondContact CA-O 3.38Å
45	L	93.8	Very high	87.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.6	170.6	-179.1	65.6	0	0	0	108.5	F31 A33 V47 I56 I58 V80 L100	F31-L45 HydrophobicContact CB-CD1 4.3Å; F31-L45 HydrophobicContact CD2-CD1 3.73Å; F31-L45 HydrophobicContact CG-CD1 4.39Å; A33-L45 HydrophobicContact CB-CD1 4.28Å; L45-V47 HydrophobicContact CD2-CG2 4.33Å; L45-V47 HydrophobicContact CG-CG2 3.94Å; L45-I56 HydrophobicContact CB-CB 4.3Å; L45-I56 HydrophobicContact CD2-CD1 4.38Å; L45-I56 PolarHBondContact N-O 3.03Å; L45-I56 PolarHBondContact O-N 3.38Å; L45-I58 HydrophobicContact CB-CD1 3.99Å; L45-I58 HydrophobicContact CB-CG1 4.43Å; L45-V80 HydrophobicContact CD1-CG2 4.4Å; L45-L100 HydrophobicContact CD2-CD1 3.8Å; L45-L100 HydrophobicContact CD2-CD2 3.98Å
46	S	95.2	Very high	88.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.5	179.1	-50.1	0	0	0	0	108.3	F31 L32 R34 T54 H55	F31-S46 CarbonylContact C-O 3.55Å; F31-S46 WeakPolarHBondContact CA-O 3.42Å; F31-S46 WeakPolarHBondContact CB-O 3.1Å; L32-S46 PolarHBondContact N-O 2.72Å; L32-S46 PolarHBondContact O-N 3.22Å; R34-S46 PolarHBondContact NE-OG 2.8Å; S46-T54 WeakPolarHBondContact CA-O 3.38Å; S46-H55 WeakPolarHBondContact CB-ND1 3.17Å; S46-H55 PolarHBondContact OG-CE1 3.27Å; S46-H55 PolarHBondContact OG-ND1 3.18Å
47	V	94.2	Very high	88.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.9	-173.1	-169.7	0	0	0	0	109.4	S30 F31 L45 R49 V53 T54 I56 I98 L100	S30-V47 CarbonylContact O-C 3.46Å; S30-V47 WeakPolarHBondContact O-CA 3.49Å; F31-V47 HydrophobicContact CB-CB 4.41Å; F31-V47 HydrophobicContact CB-CG1 4.29Å; F31-V47 HydrophobicContact CB-CG2 4.03Å; L45-V47 HydrophobicContact CD2-CG2 4.33Å; L45-V47 HydrophobicContact CG-CG2 3.94Å; V47-R49 HydrophobicContact CG1-CG 4.4Å; V47-V53 CarbonylContact O-C 3.55Å; V47-V53 WeakPolarHBondContact O-CA 3.33Å; V47-T54 PolarHBondContact N-O 3.16Å; V47-T54 PolarHBondContact O-N 2.8Å; V47-I56 HydrophobicContact CG2-CD1 4.02Å; V47-I98 HydrophobicContact CB-CG2 4.07Å; V47-I98 HydrophobicContact CG1-CG2 3.77Å; V47-I98 HydrophobicContact CG2-CG2 4.08Å; V47-L100 HydrophobicContact CB-CD2 4.4Å; V47-L100 HydrophobicContact CG1-CD2 3.97Å; V47-L100 HydrophobicContact CG2-CD2 3.48Å; V47-L100 VanDerWaalsContact CG2-CD2 3.48Å
48	R	91.9	Very high	88.9	Confident	16 Å²	16	46.9 Å²	46.9	6%	0.06	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.4	172.9	-178.1	169.8	176.2	170.3	4.8	110.2	L22 T23 G26 G29 S30 G50 D51 E52 V53 R643	L22-R48 HydrophobicContact CB-CB 4.26Å; L22-R48 HydrophobicContact CD2-CB 4.43Å; L22-R48 VanDerWaalsContact O-CD 3.22Å; L22-R48 WeakPolarHBondContact O-CD 3.31Å; L22-R48 PolarHBondContact O-NH1 3.46Å; T23-R48 VanDerWaalsContact CA-NH1 3.31Å; T23-R48 PolarHBondContact O-NH1 3.05Å; G26-R48 PolarHBondContact O-NH1 2.87Å; G29-R48 PolarHBondContact N-O 3.18Å; S30-R48 PolarHBondContact O-N 2.81Å; R48-G50 PolarHBondContact NE-O 3.23Å; R48-D51 IonicContact NH2-OD1 3.39Å; R48-E52 CarbonylContact C-O 3.45Å; R48-E52 WeakPolarHBondContact CA-O 3.41Å; R48-V53 HydrophobicContact CB-CG2 4.41Å; R48-R643 VanDerWaalsContact NH2-NH2 3.18Å
49	R	89	Confident	88.9	Confident	53 Å²	53	45.6 Å²	45.6	20%	0.2	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	99.9	179.1	-62	176.5	71.4	-143	1.2	108.2	V47 D51 E52 T54 E92 L97	V47-R49 HydrophobicContact CG1-CG 4.4Å; R49-D51 PolarHBondContact O-N 3.13Å; R49-D51 VanDerWaalsContact O-N 3.14Å; R49-E52 PolarHBondContact N-O 2.89Å; R49-E52 PolarHBondContact O-N 3.24Å; R49-T54 WeakPolarHBondContact CD-OG1 3.32Å; R49-E92 IonicContact CZ-OE2 2.8Å; R49-E92 IonicContact NH1-OE1 2.76Å; R49-E92 PolarHBondContact NH1-OE1 3.46Å; R49-E92 IonicContact NH1-OE2 3.55Å; R49-E92 PolarHBondContact NH1-OE2 3.42Å; R49-L97 PolarHBondContact NE-O 2.97Å; R49-L97 PolarHBondContact NH2-O 2.88Å; R49-L97 VanDerWaalsContact NH2-O 3.09Å
50	G	82.5	Confident	89.1	Confident	35 Å²	35	46.3 Å²	46.3	36%	0.361	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-115.2	-168.7	0	0	0	0	0	111.6	S28 R48	S28-G50 PolarHBondContact OG-N 2.79Å; R48-G50 PolarHBondContact NE-O 3.23Å
51	D	83	Confident	89.3	Confident	97 Å²	97	42.9 Å²	42.9	52%	0.519	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-4.8	179	-70.7	-36.6	0	0	0	113.9	R48 R49 R643	R48-D51 IonicContact NH2-OD1 3.39Å; R49-D51 PolarHBondContact O-N 3.13Å; R49-D51 VanDerWaalsContact O-N 3.14Å; D51-R643 IonicContact OD1-CZ 3.52Å; D51-R643 IonicContact OD1-NE 3.86Å; D51-R643 PolarHBondContact OD1-NE 3.41Å; D51-R643 IonicContact OD1-NH2 2.67Å; D51-R643 PolarHBondContact OD1-NH2 3.28Å; D51-R643 IonicContact OD2-NE 3.33Å
52	E	88.8	Confident	89.3	Confident	147 Å²	147	49 Å²	49	69%	0.687	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	159.6	178.4	-62.5	-172	165.1	0	0	111.3	R48 R49	R48-E52 CarbonylContact C-O 3.45Å; R48-E52 WeakPolarHBondContact CA-O 3.41Å; R49-E52 PolarHBondContact N-O 2.89Å; R49-E52 PolarHBondContact O-N 3.24Å
53	V	92.1	Very high	89.3	Confident	26 Å²	26	56.3 Å²	56.3	16%	0.158	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.6	173.4	174.5	0	0	0	0	108.4	E19 L22 V47 R48	E19-V53 HydrophobicContact CB-CB 4.46Å; E19-V53 HydrophobicContact CB-CG2 4.5Å; E19-V53 HydrophobicContact CG-CB 3.98Å; E19-V53 HydrophobicContact CG-CG1 3.93Å; L22-V53 HydrophobicContact CB-CG2 4.06Å; L22-V53 HydrophobicContact CD1-CG1 3.72Å; L22-V53 HydrophobicContact CD1-CG2 4.38Å; V47-V53 CarbonylContact O-C 3.55Å; V47-V53 WeakPolarHBondContact O-CA 3.33Å; R48-V53 HydrophobicContact CB-CG2 4.41Å
54	T	92.4	Very high	89.1	Confident	24 Å²	24	56 Å²	56	15%	0.147	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.3	175.9	-58.7	0	0	0	0	109.4	S46 V47 R49 I56 E92	S46-T54 WeakPolarHBondContact CA-O 3.38Å; V47-T54 PolarHBondContact N-O 3.16Å; V47-T54 PolarHBondContact O-N 2.8Å; R49-T54 WeakPolarHBondContact CD-OG1 3.32Å; T54-I56 HydrophobicContact CG2-CG1 4.19Å; T54-E92 WeakPolarHBondContact CG2-OE1 3.13Å; T54-E92 PolarHBondContact OG1-OE1 3.43Å
55	H	93.3	Very high	88.9	Confident	64 Å²	64	56.3 Å²	56.3	30%	0.296	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.8	173.4	-64.6	-60.4	0	0	0	111	E19 R34 T44 S46	E19-H55 VanDerWaalsContact CG-NE2 3.32Å; E19-H55 WeakPolarHBondContact CG-NE2 3.36Å; E19-H55 IonicContact OE1-CD2 3.33Å; E19-H55 IonicContact OE1-NE2 3.1Å; E19-H55 PolarHBondContact OE1-NE2 3.17Å; E19-H55 VanDerWaalsContact OE1-NE2 3.08Å; R34-H55 PolarHBondContact NH2-ND1 3.21Å; T44-H55 HydrophobicContact CG2-CB 3.91Å; S46-H55 WeakPolarHBondContact CB-ND1 3.17Å; S46-H55 PolarHBondContact OG-CE1 3.27Å; S46-H55 PolarHBondContact OG-ND1 3.18Å
56	I	92.4	Very high	88.7	Confident	23 Å²	23	56.8 Å²	56.8	12%	0.118	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.8	-179.1	-49.6	173	0	0	0	108.2	T44 L45 V47 T54 L67 L90 I98	T44-I56 CarbonylContact C-O 3.52Å; T44-I56 WeakPolarHBondContact CA-O 3.38Å; L45-I56 HydrophobicContact CB-CB 4.3Å; L45-I56 HydrophobicContact CD2-CD1 4.38Å; L45-I56 PolarHBondContact N-O 3.03Å; L45-I56 PolarHBondContact O-N 3.38Å; V47-I56 HydrophobicContact CG2-CD1 4.02Å; T54-I56 HydrophobicContact CG2-CG1 4.19Å; I56-L67 HydrophobicContact CG2-CD1 4.33Å; I56-L67 HydrophobicContact CG2-CD2 3.9Å; I56-L90 HydrophobicContact CD1-CD1 4.3Å; I56-L90 HydrophobicContact CD1-CD2 3.77Å; I56-L90 HydrophobicContact CD1-CG 4.27Å; I56-I98 HydrophobicContact CD1-CD1 3.73Å; I56-I98 HydrophobicContact CD1-CG2 4.17Å; I56-I98 HydrophobicContact CG1-CD1 4.36Å
57	R	91.2	Very high	88.3	Confident	122 Å²	122	58.1 Å²	58.1	46%	0.46	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	132.4	176.6	-67.4	176.1	62.8	160.7	2.4	109.4	T39 Y68	T39-R57 PolarHBondContact OG1-NH2 2.78Å; R57-Y68 HydrophobicContact CB-CE2 3.71Å
58	I	90.3	Very high	87.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.6	174	-56.9	179.7	0	0	0	107.1	F43 L45 L65 L67 L76 L79	F43-I58 HydrophobicContact CB-CB 4.06Å; F43-I58 HydrophobicContact CB-CD1 4.23Å; F43-I58 PolarHBondContact N-O 3.01Å; F43-I58 PolarHBondContact O-N 3.31Å; L45-I58 HydrophobicContact CB-CD1 3.99Å; L45-I58 HydrophobicContact CB-CG1 4.43Å; I58-L65 HydrophobicContact CG2-CB 4.2Å; I58-L65 HydrophobicContact CG2-CD2 3.9Å; I58-L67 HydrophobicContact CB-CD2 4.39Å; I58-L67 HydrophobicContact CG1-CD2 3.72Å; I58-L76 HydrophobicContact CD1-CD1 3.39Å; I58-L76 HydrophobicContact CG2-CD1 4.25Å; I58-L79 HydrophobicContact CD1-CD2 4.12Å; I58-L79 HydrophobicContact CG2-CD1 3.78Å
59	Q	83.2	Confident	86.8	Confident	66 Å²	66	66.5 Å²	66.5	31%	0.308	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137	175.1	-169	171.1	0.8	0	0	108.9	T61 L65 D66 Y68	Q59-T61 HydrophobicContact CG-CG2 4.11Å; Q59-L65 VanDerWaalsContact O-CA 3.3Å; Q59-L65 WeakPolarHBondContact O-CA 3.24Å; Q59-D66 WeakPolarHBondContact CB-OD1 3.21Å; Q59-D66 PolarHBondContact N-O 2.78Å; Q59-D66 PolarHBondContact O-N 3.47Å; Q59-Y68 HydrophobicContact CB-CD1 4.44Å; Q59-Y68 HydrophobicContact CB-CD2 4.43Å; Q59-Y68 HydrophobicContact CB-CE1 4.08Å; Q59-Y68 HydrophobicContact CB-CE2 4.05Å; Q59-Y68 HydrophobicContact CG-CE1 4.16Å; Q59-Y68 VanDerWaalsContact OE1-CD1 3.3Å
60	N	87.5	Confident	86.4	Confident	53 Å²	53	65.5 Å²	65.5	28%	0.283	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	109.8	171.5	-178.3	8.1	0	0	0	107.5	G41 E62 L65	G41-N60 PolarHBondContact O-ND2 3.35Å; N60-E62 VanDerWaalsContact C-N 3.33Å; N60-E62 PolarHBondContact OD1-N 2.91Å; N60-E62 VanDerWaalsContact OD1-N 3.12Å; N60-L65 HydrophobicContact CB-CD2 4.33Å
61	T	85	Confident	86.6	Confident	47 Å²	47	69.2 Å²	69.2	29%	0.288	36%	0.356	S	S	.	.			trans	-93.7	8.9	179.2	61.5	0	0	0	0	112.6	Q59 E63 F64	Q59-T61 HydrophobicContact CG-CG2 4.11Å; T61-E63 PolarHBondContact O-N 2.71Å; T61-F64 HydrophobicContact CG2-CE1 4.35Å; T61-F64 HydrophobicContact CG2-CE2 4.02Å; T61-F64 HydrophobicContact CG2-CZ 3.89Å; T61-F64 PolarHBondContact N-O 2.86Å; T61-F64 WeakPolarHBondContact OG1-CD1 3.37Å; T61-F64 WeakPolarHBondContact OG1-CE1 3.06Å; T61-F64 PolarHBondContact OG1-N 3.19Å; T61-F64 VanDerWaalsContact OG1-N 3.13Å; T61-F64 PolarHBondContact OG1-O 3.38Å
62	E	79.3	Confident	87	Confident	188 Å²	188	70.9 Å²	70.9	88%	0.879	36%	0.358	S	S	*	.	S	Bend	trans	67.8	-31.3	-168.5	-52.3	-177.2	176	0	0	114.3	N60	N60-E62 VanDerWaalsContact C-N 3.33Å; N60-E62 PolarHBondContact OD1-N 2.91Å; N60-E62 VanDerWaalsContact OD1-N 3.12Å
63	E	85.6	Confident	87.1	Confident	168 Å²	168	65 Å²	65	79%	0.785	33%	0.33	S	S	*	.	S	Bend	trans	-85.2	-37.1	173.1	-65.9	-174.9	171	0	0	113	T61	T61-E63 PolarHBondContact O-N 2.71Å
64	F	88.1	Confident	86.8	Confident	42 Å²	42	67 Å²	67	18%	0.184	35%	0.35	C	S	.	.			trans	-153.3	167.5	-179.6	61.6	-91	0	0	0	112	T61 D66 K72 F73	T61-F64 HydrophobicContact CG2-CE1 4.35Å; T61-F64 HydrophobicContact CG2-CE2 4.02Å; T61-F64 HydrophobicContact CG2-CZ 3.89Å; T61-F64 PolarHBondContact N-O 2.86Å; T61-F64 WeakPolarHBondContact OG1-CD1 3.37Å; T61-F64 WeakPolarHBondContact OG1-CE1 3.06Å; T61-F64 PolarHBondContact OG1-N 3.19Å; T61-F64 VanDerWaalsContact OG1-N 3.13Å; T61-F64 PolarHBondContact OG1-O 3.38Å; F64-D66 HydrophobicContact CD2-CB 4.31Å; F64-D66 HydrophobicContact CE2-CB 4.33Å; F64-K72 HydrophobicContact CB-CB 4.27Å; F64-K72 HydrophobicContact CD1-CD 4.19Å; F64-K72 HydrophobicContact CD2-CB 3.84Å; F64-K72 HydrophobicContact CD2-CD 3.72Å; F64-K72 HydrophobicContact CD2-CG 3.61Å; F64-K72 HydrophobicContact CE1-CD 4.12Å; F64-K72 HydrophobicContact CE2-CB 4.49Å; F64-K72 HydrophobicContact CE2-CD 3.62Å; F64-K72 HydrophobicContact CE2-CG 3.76Å; F64-K72 HydrophobicContact CG-CB 4.13Å; F64-K72 HydrophobicContact CG-CD 4.02Å; F64-K72 HydrophobicContact CG-CG 4.23Å; F64-K72 HydrophobicContact CZ-CD 3.84Å; F64-K72 HydrophobicContact CZ-CG 4.48Å; F64-F73 CarbonylContact C-O 3.51Å; F64-F73 WeakPolarHBondContact CA-O 3.4Å
65	L	88.4	Confident	86.4	Confident	11 Å²	11	68.7 Å²	68.7	6%	0.058	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.2	170.6	-60	112.9	0	0	0	110.4	F43 I58 Q59 N60 F73 T75 L76 L79	F43-L65 HydrophobicContact CD2-CD2 3.57Å; F43-L65 HydrophobicContact CE2-CD2 3.73Å; I58-L65 HydrophobicContact CG2-CB 4.2Å; I58-L65 HydrophobicContact CG2-CD2 3.9Å; Q59-L65 VanDerWaalsContact O-CA 3.3Å; Q59-L65 WeakPolarHBondContact O-CA 3.24Å; N60-L65 HydrophobicContact CB-CD2 4.33Å; L65-F73 PolarHBondContact N-O 3.13Å; L65-F73 PolarHBondContact O-N 3.42Å; L65-T75 VanDerWaalsContact CD1-C 3.49Å; L65-L76 HydrophobicContact CD2-CB 4.41Å; L65-L76 HydrophobicContact CD2-CD1 4.31Å; L65-L79 HydrophobicContact CB-CD1 3.99Å
66	D	90	Very high	86	Confident	11 Å²	11	66.7 Å²	66.7	6%	0.059	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	178	173.8	82.9	-6.1	0	0	0	112.1	Q59 F64 Y68 G69 E71 K72	Q59-D66 WeakPolarHBondContact CB-OD1 3.21Å; Q59-D66 PolarHBondContact N-O 2.78Å; Q59-D66 PolarHBondContact O-N 3.47Å; F64-D66 HydrophobicContact CD2-CB 4.31Å; F64-D66 HydrophobicContact CE2-CB 4.33Å; D66-Y68 PolarHBondContact OD1-N 3.35Å; D66-G69 PolarHBondContact OD2-N 3.44Å; D66-E71 WeakPolarHBondContact CB-O 3.47Å; D66-K72 HydrophobicContact CB-CG 4.4Å
67	L	86.8	Confident	85.4	Confident	27 Å²	27	66.9 Å²	66.9	14%	0.141	36%	0.355	C	S	.	.	S	Bend	trans	-107	47.1	173.5	-59.2	-174.7	0	0	0	111.6	I56 I58 L79 Y83 L90	I56-L67 HydrophobicContact CG2-CD1 4.33Å; I56-L67 HydrophobicContact CG2-CD2 3.9Å; I58-L67 HydrophobicContact CB-CD2 4.39Å; I58-L67 HydrophobicContact CG1-CD2 3.72Å; L67-L79 HydrophobicContact CD2-CD1 4.35Å; L67-L79 HydrophobicContact CD2-CD2 4.36Å; L67-Y83 HydrophobicContact CD1-CD2 4.05Å; L67-Y83 HydrophobicContact CD1-CE1 4.32Å; L67-Y83 HydrophobicContact CD1-CE2 3.42Å; L67-Y83 VanDerWaalsContact CD1-CE2 3.42Å; L67-Y83 HydrophobicContact CG-CE2 3.99Å; L67-L90 HydrophobicContact CD1-CD1 3.28Å
68	Y	79.1	Confident	85.1	Confident	117 Å²	117	64.6 Å²	64.6	46%	0.459	35%	0.35	S	S	.	.	S	Bend	trans	56.8	64.8	178.4	-64	-88.2	0	0	0	113.6	R57 Q59 D66	R57-Y68 HydrophobicContact CB-CE2 3.71Å; Q59-Y68 HydrophobicContact CB-CD1 4.44Å; Q59-Y68 HydrophobicContact CB-CD2 4.43Å; Q59-Y68 HydrophobicContact CB-CE1 4.08Å; Q59-Y68 HydrophobicContact CB-CE2 4.05Å; Q59-Y68 HydrophobicContact CG-CE1 4.16Å; Q59-Y68 VanDerWaalsContact OE1-CD1 3.3Å; D66-Y68 PolarHBondContact OD1-N 3.35Å
69	G	74.9	Confident	85.1	Confident	76 Å²	76	64.6 Å²	64.6	78%	0.784	35%	0.35	S	S	*	.	S	Bend	trans	104	10.8	179	0	0	0	0	0	115.2	D66	D66-G69 PolarHBondContact OD2-N 3.44Å
70	G	80.1	Confident	85.3	Confident	32 Å²	32	61.5 Å²	61.5	33%	0.33	34%	0.335	S	S	.	.	S	Bend	trans	-91.5	-166.7	170.1	0	0	0	0	0	113.1
71	E	87.7	Confident	85	Confident	113 Å²	113	59.5 Å²	59.5	53%	0.528	33%	0.325	S	S	.	.			trans	-57.1	146.8	169.8	-70.5	-63.9	134.2	0	0	111.4	D66 F73 Y82	D66-E71 WeakPolarHBondContact CB-O 3.47Å; E71-F73 HydrophobicContact CB-CE1 4.3Å; E71-F73 HydrophobicContact CB-CE2 3.65Å; E71-F73 HydrophobicContact CB-CZ 3.44Å; E71-F73 VanDerWaalsContact CB-CZ 3.44Å; E71-F73 HydrophobicContact CG-CZ 4.49Å; E71-F73 WeakPolarHBondContact O-CD2 3.23Å; E71-F73 WeakPolarHBondContact O-CE2 3.22Å; E71-Y82 HydrophobicContact CG-CE1 4.24Å
72	K	91.3	Very high	85.1	Confident	132 Å²	132	60 Å²	60	57%	0.574	32%	0.322	S	S	*	.			trans	-103.7	134.6	-178	-62	-179.9	179.4	-177.4	0	110.3	F64 D66	F64-K72 HydrophobicContact CB-CB 4.27Å; F64-K72 HydrophobicContact CD1-CD 4.19Å; F64-K72 HydrophobicContact CD2-CB 3.84Å; F64-K72 HydrophobicContact CD2-CD 3.72Å; F64-K72 HydrophobicContact CD2-CG 3.61Å; F64-K72 HydrophobicContact CE1-CD 4.12Å; F64-K72 HydrophobicContact CE2-CB 4.49Å; F64-K72 HydrophobicContact CE2-CD 3.62Å; F64-K72 HydrophobicContact CE2-CG 3.76Å; F64-K72 HydrophobicContact CG-CB 4.13Å; F64-K72 HydrophobicContact CG-CD 4.02Å; F64-K72 HydrophobicContact CG-CG 4.23Å; F64-K72 HydrophobicContact CZ-CD 3.84Å; F64-K72 HydrophobicContact CZ-CG 4.48Å; D66-K72 HydrophobicContact CB-CG 4.4Å
73	F	89.8	Confident	85.5	Confident	22 Å²	22	52 Å²	52	10%	0.096	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-126.8	145.9	-175.2	-56.1	-81.9	0	0	0	111	F64 L65 E71 E78 L79 Y82 Y83	F64-F73 CarbonylContact C-O 3.51Å; F64-F73 WeakPolarHBondContact CA-O 3.4Å; L65-F73 PolarHBondContact N-O 3.13Å; L65-F73 PolarHBondContact O-N 3.42Å; E71-F73 HydrophobicContact CB-CE1 4.3Å; E71-F73 HydrophobicContact CB-CE2 3.65Å; E71-F73 HydrophobicContact CB-CZ 3.44Å; E71-F73 VanDerWaalsContact CB-CZ 3.44Å; E71-F73 HydrophobicContact CG-CZ 4.49Å; E71-F73 WeakPolarHBondContact O-CD2 3.23Å; E71-F73 WeakPolarHBondContact O-CE2 3.22Å; F73-E78 HydrophobicContact CB-CB 4.17Å; F73-E78 HydrophobicContact CD1-CB 4.08Å; F73-L79 HydrophobicContact CB-CB 3.92Å; F73-L79 HydrophobicContact CD1-CB 4.49Å; F73-L79 HydrophobicContact CD2-CB 3.55Å; F73-L79 HydrophobicContact CD2-CD1 3.83Å; F73-L79 HydrophobicContact CD2-CG 3.59Å; F73-L79 HydrophobicContact CE2-CB 4.18Å; F73-L79 HydrophobicContact CE2-CD1 4.41Å; F73-L79 HydrophobicContact CE2-CG 3.92Å; F73-L79 HydrophobicContact CG-CB 3.71Å; F73-L79 HydrophobicContact CG-CG 4.29Å; F73-Y82 VanDerWaalsContact CE1-CB 3.43Å; F73-Y82 HydrophobicContact CE1-CD1 4.11Å; F73-Y82 AromaticContact CE1-CD2 3.89Å; F73-Y82 HydrophobicContact CE1-CD2 3.89Å; F73-Y82 AromaticContact CE1-CG 3.54Å; F73-Y82 HydrophobicContact CE1-CG 3.54Å; F73-Y82 AromaticContact CZ-CD1 3.5Å; F73-Y82 HydrophobicContact CZ-CD1 3.5Å; F73-Y82 HydrophobicContact CZ-CD2 4.06Å; F73-Y82 HydrophobicContact CZ-CE1 4.16Å; F73-Y82 AromaticContact CZ-CG 3.44Å; F73-Y82 HydrophobicContact CZ-CG 3.44Å; F73-Y82 VanDerWaalsContact CZ-CG 3.44Å; F73-Y83 AromaticContact CE2-CE2 3.97Å; F73-Y83 HydrophobicContact CE2-CE2 3.97Å; F73-Y83 HydrophobicContact CZ-CE2 4.35Å
74	A	86.3	Confident	85.4	Confident	70 Å²	70	45.4 Å²	45.4	58%	0.579	25%	0.254	S	S	*	.	S	Bend	trans	-78	-31.1	178.2	0	0	0	0	0	111.4	E78	A74-E78 WeakPolarHBondContact CB-OE2 3.36Å; A74-E78 PolarHBondContact N-OE2 2.8Å
75	T	84	Confident	85.1	Confident	58 Å²	58	47.5 Å²	47.5	36%	0.356	26%	0.264	S	S	.	.	S	Bend	trans	-129.2	152.7	-179.8	72	0	0	0	0	112.7	L65 S77 E78 L79	L65-T75 VanDerWaalsContact CD1-C 3.49Å; T75-S77 PolarHBondContact O-N 3.14Å; T75-E78 PolarHBondContact N-OE2 2.75Å; T75-E78 VanDerWaalsContact N-OE2 3.17Å; T75-E78 PolarHBondContact O-N 3.05Å; T75-E78 VanDerWaalsContact OG1-CG 3.32Å; T75-E78 WeakPolarHBondContact OG1-CG 3.12Å; T75-E78 PolarHBondContact OG1-N 2.74Å; T75-L79 PolarHBondContact O-N 2.92Å; T75-L79 VanDerWaalsContact O-N 3.17Å
76	L	84.1	Confident	84.8	Confident	22 Å²	22	50.1 Å²	50.1	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-30.7	175.9	-175.1	64	0	0	0	111.4	W8 F9 A33 F43 I58 L65 L79 V80	W8-L76 HydrophobicContact CH2-CD2 4.23Å; W8-L76 HydrophobicContact CH2-CG 3.84Å; W8-L76 HydrophobicContact CZ3-CD2 3.97Å; W8-L76 HydrophobicContact CZ3-CG 3.96Å; F9-L76 HydrophobicContact CD2-CD2 3.47Å; F9-L76 VanDerWaalsContact CD2-CD2 3.47Å; F9-L76 HydrophobicContact CE2-CD2 3.5Å; F9-L76 VanDerWaalsContact CE2-CD2 3.5Å; A33-L76 HydrophobicContact CB-CD2 4.39Å; F43-L76 HydrophobicContact CB-CD1 4.25Å; F43-L76 HydrophobicContact CB-CD2 4.35Å; F43-L76 HydrophobicContact CD1-CD2 4.06Å; F43-L76 HydrophobicContact CD2-CD1 4.31Å; F43-L76 HydrophobicContact CD2-CD2 4.3Å; F43-L76 HydrophobicContact CE1-CD2 4.43Å; F43-L76 HydrophobicContact CG-CD1 4.35Å; F43-L76 HydrophobicContact CG-CD2 3.96Å; I58-L76 HydrophobicContact CD1-CD1 3.39Å; I58-L76 HydrophobicContact CG2-CD1 4.25Å; L65-L76 HydrophobicContact CD2-CB 4.41Å; L65-L76 HydrophobicContact CD2-CD1 4.31Å; L76-L79 PolarHBondContact O-N 2.79Å; L76-V80 WeakPolarHBondContact O-CG2 3.37Å; L76-V80 PolarHBondContact O-N 3.06Å
77	S	81.3	Confident	84.1	Confident	27 Å²	27	55.7 Å²	55.7	19%	0.189	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-44.3	177.5	-166.8	0	0	0	0	112.4	T75 T81	T75-S77 PolarHBondContact O-N 3.14Å; S77-T81 WeakPolarHBondContact O-CB 3.3Å; S77-T81 PolarHBondContact O-N 3.47Å; S77-T81 PolarHBondContact O-OG1 2.83Å
78	E	83.7	Confident	83.8	Confident	75 Å²	75	55.3 Å²	55.3	35%	0.35	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-44.3	175.3	-73.7	164.7	-179.4	0	0	111.5	F73 A74 T75 T81 Y82	F73-E78 HydrophobicContact CB-CB 4.17Å; F73-E78 HydrophobicContact CD1-CB 4.08Å; A74-E78 WeakPolarHBondContact CB-OE2 3.36Å; A74-E78 PolarHBondContact N-OE2 2.8Å; T75-E78 PolarHBondContact N-OE2 2.75Å; T75-E78 VanDerWaalsContact N-OE2 3.17Å; T75-E78 PolarHBondContact O-N 3.05Å; T75-E78 VanDerWaalsContact OG1-CG 3.32Å; T75-E78 WeakPolarHBondContact OG1-CG 3.12Å; T75-E78 PolarHBondContact OG1-N 2.74Å; E78-T81 PolarHBondContact O-N 2.87Å; E78-Y82 WeakPolarHBondContact O-CB 3.37Å; E78-Y82 PolarHBondContact O-N 2.75Å
79	L	90.4	Very high	84.2	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.3	-53.7	177.2	-175.5	156.1	0	0	0	111.2	I58 L65 L67 F73 T75 L76 T81 Y82 Y83	I58-L79 HydrophobicContact CD1-CD2 4.12Å; I58-L79 HydrophobicContact CG2-CD1 3.78Å; L65-L79 HydrophobicContact CB-CD1 3.99Å; L67-L79 HydrophobicContact CD2-CD1 4.35Å; L67-L79 HydrophobicContact CD2-CD2 4.36Å; F73-L79 HydrophobicContact CB-CB 3.92Å; F73-L79 HydrophobicContact CD1-CB 4.49Å; F73-L79 HydrophobicContact CD2-CB 3.55Å; F73-L79 HydrophobicContact CD2-CD1 3.83Å; F73-L79 HydrophobicContact CD2-CG 3.59Å; F73-L79 HydrophobicContact CE2-CB 4.18Å; F73-L79 HydrophobicContact CE2-CD1 4.41Å; F73-L79 HydrophobicContact CE2-CG 3.92Å; F73-L79 HydrophobicContact CG-CB 3.71Å; F73-L79 HydrophobicContact CG-CG 4.29Å; T75-L79 PolarHBondContact O-N 2.92Å; T75-L79 VanDerWaalsContact O-N 3.17Å; L76-L79 PolarHBondContact O-N 2.79Å; L79-T81 PolarHBondContact O-N 2.7Å; L79-Y82 PolarHBondContact O-N 2.86Å; L79-Y83 HydrophobicContact CD2-CD2 3.97Å; L79-Y83 HydrophobicContact CD2-CE2 4.15Å; L79-Y83 HydrophobicContact CG-CD2 4.29Å; L79-Y83 HydrophobicContact CG-CE2 4.13Å; L79-Y83 VanDerWaalsContact O-CD2 3.23Å; L79-Y83 WeakPolarHBondContact O-CD2 3.3Å; L79-Y83 PolarHBondContact O-N 3.4Å
80	V	87	Confident	84.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-44.1	-178.3	171.2	0	0	0	0	111	W8 F31 L45 L76 Y82 Y83 M84	W8-V80 HydrophobicContact CD2-CG1 4.09Å; W8-V80 HydrophobicContact CE3-CG1 4.39Å; W8-V80 HydrophobicContact CE3-CG2 4.16Å; W8-V80 HydrophobicContact CH2-CB 3.71Å; W8-V80 HydrophobicContact CH2-CG1 4.21Å; W8-V80 HydrophobicContact CH2-CG2 3.45Å; W8-V80 VanDerWaalsContact CH2-CG2 3.45Å; W8-V80 HydrophobicContact CZ2-CB 3.66Å; W8-V80 HydrophobicContact CZ2-CG1 3.86Å; W8-V80 HydrophobicContact CZ2-CG2 3.95Å; W8-V80 HydrophobicContact CZ3-CB 4.21Å; W8-V80 HydrophobicContact CZ3-CG1 4.46Å; W8-V80 HydrophobicContact CZ3-CG2 3.56Å; F31-V80 HydrophobicContact CD2-CG1 4.45Å; F31-V80 HydrophobicContact CE2-CG1 3.56Å; F31-V80 HydrophobicContact CZ-CG1 4.02Å; L45-V80 HydrophobicContact CD1-CG2 4.4Å; L76-V80 WeakPolarHBondContact O-CG2 3.37Å; L76-V80 PolarHBondContact O-N 3.06Å; V80-Y82 VanDerWaalsContact C-N 3.31Å; V80-Y82 PolarHBondContact O-N 3.5Å; V80-Y83 PolarHBondContact O-N 3.37Å; V80-M84 HydrophobicContact CG1-CG 4.32Å; V80-M84 HydrophobicContact CG1-SD 3.96Å; V80-M84 VanDerWaalsContact O-CG 3.27Å; V80-M84 WeakPolarHBondContact O-CG 3.5Å; V80-M84 PolarHBondContact O-N 3.24Å
81	T	81.4	Confident	85.1	Confident	11 Å²	11	57.7 Å²	57.7	7%	0.067	29%	0.286	C	S	.	.	H	α-helix	trans	-57.4	-45.1	176.9	-61.2	0	0	0	0	111.5	R2 S77 E78 L79 Y83 M84 E85	R2-T81 WeakPolarHBondContact O-CG2 3.38Å; R2-T81 PolarHBondContact O-OG1 3.43Å; S77-T81 WeakPolarHBondContact O-CB 3.3Å; S77-T81 PolarHBondContact O-N 3.47Å; S77-T81 PolarHBondContact O-OG1 2.83Å; E78-T81 PolarHBondContact O-N 2.87Å; L79-T81 PolarHBondContact O-N 2.7Å; T81-Y83 PolarHBondContact O-N 2.86Å; T81-M84 PolarHBondContact O-N 3.2Å; T81-E85 HydrophobicContact CG2-CG 4.3Å; T81-E85 WeakPolarHBondContact O-CG 3.5Å; T81-E85 PolarHBondContact O-N 3.45Å
82	Y	86.9	Confident	84.8	Confident	59 Å²	59	55.3 Å²	55.3	23%	0.231	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-47.8	180	175.2	-89.5	0	0	0	111.8	E71 F73 E78 L79 V80 M84 E85 N86	E71-Y82 HydrophobicContact CG-CE1 4.24Å; F73-Y82 VanDerWaalsContact CE1-CB 3.43Å; F73-Y82 HydrophobicContact CE1-CD1 4.11Å; F73-Y82 AromaticContact CE1-CD2 3.89Å; F73-Y82 HydrophobicContact CE1-CD2 3.89Å; F73-Y82 AromaticContact CE1-CG 3.54Å; F73-Y82 HydrophobicContact CE1-CG 3.54Å; F73-Y82 AromaticContact CZ-CD1 3.5Å; F73-Y82 HydrophobicContact CZ-CD1 3.5Å; F73-Y82 HydrophobicContact CZ-CD2 4.06Å; F73-Y82 HydrophobicContact CZ-CE1 4.16Å; F73-Y82 AromaticContact CZ-CG 3.44Å; F73-Y82 HydrophobicContact CZ-CG 3.44Å; F73-Y82 VanDerWaalsContact CZ-CG 3.44Å; E78-Y82 WeakPolarHBondContact O-CB 3.37Å; E78-Y82 PolarHBondContact O-N 2.75Å; L79-Y82 PolarHBondContact O-N 2.86Å; V80-Y82 VanDerWaalsContact C-N 3.31Å; V80-Y82 PolarHBondContact O-N 3.5Å; Y82-M84 VanDerWaalsContact C-N 3.31Å; Y82-M84 PolarHBondContact O-N 3.05Å; Y82-E85 PolarHBondContact O-N 2.87Å; Y82-N86 WeakPolarHBondContact CD2-ND2 3.32Å; Y82-N86 WeakPolarHBondContact O-CB 3.45Å; Y82-N86 PolarHBondContact O-N 2.9Å; Y82-N86 PolarHBondContact O-ND2 3.39Å
83	Y	88.8	Confident	84.3	Confident	18 Å²	18	59.8 Å²	59.8	7%	0.071	30%	0.295	C	S	.	.	H	α-helix	trans	-75.9	-17.4	-179.3	-71.4	-67.9	0	0	0	113.8	L67 F73 L79 V80 T81 Q89 L90	L67-Y83 HydrophobicContact CD1-CD2 4.05Å; L67-Y83 HydrophobicContact CD1-CE1 4.32Å; L67-Y83 HydrophobicContact CD1-CE2 3.42Å; L67-Y83 VanDerWaalsContact CD1-CE2 3.42Å; L67-Y83 HydrophobicContact CG-CE2 3.99Å; F73-Y83 AromaticContact CE2-CE2 3.97Å; F73-Y83 HydrophobicContact CE2-CE2 3.97Å; F73-Y83 HydrophobicContact CZ-CE2 4.35Å; L79-Y83 HydrophobicContact CD2-CD2 3.97Å; L79-Y83 HydrophobicContact CD2-CE2 4.15Å; L79-Y83 HydrophobicContact CG-CD2 4.29Å; L79-Y83 HydrophobicContact CG-CE2 4.13Å; L79-Y83 VanDerWaalsContact O-CD2 3.23Å; L79-Y83 WeakPolarHBondContact O-CD2 3.3Å; L79-Y83 PolarHBondContact O-N 3.4Å; V80-Y83 PolarHBondContact O-N 3.37Å; T81-Y83 PolarHBondContact O-N 2.86Å; Y83-Q89 HydrophobicContact CD1-CB 4.19Å; Y83-Q89 HydrophobicContact CE1-CB 4.14Å; Y83-L90 HydrophobicContact CD1-CB 3.76Å; Y83-L90 HydrophobicContact CD1-CD1 4.15Å; Y83-L90 HydrophobicContact CD1-CG 4.41Å; Y83-L90 HydrophobicContact CE1-CB 4.26Å; Y83-L90 HydrophobicContact CE1-CD1 4.11Å; Y83-L90 HydrophobicContact CG-CB 4.43Å
84	M	82.8	Confident	83.9	Confident	31 Å²	31	63.6 Å²	63.6	15%	0.153	32%	0.316	C	S	.	.	H	α-helix	trans	-75.4	-41	167.5	-68.9	175.9	74	0	0	112.1	I4 F31 V80 T81 Y82 L100 P103	I4-M84 HydrophobicContact CD1-CE 3.43Å; I4-M84 VanDerWaalsContact CD1-CE 3.43Å; I4-M84 HydrophobicContact CD1-SD 3.95Å; F31-M84 HydrophobicContact CE1-CE 4.05Å; F31-M84 HydrophobicContact CE1-CG 4.08Å; F31-M84 HydrophobicContact CE1-SD 4.08Å; F31-M84 HydrophobicContact CE2-SD 4.39Å; F31-M84 HydrophobicContact CZ-CE 3.85Å; F31-M84 HydrophobicContact CZ-CG 3.89Å; F31-M84 HydrophobicContact CZ-SD 3.45Å; F31-M84 WeakPolarHBondContact CZ-SD 3.47Å; V80-M84 HydrophobicContact CG1-CG 4.32Å; V80-M84 HydrophobicContact CG1-SD 3.96Å; V80-M84 VanDerWaalsContact O-CG 3.27Å; V80-M84 WeakPolarHBondContact O-CG 3.5Å; V80-M84 PolarHBondContact O-N 3.24Å; T81-M84 PolarHBondContact O-N 3.2Å; Y82-M84 VanDerWaalsContact C-N 3.31Å; Y82-M84 PolarHBondContact O-N 3.05Å; M84-L100 HydrophobicContact CG-CB 3.83Å; M84-L100 HydrophobicContact CG-CD1 4.46Å; M84-P103 HydrophobicContact CE-CG 4.32Å
85	E	81.4	Confident	83.7	Confident	86 Å²	86	62 Å²	62	40%	0.402	31%	0.307	S	S	.	.	H	α-helix	trans	-81	-25.7	-176.2	-69.2	-175.3	160.5	0	0	112.9	R2 T81 Y82	R2-E85 WeakPolarHBondContact CB-OE1 3.28Å; R2-E85 WeakPolarHBondContact CD-OE1 3.42Å; R2-E85 WeakPolarHBondContact CG-OE1 3.44Å; R2-E85 PolarHBondContact N-OE1 3.37Å; T81-E85 HydrophobicContact CG2-CG 4.3Å; T81-E85 WeakPolarHBondContact O-CG 3.5Å; T81-E85 PolarHBondContact O-N 3.45Å; Y82-E85 PolarHBondContact O-N 2.87Å
86	N	82.4	Confident	83.7	Confident	66 Å²	66	63.1 Å²	63.1	35%	0.353	31%	0.31	S	S	.	.	S	Bend	trans	-110	68.2	-177.4	-60.5	-84.2	0	0	0	111	Y82 G88 Q89	Y82-N86 WeakPolarHBondContact CD2-ND2 3.32Å; Y82-N86 WeakPolarHBondContact O-CB 3.45Å; Y82-N86 PolarHBondContact O-N 2.9Å; Y82-N86 PolarHBondContact O-ND2 3.39Å; N86-G88 PolarHBondContact O-N 2.97Å; N86-Q89 HydrophobicContact CB-CG 3.88Å; N86-Q89 PolarHBondContact O-N 2.85Å
87	E	76.6	Confident	83.8	Confident	128 Å²	128	65 Å²	65	60%	0.598	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	129.7	173.7	-64.2	-168.6	159.9	0	0	110	K101	E87-K101 VanDerWaalsContact OE1-CE 3.29Å; E87-K101 WeakPolarHBondContact OE1-CE 3.43Å
88	G	80.8	Confident	84.2	Confident	18 Å²	18	64.2 Å²	64.2	19%	0.186	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	109.7	-18.8	-177.6	0	0	0	0	0	115.7	N86 R91	N86-G88 PolarHBondContact O-N 2.97Å; G88-R91 VanDerWaalsContact O-CZ 3.28Å; G88-R91 PolarHBondContact O-NE 2.58Å; G88-R91 PolarHBondContact O-NH2 3.48Å
89	Q	85.7	Confident	84.3	Confident	120 Å²	120	63.7 Å²	63.7	56%	0.561	31%	0.311	S	S	*	.	S	Bend	trans	-84.2	-31.3	-176	-67.1	-61.6	-32.3	0	0	113.7	Y83 N86	Y83-Q89 HydrophobicContact CD1-CB 4.19Å; Y83-Q89 HydrophobicContact CE1-CB 4.14Å; N86-Q89 HydrophobicContact CB-CG 3.88Å; N86-Q89 PolarHBondContact O-N 2.85Å
90	L	87.2	Confident	84.1	Confident	12 Å²	12	64 Å²	64	6%	0.063	31%	0.313	C	S	.	.			trans	-90.4	111.7	-178.6	-168	63.7	0	0	0	110.6	I56 L67 Y83 I98 L100	I56-L90 HydrophobicContact CD1-CD1 4.3Å; I56-L90 HydrophobicContact CD1-CD2 3.77Å; I56-L90 HydrophobicContact CD1-CG 4.27Å; L67-L90 HydrophobicContact CD1-CD1 3.28Å; Y83-L90 HydrophobicContact CD1-CB 3.76Å; Y83-L90 HydrophobicContact CD1-CD1 4.15Å; Y83-L90 HydrophobicContact CD1-CG 4.41Å; Y83-L90 HydrophobicContact CE1-CB 4.26Å; Y83-L90 HydrophobicContact CE1-CD1 4.11Å; Y83-L90 HydrophobicContact CG-CB 4.43Å; L90-I98 HydrophobicContact CB-CB 4.32Å; L90-I98 HydrophobicContact CD2-CB 3.93Å; L90-I98 HydrophobicContact CD2-CG2 3.76Å; L90-I98 HydrophobicContact CG-CB 3.87Å; L90-I98 HydrophobicContact CG-CD1 4.28Å; L90-I98 HydrophobicContact CG-CG2 4.26Å; L90-I98 PolarHBondContact O-N 2.94Å; L90-L100 HydrophobicContact CD2-CD1 4.15Å; L90-L100 HydrophobicContact CD2-CD2 4.14Å; L90-L100 HydrophobicContact CD2-CG 4.04Å
91	R	86.5	Confident	83.7	Confident	143 Å²	143	67.4 Å²	67.4	54%	0.54	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-134.7	149.9	-174.6	-62.6	178.9	-177.2	-92	-3.9	112.2	G88 G95 D96 L97	G88-R91 VanDerWaalsContact O-CZ 3.28Å; G88-R91 PolarHBondContact O-NE 2.58Å; G88-R91 PolarHBondContact O-NH2 3.48Å; R91-G95 PolarHBondContact NH1-O 3.04Å; R91-D96 CarbonylContact C-O 3.52Å; R91-D96 VanDerWaalsContact CA-O 3.28Å; R91-D96 WeakPolarHBondContact CA-O 3.46Å; R91-L97 HydrophobicContact CG-CD1 4.36Å
92	E	83.2	Confident	83.7	Confident	63 Å²	63	71.7 Å²	71.7	29%	0.294	34%	0.343	S	S	.	.			trans	-76.4	168.3	166.6	-78	-165.7	162	0	0	111.9	R49 T54 N94 G95 D96 I98	R49-E92 IonicContact CZ-OE2 2.8Å; R49-E92 IonicContact NH1-OE1 2.76Å; R49-E92 PolarHBondContact NH1-OE1 3.46Å; R49-E92 IonicContact NH1-OE2 3.55Å; R49-E92 PolarHBondContact NH1-OE2 3.42Å; T54-E92 WeakPolarHBondContact CG2-OE1 3.13Å; T54-E92 PolarHBondContact OG1-OE1 3.43Å; E92-N94 WeakPolarHBondContact CB-OD1 3.38Å; E92-N94 PolarHBondContact O-N 2.71Å; E92-G95 PolarHBondContact O-N 3Å; E92-D96 PolarHBondContact N-O 3.15Å; E92-I98 HydrophobicContact CG-CD1 3.83Å; E92-I98 HydrophobicContact CG-CG1 4.2Å
93	K	80	Confident	83.5	Confident	226 Å²	226	70.1 Å²	70.1	98%	0.983	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.5	179.4	-67.7	-175.5	178.9	-179.3	0	113.6	G95	K93-G95 VanDerWaalsContact C-N 3.28Å
94	N	81.8	Confident	83	Confident	103 Å²	103	69.7 Å²	69.7	55%	0.551	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.9	175.8	65.5	-6.3	0	0	0	113.1	E92 D96	E92-N94 WeakPolarHBondContact CB-OD1 3.38Å; E92-N94 PolarHBondContact O-N 2.71Å; N94-D96 VanDerWaalsContact ND2-CG 3.34Å; N94-D96 PolarHBondContact ND2-OD2 3.49Å; N94-D96 WeakPolarHBondContact OD1-CB 3.33Å; N94-D96 PolarHBondContact OD1-N 3.47Å
95	G	82.2	Confident	82.7	Confident	37 Å²	37	70 Å²	70	38%	0.381	34%	0.342	S	S	.	.	S	Bend	trans	96.8	-8.1	-179.3	0	0	0	0	0	114.7	R91 E92 K93	R91-G95 PolarHBondContact NH1-O 3.04Å; E92-G95 PolarHBondContact O-N 3Å; K93-G95 VanDerWaalsContact C-N 3.28Å
96	D	84.2	Confident	82.5	Confident	80 Å²	80	67.6 Å²	67.6	43%	0.428	33%	0.334	S	S	.	.			trans	-65.1	139.1	-177.9	-67	-20.4	0	0	0	111.4	R91 E92 N94	R91-D96 CarbonylContact C-O 3.52Å; R91-D96 VanDerWaalsContact CA-O 3.28Å; R91-D96 WeakPolarHBondContact CA-O 3.46Å; E92-D96 PolarHBondContact N-O 3.15Å; N94-D96 VanDerWaalsContact ND2-CG 3.34Å; N94-D96 PolarHBondContact ND2-OD2 3.49Å; N94-D96 WeakPolarHBondContact OD1-CB 3.33Å; N94-D96 PolarHBondContact OD1-N 3.47Å
97	L	86	Confident	81.9	Confident	62 Å²	62	69.9 Å²	69.9	33%	0.325	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-73.9	141	-178.7	-172.1	64.5	0	0	0	111.4	R49 R91 E99	R49-L97 PolarHBondContact NE-O 2.97Å; R49-L97 PolarHBondContact NH2-O 2.88Å; R49-L97 VanDerWaalsContact NH2-O 3.09Å; R91-L97 HydrophobicContact CG-CD1 4.36Å; L97-E99 HydrophobicContact CD2-CG 3.78Å; L97-E99 HydrophobicContact CG-CG 4.01Å
98	I	88.7	Confident	82	Confident	10 Å²	10	66.4 Å²	66.4	5%	0.051	33%	0.328	C	S	.	.			trans	-113.9	113.4	167.9	-52	-179.5	0	0	0	107.9	V47 I56 L90 E92	V47-I98 HydrophobicContact CB-CG2 4.07Å; V47-I98 HydrophobicContact CG1-CG2 3.77Å; V47-I98 HydrophobicContact CG2-CG2 4.08Å; I56-I98 HydrophobicContact CD1-CD1 3.73Å; I56-I98 HydrophobicContact CD1-CG2 4.17Å; I56-I98 HydrophobicContact CG1-CD1 4.36Å; L90-I98 HydrophobicContact CB-CB 4.32Å; L90-I98 HydrophobicContact CD2-CB 3.93Å; L90-I98 HydrophobicContact CD2-CG2 3.76Å; L90-I98 HydrophobicContact CG-CB 3.87Å; L90-I98 HydrophobicContact CG-CD1 4.28Å; L90-I98 HydrophobicContact CG-CG2 4.26Å; L90-I98 PolarHBondContact O-N 2.94Å; E92-I98 HydrophobicContact CG-CD1 3.83Å; E92-I98 HydrophobicContact CG-CG1 4.2Å
99	E	86	Confident	82.1	Confident	64 Å²	64	67.7 Å²	67.7	30%	0.299	33%	0.333	S	S	.	.			trans	-95.9	132.8	-179.5	-58.2	-176.9	145	0	0	110.8	G29 L97 K101	G29-E99 VanDerWaalsContact CA-O 3.32Å; G29-E99 WeakPolarHBondContact CA-O 3.5Å; L97-E99 HydrophobicContact CD2-CG 3.78Å; L97-E99 HydrophobicContact CG-CG 4.01Å; E99-K101 HydrophobicContact CB-CD 4.26Å; E99-K101 HydrophobicContact CB-CG 4.18Å; E99-K101 VanDerWaalsContact CD-CE 3.49Å; E99-K101 IonicContact OE1-NZ 3.49Å; E99-K101 PolarHBondContact OE1-NZ 3.43Å; E99-K101 WeakPolarHBondContact OE2-CD 3.46Å; E99-K101 WeakPolarHBondContact OE2-CE 3.21Å; E99-K101 IonicContact OE2-NZ 2.68Å; E99-K101 PolarHBondContact OE2-NZ 2.66Å
100	L	86.1	Confident	82.1	Confident	6 Å²	6	63.1 Å²	63.1	3%	0.031	31%	0.313	C	S	.	.			trans	-105.7	78.9	173.1	-58.5	-173.9	0	0	0	109.8	F31 L45 V47 M84 L90	F31-L100 HydrophobicContact CB-CD2 3.86Å; F31-L100 HydrophobicContact CD1-CB 3.77Å; F31-L100 HydrophobicContact CD1-CD2 4.07Å; F31-L100 HydrophobicContact CD1-CG 4.47Å; F31-L100 HydrophobicContact CE1-CB 3.86Å; F31-L100 HydrophobicContact CG-CB 4.39Å; F31-L100 HydrophobicContact CG-CD2 3.92Å; L45-L100 HydrophobicContact CD2-CD1 3.8Å; L45-L100 HydrophobicContact CD2-CD2 3.98Å; V47-L100 HydrophobicContact CB-CD2 4.4Å; V47-L100 HydrophobicContact CG1-CD2 3.97Å; V47-L100 HydrophobicContact CG2-CD2 3.48Å; V47-L100 VanDerWaalsContact CG2-CD2 3.48Å; M84-L100 HydrophobicContact CG-CB 3.83Å; M84-L100 HydrophobicContact CG-CD1 4.46Å; L90-L100 HydrophobicContact CD2-CD1 4.15Å; L90-L100 HydrophobicContact CD2-CD2 4.14Å; L90-L100 HydrophobicContact CD2-CG 4.04Å
101	K	80	Confident	81.9	Confident	73 Å²	73	66.7 Å²	66.7	32%	0.317	34%	0.336	S	S	.	.			trans	-96	-44.3	-172.8	-74.6	179.7	172.8	166	0	113.6	G29 E87 E99	G29-K101 PolarHBondContact O-N 2.84Å; E87-K101 VanDerWaalsContact OE1-CE 3.29Å; E87-K101 WeakPolarHBondContact OE1-CE 3.43Å; E99-K101 HydrophobicContact CB-CD 4.26Å; E99-K101 HydrophobicContact CB-CG 4.18Å; E99-K101 VanDerWaalsContact CD-CE 3.49Å; E99-K101 IonicContact OE1-NZ 3.49Å; E99-K101 PolarHBondContact OE1-NZ 3.43Å; E99-K101 WeakPolarHBondContact OE2-CD 3.46Å; E99-K101 WeakPolarHBondContact OE2-CE 3.21Å; E99-K101 IonicContact OE2-NZ 2.68Å; E99-K101 PolarHBondContact OE2-NZ 2.66Å
102	Y	80.4	Confident	82.1	Confident	100 Å²	100	62.2 Å²	62.2	39%	0.392	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	92	-166.9	-50.3	-70.9	0	0	0	111.7	V27 G29 S30 F31 L104	V27-Y102 HydrophobicContact CG2-CD2 3.18Å; V27-Y102 HydrophobicContact CG2-CE2 3.42Å; V27-Y102 VanDerWaalsContact CG2-CE2 3.42Å; V27-Y102 HydrophobicContact CG2-CG 3.97Å; G29-Y102 PolarHBondContact O-N 3.12Å; S30-Y102 WeakPolarHBondContact CA-O 3.11Å; S30-Y102 WeakPolarHBondContact OG-CB 3.37Å; F31-Y102 PolarHBondContact N-O 2.93Å; F31-Y102 VanDerWaalsContact N-O 3.08Å; Y102-L104 PolarHBondContact O-N 3.4Å
103	P	82.8	Confident	82.5	Confident	27 Å²	27	59.5 Å²	59.5	18%	0.175	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	124.8	176.1	20.9	-29.6	0	0	0	110.6	W8 F31 M84 N591	W8-P103 HydrophobicContact CB-CB 3.87Å; W8-P103 HydrophobicContact CG-CB 4.36Å; F31-P103 HydrophobicContact CE1-CB 4Å; F31-P103 HydrophobicContact CE1-CG 4.4Å; F31-P103 HydrophobicContact CE2-CB 4.04Å; F31-P103 HydrophobicContact CZ-CB 3.56Å; F31-P103 HydrophobicContact CZ-CG 4.19Å; M84-P103 HydrophobicContact CE-CG 4.32Å; P103-N591 PolarHBondContact O-ND2 2.9Å
104	L	79	Confident	83.1	Confident	8 Å²	8	49.3 Å²	49.3	4%	0.042	26%	0.263	C	S	.	.			trans	-89.1	107	173.6	-156.8	80.3	0	0	0	108.6	H10 L21 L22 K25 F31 L32 Y102	H10-L104 PolarHBondContact NE2-O 2.93Å; L21-L104 HydrophobicContact CB-CD2 4.39Å; L21-L104 HydrophobicContact CD2-CD2 3.75Å; L21-L104 HydrophobicContact CG-CD2 3.59Å; L22-L104 HydrophobicContact CD2-CB 4.39Å; L22-L104 HydrophobicContact CD2-CD2 4.21Å; K25-L104 HydrophobicContact CB-CD1 3.92Å; K25-L104 HydrophobicContact CB-CD2 4.42Å; F31-L104 PolarHBondContact O-N 3.27Å; L32-L104 HydrophobicContact CB-CB 4.41Å; L32-L104 HydrophobicContact CD2-CD2 4.1Å; Y102-L104 PolarHBondContact O-N 3.4Å
105	I	76.9	Confident	83.7	Confident	39 Å²	39	45 Å²	45	20%	0.2	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-76.9	136.9	-171.7	-75.8	173.6	0	0	0	110.8	R7 E107 N591	R7-I105 HydrophobicContact CB-CB 4.31Å; R7-I105 HydrophobicContact CB-CD1 4.26Å; R7-I105 HydrophobicContact CB-CG1 3.87Å; R7-I105 HydrophobicContact CB-CG2 3.8Å; R7-I105 HydrophobicContact CG-CG2 4.26Å; R7-I105 CarbonylContact O-C 3.58Å; R7-I105 WeakPolarHBondContact O-CA 3.31Å; I105-E107 PolarHBondContact O-N 3.28Å; I105-N591 HydrophobicContact CB-CB 4.21Å; I105-N591 HydrophobicContact CD1-CB 3.76Å; I105-N591 WeakPolarHBondContact CD1-O 3.49Å; I105-N591 HydrophobicContact CG1-CB 4.12Å
106	S	75.3	Confident	84.1	Confident	34 Å²	34	44.1 Å²	44.1	24%	0.238	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-60.2	124.1	170.6	-177.1	0	0	0	0	109.1	R7 H10	R7-S106 WeakPolarHBondContact O-CB 3.49Å; R7-S106 PolarHBondContact O-N 3.02Å; H10-S106 WeakPolarHBondContact CE1-CA 3.33Å; H10-S106 PolarHBondContact CE1-N 3.1Å; H10-S106 PolarHBondContact NE2-N 3.09Å
107	E	70.9	Confident	84.1	Confident	114 Å²	114	40.4 Å²	40.4	53%	0.533	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-65.9	149.7	174.2	-68.6	-176	148.4	0	0	110.2	K25 I105	K25-E107 IonicContact NZ-OE1 3.71Å; K25-E107 PolarHBondContact NZ-OE1 2.98Å; K25-E107 IonicContact NZ-OE2 3.47Å; K25-E107 PolarHBondContact NZ-OE2 3.18Å; I105-E107 PolarHBondContact O-N 3.28Å
108	D	79.3	Confident	83.8	Confident	55 Å²	55	40.9 Å²	40.9	29%	0.294	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-64.4	146.1	172.7	-68.9	-36.5	0	0	0	109.4	R7 T110 F115	R7-D108 IonicContact CZ-OD1 3.68Å; R7-D108 IonicContact NH1-OD1 3.83Å; R7-D108 IonicContact NH2-OD1 2.7Å; R7-D108 PolarHBondContact NH2-OD1 3.46Å; R7-D108 IonicContact NH2-OD2 3.5Å; D108-T110 PolarHBondContact O-N 3.11Å; D108-F115 HydrophobicContact CB-CD1 4.11Å; D108-F115 HydrophobicContact CB-CE1 3.79Å
109	P	82.3	Confident	83.7	Confident	45 Å²	45	41.4 Å²	41.4	29%	0.292	21%	0.209	S	C	.	.	S	Bend	trans	-66.2	-10.4	-177.7	31.5	-41	0	0	0	113.6	F115 Y149 L183	P109-F115 HydrophobicContact CG-CE1 4.18Å; P109-F115 HydrophobicContact CG-CE2 3.92Å; P109-F115 HydrophobicContact CG-CZ 3.72Å; P109-Y149 HydrophobicContact CB-CE1 4.41Å; P109-Y149 WeakPolarHBondContact CB-OH 3.45Å; P109-Y149 HydrophobicContact CG-CE1 3.61Å; P109-Y149 WeakPolarHBondContact CG-OH 3.28Å; P109-L183 HydrophobicContact CB-CD1 4.02Å; P109-L183 HydrophobicContact CG-CD1 3.64Å
110	T	85.5	Confident	83.9	Confident	24 Å²	24	41.1 Å²	41.1	15%	0.147	21%	0.211	C	C	.	.			trans	-156.8	152	-177.6	-173.6	0	0	0	0	109.8	D108 E112 W114 F115 L183	D108-T110 PolarHBondContact O-N 3.11Å; T110-E112 VanDerWaalsContact C-N 3.32Å; T110-E112 HydrophobicContact CG2-CB 4.09Å; T110-E112 WeakPolarHBondContact OG1-CB 3.45Å; T110-E112 WeakPolarHBondContact OG1-CG 3.47Å; T110-E112 PolarHBondContact OG1-N 2.8Å; T110-W114 HydrophobicContact CG2-CH2 4.02Å; T110-W114 HydrophobicContact CG2-CZ3 4.22Å; T110-F115 HydrophobicContact CG2-CB 3.64Å; T110-F115 HydrophobicContact CG2-CD1 4.34Å; T110-F115 HydrophobicContact CG2-CD2 4.26Å; T110-F115 HydrophobicContact CG2-CG 3.83Å; T110-L183 HydrophobicContact CG2-CD1 4.46Å
111	T	82.9	Confident	84.1	Confident	88 Å²	88	41.6 Å²	41.6	54%	0.54	22%	0.218	S	C	.	.			trans	-89.7	-1	171.2	55	0	0	0	0	112.4	Q225	T111-Q225 PolarHBondContact O-NE2 3.17Å
112	E	90.3	Very high	84.6	Confident	49 Å²	49	46 Å²	46	23%	0.229	24%	0.237	C	C	.	.			trans	-66	135.9	-175.6	-66.8	-71.9	136.1	0	0	112.5	T110 W114 F115 K184	T110-E112 VanDerWaalsContact C-N 3.32Å; T110-E112 HydrophobicContact CG2-CB 4.09Å; T110-E112 WeakPolarHBondContact OG1-CB 3.45Å; T110-E112 WeakPolarHBondContact OG1-CG 3.47Å; T110-E112 PolarHBondContact OG1-N 2.8Å; E112-W114 VanDerWaalsContact C-N 3.31Å; E112-W114 HydrophobicContact CB-CD2 3.97Å; E112-W114 HydrophobicContact CB-CG 4.39Å; E112-W114 HydrophobicContact CB-CH2 4.17Å; E112-W114 HydrophobicContact CB-CZ2 3.48Å; E112-W114 VanDerWaalsContact CB-CZ2 3.48Å; E112-W114 HydrophobicContact CG-CH2 4.47Å; E112-W114 HydrophobicContact CG-CZ2 3.61Å; E112-W114 PolarHBondContact O-N 3.31Å; E112-W114 PolarHBondContact OE2-NE1 2.77Å; E112-F115 VanDerWaalsContact O-CB 3.32Å; E112-F115 WeakPolarHBondContact O-CB 3.5Å; E112-F115 PolarHBondContact O-N 3.08Å; E112-F115 VanDerWaalsContact O-N 3.08Å; E112-K184 HydrophobicContact CG-CB 4.24Å; E112-K184 HydrophobicContact CG-CD 4.25Å; E112-K184 HydrophobicContact CG-CG 4.06Å; E112-K184 VanDerWaalsContact OE1-CD 3.31Å; E112-K184 WeakPolarHBondContact OE1-CD 3.24Å; E112-K184 WeakPolarHBondContact OE1-CE 3.36Å
113	R	92.3	Very high	85.1	Confident	6 Å²	6	45.9 Å²	45.9	2%	0.023	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.5	-171.9	-54.8	-173.7	52.6	-144.8	-8	113.7	F115 N210 A211 R222 Q225 E229 E241 E242	R113-F115 PolarHBondContact O-N 3.23Å; R113-F115 VanDerWaalsContact O-N 3.14Å; R113-N210 HydrophobicContact CB-CB 3.85Å; R113-N210 WeakPolarHBondContact CB-OD1 3.32Å; R113-N210 CarbonylContact O-C 3.59Å; R113-N210 WeakPolarHBondContact O-CA 3.39Å; R113-A211 WeakPolarHBondContact O-CB 3.42Å; R113-A211 PolarHBondContact O-N 3.47Å; R113-R222 VanDerWaalsContact CG-NH1 3.32Å; R113-Q225 HydrophobicContact CG-CG 4.42Å; R113-E229 WeakPolarHBondContact CD-OE1 3.26Å; R113-E229 IonicContact CZ-OE2 2.97Å; R113-E229 IonicContact NH1-OE1 2.94Å; R113-E229 IonicContact NH1-OE2 3.62Å; R113-E229 PolarHBondContact NH1-OE2 3.13Å; R113-E241 IonicContact CZ-OE2 3.99Å; R113-E241 IonicContact NH1-OE1 3.08Å; R113-E241 IonicContact NH1-OE2 3.96Å; R113-E241 PolarHBondContact NH1-OE2 3.11Å; R113-E241 IonicContact NH2-OE1 3.44Å; R113-E241 IonicContact NH2-OE2 3.61Å; R113-E241 PolarHBondContact NH2-OE2 2.93Å; R113-E242 IonicContact CZ-OE1 2.9Å; R113-E242 IonicContact NE-OE1 2.7Å; R113-E242 IonicContact NH2-OE1 3.41Å; R113-E242 PolarHBondContact NH2-OE1 3.02Å
114	W	93.2	Very high	85.6	Confident	11 Å²	11	44.6 Å²	44.6	4%	0.042	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-4.6	174	48.8	-103.4	0	0	0	113	T110 E112 H116 F137 L138 V139 L183 I187 P208	T110-W114 HydrophobicContact CG2-CH2 4.02Å; T110-W114 HydrophobicContact CG2-CZ3 4.22Å; E112-W114 VanDerWaalsContact C-N 3.31Å; E112-W114 HydrophobicContact CB-CD2 3.97Å; E112-W114 HydrophobicContact CB-CG 4.39Å; E112-W114 HydrophobicContact CB-CH2 4.17Å; E112-W114 HydrophobicContact CB-CZ2 3.48Å; E112-W114 VanDerWaalsContact CB-CZ2 3.48Å; E112-W114 HydrophobicContact CG-CH2 4.47Å; E112-W114 HydrophobicContact CG-CZ2 3.61Å; E112-W114 PolarHBondContact O-N 3.31Å; E112-W114 PolarHBondContact OE2-NE1 2.77Å; W114-H116 PolarHBondContact O-CD2 2.72Å; W114-F137 HydrophobicContact CB-CD2 4.49Å; W114-F137 HydrophobicContact CB-CE2 3.9Å; W114-F137 HydrophobicContact CD2-CE2 4.43Å; W114-F137 AromaticContact CG-CE2 3.94Å; W114-F137 HydrophobicContact CG-CE2 3.94Å; W114-L138 WeakPolarHBondContact O-CA 3.27Å; W114-V139 HydrophobicContact CD2-CG2 4.39Å; W114-V139 HydrophobicContact CE3-CB 3.5Å; W114-V139 HydrophobicContact CE3-CG2 3.31Å; W114-V139 HydrophobicContact CH2-CG2 4.47Å; W114-V139 HydrophobicContact CZ3-CB 3.51Å; W114-V139 HydrophobicContact CZ3-CG1 4.03Å; W114-V139 HydrophobicContact CZ3-CG2 3.38Å; W114-V139 PolarHBondContact O-N 3.14Å; W114-L183 HydrophobicContact CH2-CB 3.76Å; W114-L183 HydrophobicContact CZ3-CB 4.4Å; W114-I187 HydrophobicContact CE3-CG1 4.4Å; W114-I187 HydrophobicContact CH2-CB 4.44Å; W114-I187 HydrophobicContact CH2-CG1 3.74Å; W114-I187 HydrophobicContact CZ2-CB 4.05Å; W114-I187 HydrophobicContact CZ2-CG1 3.85Å; W114-I187 HydrophobicContact CZ2-CG2 4.41Å; W114-I187 HydrophobicContact CZ3-CG1 4.04Å; W114-P208 HydrophobicContact CB-CB 3.76Å; W114-P208 HydrophobicContact CG-CB 4.4Å
115	F	93.1	Very high	86.4	Confident	13 Å²	13	47.7 Å²	47.7	6%	0.057	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-89.1	122.5	174.4	-174.9	-105.8	0	0	0	111.8	D108 P109 T110 E112 R113 G117 V139 E141 Y149 A211	D108-F115 HydrophobicContact CB-CD1 4.11Å; D108-F115 HydrophobicContact CB-CE1 3.79Å; P109-F115 HydrophobicContact CG-CE1 4.18Å; P109-F115 HydrophobicContact CG-CE2 3.92Å; P109-F115 HydrophobicContact CG-CZ 3.72Å; T110-F115 HydrophobicContact CG2-CB 3.64Å; T110-F115 HydrophobicContact CG2-CD1 4.34Å; T110-F115 HydrophobicContact CG2-CD2 4.26Å; T110-F115 HydrophobicContact CG2-CG 3.83Å; E112-F115 VanDerWaalsContact O-CB 3.32Å; E112-F115 WeakPolarHBondContact O-CB 3.5Å; E112-F115 PolarHBondContact O-N 3.08Å; E112-F115 VanDerWaalsContact O-N 3.08Å; R113-F115 PolarHBondContact O-N 3.23Å; R113-F115 VanDerWaalsContact O-N 3.14Å; F115-G117 VanDerWaalsContact CE1-CA 3.46Å; F115-V139 CarbonylContact C-O 3.51Å; F115-V139 WeakPolarHBondContact CA-O 3.3Å; F115-V139 HydrophobicContact CD2-CB 4.26Å; F115-V139 HydrophobicContact CD2-CG1 4.04Å; F115-V139 HydrophobicContact CE2-CG1 4.44Å; F115-E141 HydrophobicContact CZ-CG 4Å; F115-Y149 AromaticContact CE2-CD1 3.73Å; F115-Y149 HydrophobicContact CE2-CD1 3.73Å; F115-Y149 AromaticContact CE2-CE1 3.89Å; F115-Y149 HydrophobicContact CE2-CE1 3.89Å; F115-Y149 HydrophobicContact CZ-CD1 4.29Å; F115-Y149 HydrophobicContact CZ-CE1 4.03Å; F115-A211 WeakPolarHBondContact O-CB 3.26Å
116	H	90.5	Very high	87.1	Confident	18 Å²	18	51.8 Å²	51.8	8%	0.083	26%	0.262	C	S	.	.			trans	-105.2	3.6	-175.9	-75.7	-108.5	0	0	0	113.6	W114 K118 I119 M127 V139 F209	W114-H116 PolarHBondContact O-CD2 2.72Å; H116-K118 PolarHBondContact O-N 2.81Å; H116-I119 HydrophobicContact CB-CD1 3.61Å; H116-I119 HydrophobicContact CB-CG1 3.91Å; H116-I119 HydrophobicContact CB-CG2 4.42Å; H116-M127 WeakPolarHBondContact ND1-CE 2.98Å; H116-V139 PolarHBondContact N-O 3.39Å; H116-F209 AromaticContact CE1-CD1 3.51Å; H116-F209 AromaticContact CE1-CE1 3.88Å; H116-F209 AromaticContact NE2-CD1 3.69Å; H116-F209 PolarHBondContact NE2-O 2.94Å
117	G	85.6	Confident	87.8	Confident	3 Å²	3	52.7 Å²	52.7	3%	0.031	26%	0.264	C	S	.	.			trans	60.2	-135.2	-177.3	0	0	0	0	0	112.4	F115 I119 R140 E141	F115-G117 VanDerWaalsContact CE1-CA 3.46Å; G117-I119 PolarHBondContact O-N 2.8Å; G117-I119 VanDerWaalsContact O-N 3.1Å; G117-R140 CarbonylContact O-C 3.56Å; G117-R140 WeakPolarHBondContact O-CA 3.17Å; G117-R140 WeakPolarHBondContact O-CB 3.49Å; G117-E141 PolarHBondContact O-N 3.38Å
118	K	79.6	Confident	88.9	Confident	71 Å²	71	47.2 Å²	47.2	31%	0.309	24%	0.238	S	C	.	.	S	Bend	trans	-84.5	76.7	-174.8	-66.1	-177.2	178.8	-178.7	0	112.3	H116 E141	H116-K118 PolarHBondContact O-N 2.81Å; K118-E141 WeakPolarHBondContact CE-OE2 3.29Å; K118-E141 HydrophobicContact CG-CB 4.11Å; K118-E141 VanDerWaalsContact CG-CD 3.48Å; K118-E141 HydrophobicContact CG-CG 4.28Å; K118-E141 VanDerWaalsContact CG-OE2 3.27Å; K118-E141 WeakPolarHBondContact CG-OE2 3.43Å
119	I	86	Confident	89.5	Confident	21 Å²	21	48.8 Å²	48.8	11%	0.108	25%	0.246	C	C	.	.			trans	-111.7	150.1	165	64.6	167.6	0	0	0	111.2	H116 G117 E123 A124 M127 L138 R140	H116-I119 HydrophobicContact CB-CD1 3.61Å; H116-I119 HydrophobicContact CB-CG1 3.91Å; H116-I119 HydrophobicContact CB-CG2 4.42Å; G117-I119 PolarHBondContact O-N 2.8Å; G117-I119 VanDerWaalsContact O-N 3.1Å; I119-E123 HydrophobicContact CB-CB 4.41Å; I119-A124 HydrophobicContact CD1-CB 3.91Å; I119-M127 HydrophobicContact CD1-SD 4.17Å; I119-L138 HydrophobicContact CD1-CD1 3.94Å; I119-L138 HydrophobicContact CD1-CD2 4.27Å; I119-R140 HydrophobicContact CD1-CB 4.36Å; I119-R140 HydrophobicContact CG1-CB 3.61Å; I119-R140 HydrophobicContact CG1-CG 4.33Å; I119-R140 WeakPolarHBondContact O-CD 3.41Å; I119-R140 PolarHBondContact O-NH1 3.24Å
120	T	89.5	Confident	89.7	Confident	58 Å²	58	53 Å²	53	36%	0.356	26%	0.262	S	S	.	.			trans	-74.3	162.5	176.9	65.2	0	0	0	0	111.5	K122 E123 A124	T120-K122 VanDerWaalsContact C-N 3.29Å; T120-K122 PolarHBondContact O-N 3.37Å; T120-E123 WeakPolarHBondContact CB-OE2 3.48Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.41Å; T120-E123 PolarHBondContact N-OE2 2.81Å; T120-E123 PolarHBondContact O-N 3.48Å; T120-E123 WeakPolarHBondContact OG1-CB 3.31Å; T120-E123 VanDerWaalsContact OG1-CD 3.22Å; T120-E123 VanDerWaalsContact OG1-CG 3.23Å; T120-E123 WeakPolarHBondContact OG1-CG 3.5Å; T120-E123 PolarHBondContact OG1-N 3.29Å; T120-E123 VanDerWaalsContact OG1-N 3.16Å; T120-E123 PolarHBondContact OG1-OE2 2.68Å; T120-A124 PolarHBondContact O-N 3.49Å; T120-A124 VanDerWaalsContact O-N 3.09Å
121	G	90.9	Very high	89.7	Confident	17 Å²	17	54.5 Å²	54.5	18%	0.175	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-42.9	173	0	0	0	0	0	112.2	E123 A124 E125 R140	G121-E123 PolarHBondContact O-N 3.33Å; G121-A124 WeakPolarHBondContact O-CB 3.2Å; G121-A124 PolarHBondContact O-N 2.73Å; G121-E125 WeakPolarHBondContact O-CG 3.37Å; G121-E125 PolarHBondContact O-N 2.78Å; G121-R140 VanDerWaalsContact CA-CZ 3.49Å; G121-R140 VanDerWaalsContact CA-NH2 3.3Å
122	K	91.2	Very high	89.8	Confident	166 Å²	166	52.8 Å²	52.8	72%	0.722	27%	0.265	S	S	*	.	H	α-helix	trans	-64.8	-37.8	179.5	-172.4	175.4	-179.4	178.9	0	113.5	T120 K126	T120-K122 VanDerWaalsContact C-N 3.29Å; T120-K122 PolarHBondContact O-N 3.37Å; K122-K126 WeakPolarHBondContact O-CB 3.19Å; K122-K126 PolarHBondContact O-N 2.9Å
123	E	90.1	Very high	89.6	Confident	96 Å²	96	53.9 Å²	53.9	45%	0.449	27%	0.268	S	S	.	.	H	α-helix	trans	-66.7	-44.7	173.9	-73.5	160.5	151.2	0	0	111	I119 T120 G121 E125 K126 M127	I119-E123 HydrophobicContact CB-CB 4.41Å; T120-E123 WeakPolarHBondContact CB-OE2 3.48Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.41Å; T120-E123 PolarHBondContact N-OE2 2.81Å; T120-E123 PolarHBondContact O-N 3.48Å; T120-E123 WeakPolarHBondContact OG1-CB 3.31Å; T120-E123 VanDerWaalsContact OG1-CD 3.22Å; T120-E123 VanDerWaalsContact OG1-CG 3.23Å; T120-E123 WeakPolarHBondContact OG1-CG 3.5Å; T120-E123 PolarHBondContact OG1-N 3.29Å; T120-E123 VanDerWaalsContact OG1-N 3.16Å; T120-E123 PolarHBondContact OG1-OE2 2.68Å; G121-E123 PolarHBondContact O-N 3.33Å; E123-E125 VanDerWaalsContact C-N 3.34Å; E123-E125 PolarHBondContact O-N 3.5Å; E123-K126 PolarHBondContact O-N 2.74Å; E123-M127 VanDerWaalsContact O-CG 3.24Å; E123-M127 WeakPolarHBondContact O-CG 3.36Å; E123-M127 PolarHBondContact O-N 2.9Å
124	A	93.8	Very high	89.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-43	175.4	0	0	0	0	0	112.3	I119 T120 G121 M127 L128 L138	I119-A124 HydrophobicContact CD1-CB 3.91Å; T120-A124 PolarHBondContact O-N 3.49Å; T120-A124 VanDerWaalsContact O-N 3.09Å; G121-A124 WeakPolarHBondContact O-CB 3.2Å; G121-A124 PolarHBondContact O-N 2.73Å; A124-M127 PolarHBondContact O-N 2.91Å; A124-L128 WeakPolarHBondContact O-CB 3.44Å; A124-L128 WeakPolarHBondContact O-CG 3.42Å; A124-L128 PolarHBondContact O-N 3.15Å; A124-L138 HydrophobicContact CB-CD1 3.88Å; A124-L138 HydrophobicContact CB-CD2 4.24Å; A124-L138 HydrophobicContact CB-CG 4.49Å
125	E	95.4	Very high	89.2	Confident	74 Å²	74	58.2 Å²	58.2	35%	0.346	30%	0.298	S	S	.	.	H	α-helix	trans	-56.1	-52.6	173.9	-77.1	170.3	-177.4	0	0	111.1	G121 E123 M127 L128 L129 V159 H161	G121-E125 WeakPolarHBondContact O-CG 3.37Å; G121-E125 PolarHBondContact O-N 2.78Å; E123-E125 VanDerWaalsContact C-N 3.34Å; E123-E125 PolarHBondContact O-N 3.5Å; E125-M127 PolarHBondContact O-N 2.92Å; E125-L128 PolarHBondContact O-N 3.3Å; E125-L129 HydrophobicContact CB-CD1 4.48Å; E125-L129 VanDerWaalsContact O-CB 3.28Å; E125-L129 WeakPolarHBondContact O-CB 3.3Å; E125-L129 WeakPolarHBondContact O-CD1 3.3Å; E125-L129 WeakPolarHBondContact O-CG 3.22Å; E125-L129 PolarHBondContact O-N 3.23Å; E125-V159 HydrophobicContact CG-CB 3.96Å; E125-V159 HydrophobicContact CG-CG1 4.23Å; E125-V159 HydrophobicContact CG-CG2 4.36Å; E125-H161 WeakPolarHBondContact CG-NE2 3.49Å; E125-H161 IonicContact OE1-CD2 3.31Å; E125-H161 IonicContact OE1-NE2 2.58Å; E125-H161 PolarHBondContact OE1-NE2 3.02Å; E125-H161 VanDerWaalsContact OE1-NE2 3.17Å
126	K	91.5	Very high	89.2	Confident	124 Å²	124	57.7 Å²	57.7	54%	0.539	30%	0.296	S	S	.	.	H	α-helix	trans	-56	-49.9	179.2	-178	-176.1	172.4	-171.7	0	111.3	K122 E123 L128 L129 E130	K122-K126 WeakPolarHBondContact O-CB 3.19Å; K122-K126 PolarHBondContact O-N 2.9Å; E123-K126 PolarHBondContact O-N 2.74Å; K126-L128 PolarHBondContact O-N 3.06Å; K126-L129 PolarHBondContact O-N 2.92Å; K126-E130 WeakPolarHBondContact CE-OE1 3.36Å; K126-E130 HydrophobicContact CG-CG 4.35Å; K126-E130 IonicContact NZ-OE1 3.65Å; K126-E130 VanDerWaalsContact O-CB 3.31Å; K126-E130 WeakPolarHBondContact O-CB 3.28Å; K126-E130 VanDerWaalsContact O-CG 3.26Å; K126-E130 WeakPolarHBondContact O-CG 3.45Å; K126-E130 PolarHBondContact O-N 2.86Å
127	M	90.5	Very high	89.5	Confident	53 Å²	53	57.1 Å²	57.1	26%	0.261	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-45	-178	-68.2	167.8	67.8	0	0	112.4	H116 I119 E123 A124 E125 R131 F209	H116-M127 WeakPolarHBondContact ND1-CE 2.98Å; I119-M127 HydrophobicContact CD1-SD 4.17Å; E123-M127 VanDerWaalsContact O-CG 3.24Å; E123-M127 WeakPolarHBondContact O-CG 3.36Å; E123-M127 PolarHBondContact O-N 2.9Å; A124-M127 PolarHBondContact O-N 2.91Å; E125-M127 PolarHBondContact O-N 2.92Å; M127-R131 PolarHBondContact O-N 3.3Å; M127-R131 VanDerWaalsContact O-N 3.17Å; M127-F209 HydrophobicContact CB-CE1 4.38Å; M127-F209 HydrophobicContact CB-CZ 4.29Å; M127-F209 HydrophobicContact CE-CD1 4.09Å; M127-F209 HydrophobicContact CE-CE1 3.43Å; M127-F209 VanDerWaalsContact CE-CE1 3.43Å; M127-F209 HydrophobicContact CE-CZ 4.21Å
128	L	93.9	Very high	90.1	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-69.3	-41.7	179.9	-71.3	173.1	0	0	0	112	A124 E125 K126 R131 G132 C136 L138 L154 V159 F209	A124-L128 WeakPolarHBondContact O-CB 3.44Å; A124-L128 WeakPolarHBondContact O-CG 3.42Å; A124-L128 PolarHBondContact O-N 3.15Å; E125-L128 PolarHBondContact O-N 3.3Å; K126-L128 PolarHBondContact O-N 3.06Å; L128-R131 WeakPolarHBondContact O-CB 3.5Å; L128-R131 PolarHBondContact O-N 3.17Å; L128-G132 PolarHBondContact O-N 3.06Å; L128-G132 VanDerWaalsContact O-N 3.11Å; L128-C136 HydrophobicContact CD2-CB 4.24Å; L128-L138 HydrophobicContact CD1-CD2 4.38Å; L128-L138 HydrophobicContact CD1-CG 4.31Å; L128-L138 HydrophobicContact CD2-CD2 4.24Å; L128-L138 HydrophobicContact CG-CD2 4.07Å; L128-L138 HydrophobicContact CG-CG 4.47Å; L128-L154 HydrophobicContact CB-CB 4.38Å; L128-V159 HydrophobicContact CB-CG2 4.07Å; L128-V159 HydrophobicContact CD1-CG1 3.76Å; L128-V159 HydrophobicContact CD1-CG2 4.26Å; L128-F209 HydrophobicContact CD2-CB 4.03Å; L128-F209 HydrophobicContact CD2-CD2 4.37Å; L128-F209 HydrophobicContact CD2-CG 4.33Å
129	L	92.3	Very high	90.9	Very high	87 Å²	87	53.6 Å²	53.6	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-67.1	-42	177.9	-71.4	167.3	0	0	0	112.1	E125 K126 R131 G132 L154 V159	E125-L129 HydrophobicContact CB-CD1 4.48Å; E125-L129 VanDerWaalsContact O-CB 3.28Å; E125-L129 WeakPolarHBondContact O-CB 3.3Å; E125-L129 WeakPolarHBondContact O-CD1 3.3Å; E125-L129 WeakPolarHBondContact O-CG 3.22Å; E125-L129 PolarHBondContact O-N 3.23Å; K126-L129 PolarHBondContact O-N 2.92Å; L129-R131 VanDerWaalsContact C-N 3.25Å; L129-R131 PolarHBondContact O-N 3.16Å; L129-G132 WeakPolarHBondContact O-CA 3.4Å; L129-G132 PolarHBondContact O-N 3.24Å; L129-G132 VanDerWaalsContact O-N 3.08Å; L129-L154 HydrophobicContact CD2-CD1 3.66Å; L129-L154 HydrophobicContact CG-CD1 4.35Å; L129-V159 HydrophobicContact CD2-CG2 4.49Å; L129-V159 HydrophobicContact CG-CG2 4.18Å
130	E	86.8	Confident	91.3	Very high	133 Å²	133	53.5 Å²	53.5	62%	0.621	28%	0.275	S	S	*	.	H	α-helix	trans	-62.9	-32.8	175.4	-76.1	175.2	168.3	0	0	112	K126	K126-E130 WeakPolarHBondContact CE-OE1 3.36Å; K126-E130 HydrophobicContact CG-CG 4.35Å; K126-E130 IonicContact NZ-OE1 3.65Å; K126-E130 VanDerWaalsContact O-CB 3.31Å; K126-E130 WeakPolarHBondContact O-CB 3.28Å; K126-E130 VanDerWaalsContact O-CG 3.26Å; K126-E130 WeakPolarHBondContact O-CG 3.45Å; K126-E130 PolarHBondContact O-N 2.86Å
131	R	84.9	Confident	91.3	Very high	57 Å²	57	52.3 Å²	52.3	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-68.9	-35.3	172.7	-168.3	53.1	163.5	159.1	-14.3	112.4	M127 L128 L129 K133 F209 E245	M127-R131 PolarHBondContact O-N 3.3Å; M127-R131 VanDerWaalsContact O-N 3.17Å; L128-R131 WeakPolarHBondContact O-CB 3.5Å; L128-R131 PolarHBondContact O-N 3.17Å; L129-R131 VanDerWaalsContact C-N 3.25Å; L129-R131 PolarHBondContact O-N 3.16Å; R131-K133 HydrophobicContact CG-CB 4.32Å; R131-K133 HydrophobicContact CG-CD 4.32Å; R131-K133 HydrophobicContact CG-CG 4.17Å; R131-K133 PolarHBondContact O-N 2.8Å; R131-K133 VanDerWaalsContact O-N 3.13Å; R131-F209 HydrophobicContact CB-CD2 4.11Å; R131-F209 HydrophobicContact CB-CE2 3.81Å; R131-F209 HydrophobicContact CG-CD2 4.01Å; R131-F209 HydrophobicContact CG-CE2 3.94Å; R131-E245 IonicContact CZ-OE1 3.46Å; R131-E245 IonicContact NH2-OE1 2.68Å; R131-E245 PolarHBondContact NH2-OE1 3.11Å
132	G	84.2	Confident	91.1	Very high	52 Å²	52	51.9 Å²	51.9	54%	0.536	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	19.5	174.2	0	0	0	0	0	115.3	L128 L129	L128-G132 PolarHBondContact O-N 3.06Å; L128-G132 VanDerWaalsContact O-N 3.11Å; L129-G132 WeakPolarHBondContact O-CA 3.4Å; L129-G132 PolarHBondContact O-N 3.24Å; L129-G132 VanDerWaalsContact O-N 3.08Å
133	K	85.6	Confident	90.7	Very high	71 Å²	71	48.1 Å²	48.1	31%	0.309	25%	0.25	S	S	.	.			trans	-99.7	113.2	178.9	-68.9	-172.3	-176.8	178.8	0	109.9	R131 C136 L154	R131-K133 HydrophobicContact CG-CB 4.32Å; R131-K133 HydrophobicContact CG-CD 4.32Å; R131-K133 HydrophobicContact CG-CG 4.17Å; R131-K133 PolarHBondContact O-N 2.8Å; R131-K133 VanDerWaalsContact O-N 3.13Å; K133-C136 HydrophobicContact CB-CB 4.25Å; K133-C136 WeakPolarHBondContact O-CB 3.28Å; K133-C136 PolarHBondContact O-N 2.84Å; K133-L154 WeakPolarHBondContact O-CD2 3.36Å
134	P	87.1	Confident	90.1	Very high	83 Å²	83	51.9 Å²	51.9	54%	0.539	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	149.4	177.4	-25.4	34.3	0	0	0	112.1	C136	P134-C136 PolarHBondContact O-N 2.98Å
135	D	90.7	Very high	89.5	Confident	26 Å²	26	58.4 Å²	58.4	14%	0.139	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	13.7	-179.8	-50.2	-38.2	0	0	0	114	L154 S204 K206 Q207	D135-L154 PolarHBondContact N-O 3.11Å; D135-S204 WeakPolarHBondContact CB-O 3.33Å; D135-K206 HydrophobicContact CB-CB 3.72Å; D135-K206 HydrophobicContact CB-CD 3.96Å; D135-K206 HydrophobicContact CB-CG 3.74Å; D135-K206 PolarHBondContact O-N 3.29Å; D135-K206 VanDerWaalsContact OD2-CD 3.24Å; D135-K206 WeakPolarHBondContact OD2-CD 3.15Å; D135-K206 WeakPolarHBondContact OD2-CE 3.32Å; D135-K206 IonicContact OD2-NZ 2.92Å; D135-K206 PolarHBondContact OD2-NZ 3.38Å; D135-Q207 PolarHBondContact O-N 3.23Å
136	C	94	Very high	88.5	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.014	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	136.5	172.2	-166.7	0	0	0	0	109.9	L128 K133 P134 L154 Q207	L128-C136 HydrophobicContact CD2-CB 4.24Å; K133-C136 HydrophobicContact CB-CB 4.25Å; K133-C136 WeakPolarHBondContact O-CB 3.28Å; K133-C136 PolarHBondContact O-N 2.84Å; P134-C136 PolarHBondContact O-N 2.98Å; C136-L154 PolarHBondContact O-N 3.43Å; C136-Q207 CarbonylContact C-O 3.51Å; C136-Q207 WeakPolarHBondContact CA-O 3.3Å
137	F	96.3	Very high	87.7	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157	-172.9	73.1	-88.7	0	0	0	113.7	W114 L151 S152 V153 I187 L205 Q207 P208 F209	W114-F137 HydrophobicContact CB-CD2 4.49Å; W114-F137 HydrophobicContact CB-CE2 3.9Å; W114-F137 HydrophobicContact CD2-CE2 4.43Å; W114-F137 AromaticContact CG-CE2 3.94Å; W114-F137 HydrophobicContact CG-CE2 3.94Å; F137-L151 HydrophobicContact CB-CD1 4.08Å; F137-L151 HydrophobicContact CD2-CD1 3.83Å; F137-L151 HydrophobicContact CG-CD1 4.3Å; F137-S152 CarbonylContact C-O 3.57Å; F137-S152 VanDerWaalsContact CA-O 3.22Å; F137-S152 WeakPolarHBondContact CA-O 3.25Å; F137-V153 HydrophobicContact CB-CB 4.38Å; F137-V153 HydrophobicContact CB-CG1 4.22Å; F137-V153 HydrophobicContact CB-CG2 4.01Å; F137-I187 HydrophobicContact CE2-CG2 3.71Å; F137-I187 HydrophobicContact CZ-CG2 3.87Å; F137-L205 HydrophobicContact CB-CD2 3.99Å; F137-L205 HydrophobicContact CD1-CB 3.76Å; F137-L205 HydrophobicContact CD1-CD2 4.3Å; F137-L205 HydrophobicContact CE1-CB 3.87Å; F137-L205 HydrophobicContact CG-CB 4.32Å; F137-L205 HydrophobicContact CG-CD2 4.1Å; F137-Q207 WeakPolarHBondContact CD1-O 3.05Å; F137-Q207 PolarHBondContact N-O 3.18Å; F137-P208 HydrophobicContact CE1-CB 4.15Å; F137-P208 HydrophobicContact CE2-CB 4.33Å; F137-P208 HydrophobicContact CZ-CB 3.85Å; F137-F209 WeakPolarHBondContact O-CB 3.38Å; F137-F209 PolarHBondContact O-N 3.01Å
138	L	97	Very high	87.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	160.1	168.2	62.3	82.3	0	0	0	111	W114 I119 A124 L128 R140 S152 F209	W114-L138 WeakPolarHBondContact O-CA 3.27Å; I119-L138 HydrophobicContact CD1-CD1 3.94Å; I119-L138 HydrophobicContact CD1-CD2 4.27Å; A124-L138 HydrophobicContact CB-CD1 3.88Å; A124-L138 HydrophobicContact CB-CD2 4.24Å; A124-L138 HydrophobicContact CB-CG 4.49Å; L128-L138 HydrophobicContact CD1-CD2 4.38Å; L128-L138 HydrophobicContact CD1-CG 4.31Å; L128-L138 HydrophobicContact CD2-CD2 4.24Å; L128-L138 HydrophobicContact CG-CD2 4.07Å; L128-L138 HydrophobicContact CG-CG 4.47Å; L138-R140 HydrophobicContact CD1-CB 4.32Å; L138-R140 HydrophobicContact CD1-CG 4.43Å; L138-S152 PolarHBondContact N-O 2.96Å; L138-S152 PolarHBondContact O-N 3.47Å; L138-F209 HydrophobicContact CB-CB 4.3Å; L138-F209 HydrophobicContact CD2-CD1 4.35Å
139	V	96.9	Very high	87.6	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.5	172.4	-177.7	0	0	0	0	109.6	W114 F115 H116 V150 L151 I164 I187	W114-V139 HydrophobicContact CD2-CG2 4.39Å; W114-V139 HydrophobicContact CE3-CB 3.5Å; W114-V139 HydrophobicContact CE3-CG2 3.31Å; W114-V139 HydrophobicContact CH2-CG2 4.47Å; W114-V139 HydrophobicContact CZ3-CB 3.51Å; W114-V139 HydrophobicContact CZ3-CG1 4.03Å; W114-V139 HydrophobicContact CZ3-CG2 3.38Å; W114-V139 PolarHBondContact O-N 3.14Å; F115-V139 CarbonylContact C-O 3.51Å; F115-V139 WeakPolarHBondContact CA-O 3.3Å; F115-V139 HydrophobicContact CD2-CB 4.26Å; F115-V139 HydrophobicContact CD2-CG1 4.04Å; F115-V139 HydrophobicContact CE2-CG1 4.44Å; H116-V139 PolarHBondContact N-O 3.39Å; V139-V150 WeakPolarHBondContact CA-O 3.46Å; V139-L151 HydrophobicContact CG2-CD1 3.95Å; V139-I164 HydrophobicContact CG1-CD1 4.01Å; V139-I164 HydrophobicContact CG2-CD1 4.5Å; V139-I187 HydrophobicContact CG2-CD1 3.75Å; V139-I187 HydrophobicContact CG2-CG1 4.16Å
140	R	94	Very high	87.8	Confident	19 Å²	19	50 Å²	50	7%	0.072	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.8	-179.8	62.1	-173.5	-177.6	78.8	-0.6	111	G117 I119 G121 L138 Y149 V150 S152	G117-R140 CarbonylContact O-C 3.56Å; G117-R140 WeakPolarHBondContact O-CA 3.17Å; G117-R140 WeakPolarHBondContact O-CB 3.49Å; I119-R140 HydrophobicContact CD1-CB 4.36Å; I119-R140 HydrophobicContact CG1-CB 3.61Å; I119-R140 HydrophobicContact CG1-CG 4.33Å; I119-R140 WeakPolarHBondContact O-CD 3.41Å; I119-R140 PolarHBondContact O-NH1 3.24Å; G121-R140 VanDerWaalsContact CA-CZ 3.49Å; G121-R140 VanDerWaalsContact CA-NH2 3.3Å; L138-R140 HydrophobicContact CD1-CB 4.32Å; L138-R140 HydrophobicContact CD1-CG 4.43Å; R140-Y149 CarbonylContact O-C 3.59Å; R140-Y149 VanDerWaalsContact O-CA 3.27Å; R140-Y149 WeakPolarHBondContact O-CA 3.19Å; R140-Y149 WeakPolarHBondContact O-CB 3.35Å; R140-V150 HydrophobicContact CG-CB 3.99Å; R140-V150 PolarHBondContact N-O 3.2Å; R140-V150 PolarHBondContact O-N 3.1Å; R140-S152 PolarHBondContact NE-OG 3.32Å
141	E	89.8	Confident	88.2	Confident	32 Å²	32	43.7 Å²	43.7	15%	0.15	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	144.2	168.2	-72.3	-176.8	-139.5	0	0	111	F115 G117 K118 V143 Y149	F115-E141 HydrophobicContact CZ-CG 4Å; G117-E141 PolarHBondContact O-N 3.38Å; K118-E141 WeakPolarHBondContact CE-OE2 3.29Å; K118-E141 HydrophobicContact CG-CB 4.11Å; K118-E141 VanDerWaalsContact CG-CD 3.48Å; K118-E141 HydrophobicContact CG-CG 4.28Å; K118-E141 VanDerWaalsContact CG-OE2 3.27Å; K118-E141 WeakPolarHBondContact CG-OE2 3.43Å; E141-V143 PolarHBondContact O-N 3.28Å; E141-Y149 HydrophobicContact CG-CD1 3.99Å; E141-Y149 HydrophobicContact CG-CE1 3.79Å
142	S	87.9	Confident	88.8	Confident	8 Å²	8	41 Å²	41	6%	0.056	23%	0.227	C	C	.	.			trans	-77.9	114.7	173.9	-177.1	0	0	0	0	110.4	H144 R145 S148	S142-H144 PolarHBondContact O-N 3.36Å; S142-R145 WeakPolarHBondContact CB-O 3.49Å; S142-R145 CarbonylContact O-C 3.58Å; S142-R145 PolarHBondContact OG-N 3.36Å; S142-S148 WeakPolarHBondContact CB-O 3.33Å; S142-S148 PolarHBondContact N-O 2.76Å
143	V	81.1	Confident	89.4	Confident	88 Å²	88	38.5 Å²	38.5	53%	0.533	20%	0.202	S	C	.	.	S	Bend	trans	-61.2	-33.2	174.6	-178.3	0	0	0	0	111.9	E141	E141-V143 PolarHBondContact O-N 3.28Å
144	H	79.4	Confident	89.8	Confident	174 Å²	174	35.4 Å²	35.4	81%	0.806	19%	0.188	S	C	*	.	S	Bend	trans	-93.8	-17.2	-174.4	-59.9	96.7	0	0	0	113.9	S142	S142-H144 PolarHBondContact O-N 3.36Å
145	R	80.2	Confident	89.9	Confident	137 Å²	137	33 Å²	33	52%	0.517	17%	0.172	S	C	.	.	S	Bend	trans	-136.1	85.8	-180	-72.9	-173.1	-177.9	164.2	0.3	109.8	S142 G147 S148	S142-R145 WeakPolarHBondContact CB-O 3.49Å; S142-R145 CarbonylContact O-C 3.58Å; S142-R145 PolarHBondContact OG-N 3.36Å; R145-G147 PolarHBondContact O-N 3.1Å; R145-S148 VanDerWaalsContact O-CB 3.31Å; R145-S148 WeakPolarHBondContact O-CB 3.44Å; R145-S148 PolarHBondContact O-N 3.25Å
146	P	74	Confident	89.5	Confident	95 Å²	95	34.2 Å²	34.2	62%	0.617	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	135.8	176.2	-27.3	35.2	0	0	0	112.1	S148	P146-S148 VanDerWaalsContact C-N 3.27Å; P146-S148 PolarHBondContact O-N 2.75Å
147	G	74.8	Confident	89.1	Confident	21 Å²	21	42.9 Å²	42.9	22%	0.216	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-8.1	-173.8	0	0	0	0	0	115.6	R145	R145-G147 PolarHBondContact O-N 3.1Å
148	S	87.9	Confident	88.8	Confident	15 Å²	15	49.8 Å²	49.8	11%	0.105	26%	0.264	C	S	.	.			trans	-99.6	161	167.4	-57	0	0	0	0	111	S142 R145 P146 I164	S142-S148 WeakPolarHBondContact CB-O 3.33Å; S142-S148 PolarHBondContact N-O 2.76Å; R145-S148 VanDerWaalsContact O-CB 3.31Å; R145-S148 WeakPolarHBondContact O-CB 3.44Å; R145-S148 PolarHBondContact O-N 3.25Å; P146-S148 VanDerWaalsContact C-N 3.27Å; P146-S148 PolarHBondContact O-N 2.75Å; S148-I164 WeakPolarHBondContact CB-O 3.35Å
149	Y	94.4	Very high	88.6	Confident	27 Å²	27	50.8 Å²	50.8	11%	0.106	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	170.8	179.5	-53.8	-84.7	0	0	0	110.7	P109 F115 R140 E141 M163 I164 Y172 L183	P109-Y149 HydrophobicContact CB-CE1 4.41Å; P109-Y149 WeakPolarHBondContact CB-OH 3.45Å; P109-Y149 HydrophobicContact CG-CE1 3.61Å; P109-Y149 WeakPolarHBondContact CG-OH 3.28Å; F115-Y149 AromaticContact CE2-CD1 3.73Å; F115-Y149 HydrophobicContact CE2-CD1 3.73Å; F115-Y149 AromaticContact CE2-CE1 3.89Å; F115-Y149 HydrophobicContact CE2-CE1 3.89Å; F115-Y149 HydrophobicContact CZ-CD1 4.29Å; F115-Y149 HydrophobicContact CZ-CE1 4.03Å; R140-Y149 CarbonylContact O-C 3.59Å; R140-Y149 VanDerWaalsContact O-CA 3.27Å; R140-Y149 WeakPolarHBondContact O-CA 3.19Å; R140-Y149 WeakPolarHBondContact O-CB 3.35Å; E141-Y149 HydrophobicContact CG-CD1 3.99Å; E141-Y149 HydrophobicContact CG-CE1 3.79Å; Y149-M163 VanDerWaalsContact O-SD 3.36Å; Y149-I164 PolarHBondContact N-O 2.76Å; Y149-I164 PolarHBondContact O-N 2.86Å; Y149-Y172 HydrophobicContact CD2-CD1 4.36Å; Y149-Y172 HydrophobicContact CD2-CE1 4.09Å; Y149-Y172 HydrophobicContact CE2-CD1 4.35Å; Y149-Y172 AromaticContact CE2-CE1 3.63Å; Y149-Y172 HydrophobicContact CE2-CE1 3.63Å; Y149-L183 HydrophobicContact CD1-CD1 4.22Å; Y149-L183 HydrophobicContact CD2-CD1 4.06Å; Y149-L183 HydrophobicContact CD2-CD2 3.93Å; Y149-L183 HydrophobicContact CD2-CG 4.47Å; Y149-L183 HydrophobicContact CE1-CD1 4.34Å; Y149-L183 HydrophobicContact CE2-CD1 4.19Å; Y149-L183 HydrophobicContact CE2-CD2 4.49Å; Y149-L183 HydrophobicContact CG-CD1 4.07Å; Y149-L183 HydrophobicContact CG-CD2 4.35Å
150	V	96.3	Very high	88.4	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.03	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	122.4	177.7	-174.1	0	0	0	0	109	V139 R140 H161 I162 M163	V139-V150 WeakPolarHBondContact CA-O 3.46Å; R140-V150 HydrophobicContact CG-CB 3.99Å; R140-V150 PolarHBondContact N-O 3.2Å; R140-V150 PolarHBondContact O-N 3.1Å; V150-H161 HydrophobicContact CG1-CB 3.9Å; V150-I162 CarbonylContact C-O 3.58Å; V150-I162 VanDerWaalsContact CA-O 3.31Å; V150-I162 WeakPolarHBondContact CA-O 3.22Å; V150-M163 HydrophobicContact CG2-CE 4.14Å; V150-M163 HydrophobicContact CG2-SD 4.14Å
151	L	96.4	Very high	88.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.3	166.4	170.6	61.9	0	0	0	108.4	F137 V139 V153 I162 I164 I187 L205	F137-L151 HydrophobicContact CB-CD1 4.08Å; F137-L151 HydrophobicContact CD2-CD1 3.83Å; F137-L151 HydrophobicContact CG-CD1 4.3Å; V139-L151 HydrophobicContact CG2-CD1 3.95Å; L151-V153 HydrophobicContact CD1-CG2 3.93Å; L151-V153 HydrophobicContact CD2-CG2 4.27Å; L151-V153 HydrophobicContact CG-CG2 3.73Å; L151-I162 HydrophobicContact CB-CB 4.23Å; L151-I162 HydrophobicContact CD2-CD1 4.27Å; L151-I162 PolarHBondContact N-O 2.8Å; L151-I162 PolarHBondContact O-N 2.95Å; L151-I164 HydrophobicContact CB-CD1 3.94Å; L151-I164 HydrophobicContact CB-CG1 4.39Å; L151-I187 HydrophobicContact CD1-CD1 3.93Å; L151-I187 HydrophobicContact CD2-CD1 4.18Å; L151-L205 HydrophobicContact CD1-CD1 4.42Å; L151-L205 HydrophobicContact CD1-CD2 4.18Å; L151-L205 HydrophobicContact CD2-CD1 3.88Å; L151-L205 HydrophobicContact CD2-CD2 4.04Å; L151-L205 HydrophobicContact CG-CD2 4.45Å
152	S	97	Very high	88.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.8	178.7	-50.8	0	0	0	0	108.8	F137 L138 R140 A160 H161	F137-S152 CarbonylContact C-O 3.57Å; F137-S152 VanDerWaalsContact CA-O 3.22Å; F137-S152 WeakPolarHBondContact CA-O 3.25Å; L138-S152 PolarHBondContact N-O 2.96Å; L138-S152 PolarHBondContact O-N 3.47Å; R140-S152 PolarHBondContact NE-OG 3.32Å; S152-A160 CarbonylContact C-O 3.53Å; S152-A160 VanDerWaalsContact CA-O 3.3Å; S152-A160 WeakPolarHBondContact CA-O 3.44Å; S152-H161 WeakPolarHBondContact CB-ND1 3.44Å; S152-H161 PolarHBondContact OG-CE1 2.86Å; S152-H161 PolarHBondContact OG-ND1 3.27Å
153	V	95.7	Very high	88.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.9	-170.9	-168.4	0	0	0	0	110	F137 L151 T155 V159 A160 I162 V203 L205	F137-V153 HydrophobicContact CB-CB 4.38Å; F137-V153 HydrophobicContact CB-CG1 4.22Å; F137-V153 HydrophobicContact CB-CG2 4.01Å; L151-V153 HydrophobicContact CD1-CG2 3.93Å; L151-V153 HydrophobicContact CD2-CG2 4.27Å; L151-V153 HydrophobicContact CG-CG2 3.73Å; V153-T155 HydrophobicContact CB-CG2 4.49Å; V153-T155 HydrophobicContact CG1-CG2 4.34Å; V153-T155 PolarHBondContact O-N 3.37Å; V153-V159 CarbonylContact O-C 3.59Å; V153-V159 VanDerWaalsContact O-CA 3.28Å; V153-V159 WeakPolarHBondContact O-CA 3.47Å; V153-A160 PolarHBondContact N-O 3.19Å; V153-A160 PolarHBondContact O-N 2.95Å; V153-I162 HydrophobicContact CG2-CD1 4.47Å; V153-V203 HydrophobicContact CB-CG1 3.86Å; V153-V203 HydrophobicContact CG1-CG1 3.77Å; V153-V203 HydrophobicContact CG2-CG1 3.87Å; V153-L205 HydrophobicContact CB-CD2 4.33Å; V153-L205 HydrophobicContact CG1-CD2 3.9Å; V153-L205 HydrophobicContact CG2-CD2 3.43Å; V153-L205 VanDerWaalsContact CG2-CD2 3.43Å
154	L	94.4	Very high	89.5	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	104.3	172.3	-172.9	66.7	0	0	0	110.4	L128 L129 K133 D135 C136 V159	L128-L154 HydrophobicContact CB-CB 4.38Å; L129-L154 HydrophobicContact CD2-CD1 3.66Å; L129-L154 HydrophobicContact CG-CD1 4.35Å; K133-L154 WeakPolarHBondContact O-CD2 3.36Å; D135-L154 PolarHBondContact N-O 3.11Å; C136-L154 PolarHBondContact O-N 3.43Å; L154-V159 HydrophobicContact CD1-CG2 3.79Å
155	T	89.3	Confident	90	Very high	32 Å²	32	45.6 Å²	45.6	20%	0.196	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	96.3	177.5	53	0	0	0	0	109.5	V153 E157 Q158 A160 V203	V153-T155 HydrophobicContact CB-CG2 4.49Å; V153-T155 HydrophobicContact CG1-CG2 4.34Å; V153-T155 PolarHBondContact O-N 3.37Å; T155-E157 PolarHBondContact O-N 3.45Å; T155-Q158 CarbonylContact C-O 3.51Å; T155-Q158 PolarHBondContact N-O 3.03Å; T155-Q158 PolarHBondContact O-N 3.48Å; T155-Q158 PolarHBondContact OG1-O 3.45Å; T155-A160 HydrophobicContact CG2-CB 4.03Å; T155-V203 HydrophobicContact CG2-CB 4.24Å; T155-V203 HydrophobicContact CG2-CG1 3.91Å; T155-V203 HydrophobicContact CG2-CG2 3.87Å
156	G	82.9	Confident	90.2	Very high	53 Å²	53	40.8 Å²	40.8	55%	0.546	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	-113.2	-173.8	0	0	0	0	0	111.4
157	E	84.9	Confident	90.6	Very high	183 Å²	183	39.3 Å²	39.3	86%	0.855	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-0.3	179.9	-62.4	-174.3	172.3	0	0	113.5	T155	T155-E157 PolarHBondContact O-N 3.45Å
158	Q	89.9	Confident	90.5	Very high	152 Å²	152	45.2 Å²	45.2	71%	0.71	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	158.8	-177.9	-63	-176.2	12.6	0	0	110.7	T155	T155-Q158 CarbonylContact C-O 3.51Å; T155-Q158 PolarHBondContact N-O 3.03Å; T155-Q158 PolarHBondContact O-N 3.48Å; T155-Q158 PolarHBondContact OG1-O 3.45Å
159	V	93.4	Very high	90.1	Very high	20 Å²	20	49.3 Å²	49.3	12%	0.121	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.2	175.6	176.8	0	0	0	0	109.2	E125 L128 L129 V153 L154	E125-V159 HydrophobicContact CG-CB 3.96Å; E125-V159 HydrophobicContact CG-CG1 4.23Å; E125-V159 HydrophobicContact CG-CG2 4.36Å; L128-V159 HydrophobicContact CB-CG2 4.07Å; L128-V159 HydrophobicContact CD1-CG1 3.76Å; L128-V159 HydrophobicContact CD1-CG2 4.26Å; L129-V159 HydrophobicContact CD2-CG2 4.49Å; L129-V159 HydrophobicContact CG-CG2 4.18Å; V153-V159 CarbonylContact O-C 3.59Å; V153-V159 VanDerWaalsContact O-CA 3.28Å; V153-V159 WeakPolarHBondContact O-CA 3.47Å; L154-V159 HydrophobicContact CD1-CG2 3.79Å
160	A	92.7	Very high	89.3	Confident	10 Å²	10	50.4 Å²	50.4	8%	0.083	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.5	171.9	0	0	0	0	0	109.7	S152 V153 T155	S152-A160 CarbonylContact C-O 3.53Å; S152-A160 VanDerWaalsContact CA-O 3.3Å; S152-A160 WeakPolarHBondContact CA-O 3.44Å; V153-A160 PolarHBondContact N-O 3.19Å; V153-A160 PolarHBondContact O-N 2.95Å; T155-A160 HydrophobicContact CG2-CB 4.03Å
161	H	93.7	Very high	89	Confident	69 Å²	69	52.7 Å²	52.7	32%	0.319	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109.7	175.5	-67.3	-65.1	0	0	0	110.8	E125 V150 S152	E125-H161 WeakPolarHBondContact CG-NE2 3.49Å; E125-H161 IonicContact OE1-CD2 3.31Å; E125-H161 IonicContact OE1-NE2 2.58Å; E125-H161 PolarHBondContact OE1-NE2 3.02Å; E125-H161 VanDerWaalsContact OE1-NE2 3.17Å; V150-H161 HydrophobicContact CG1-CB 3.9Å; S152-H161 WeakPolarHBondContact CB-ND1 3.44Å; S152-H161 PolarHBondContact OG-CE1 2.86Å; S152-H161 PolarHBondContact OG-ND1 3.27Å
162	I	93.4	Very high	88.8	Confident	28 Å²	28	54.6 Å²	54.6	14%	0.144	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.7	-174.6	-60.7	161.9	0	0	0	108.7	V150 L151 V153 V174 M195 V203	V150-I162 CarbonylContact C-O 3.58Å; V150-I162 VanDerWaalsContact CA-O 3.31Å; V150-I162 WeakPolarHBondContact CA-O 3.22Å; L151-I162 HydrophobicContact CB-CB 4.23Å; L151-I162 HydrophobicContact CD2-CD1 4.27Å; L151-I162 PolarHBondContact N-O 2.8Å; L151-I162 PolarHBondContact O-N 2.95Å; V153-I162 HydrophobicContact CG2-CD1 4.47Å; I162-V174 HydrophobicContact CG2-CB 4.05Å; I162-V174 HydrophobicContact CG2-CG1 3.99Å; I162-M195 HydrophobicContact CD1-CE 4.18Å; I162-M195 HydrophobicContact CD1-SD 3.83Å; I162-M195 HydrophobicContact CG2-CE 3.82Å; I162-M195 HydrophobicContact CG2-SD 4.4Å; I162-V203 HydrophobicContact CD1-CG1 4.06Å
163	M	93.6	Very high	88.6	Confident	56 Å²	56	55 Å²	55	28%	0.276	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131.7	178.6	-170.9	66.6	58.5	0	0	110.4	Y149 V150 H165 V174	Y149-M163 VanDerWaalsContact O-SD 3.36Å; V150-M163 HydrophobicContact CG2-CE 4.14Å; V150-M163 HydrophobicContact CG2-SD 4.14Å; M163-H165 WeakPolarHBondContact CG-CE1 3.36Å; M163-V174 WeakPolarHBondContact O-CA 3.48Å
164	I	94.9	Very high	88.3	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.8	168.8	-59.8	160.4	0	0	0	107.5	V139 S148 Y149 L151 Y172 D173 V174 L183 L186	V139-I164 HydrophobicContact CG1-CD1 4.01Å; V139-I164 HydrophobicContact CG2-CD1 4.5Å; S148-I164 WeakPolarHBondContact CB-O 3.35Å; Y149-I164 PolarHBondContact N-O 2.76Å; Y149-I164 PolarHBondContact O-N 2.86Å; L151-I164 HydrophobicContact CB-CD1 3.94Å; L151-I164 HydrophobicContact CB-CG1 4.39Å; I164-Y172 HydrophobicContact CG2-CD1 4.34Å; I164-D173 CarbonylContact C-O 3.55Å; I164-D173 VanDerWaalsContact CA-O 3.29Å; I164-D173 WeakPolarHBondContact CA-O 3.44Å; I164-V174 HydrophobicContact CG1-CG1 3.78Å; I164-L183 HydrophobicContact CD1-CD2 4.33Å; I164-L183 HydrophobicContact CG2-CD2 3.78Å; I164-L186 HydrophobicContact CD1-CD2 4.29Å; I164-L186 HydrophobicContact CG1-CD2 4.39Å; I164-L186 HydrophobicContact CG2-CD1 3.78Å
165	H	90.5	Very high	87.8	Confident	50 Å²	50	57.4 Å²	57.4	23%	0.231	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.6	-178.5	-57.2	-72.8	0	0	0	110.9	M163 Y172 D173	M163-H165 WeakPolarHBondContact CG-CE1 3.36Å; H165-Y172 WeakPolarHBondContact O-CA 3.32Å; H165-D173 WeakPolarHBondContact CB-OD1 3.47Å; H165-D173 IonicContact CD2-OD1 3.82Å; H165-D173 IonicContact CG-OD1 3.74Å; H165-D173 PolarHBondContact N-O 3.21Å; H165-D173 PolarHBondContact O-N 3.38Å; H165-D173 VanDerWaalsContact O-N 3.11Å
166	G	84	Confident	87.2	Confident	35 Å²	35	59.8 Å²	59.8	36%	0.361	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	124.4	160.3	0	0	0	0	0	109.8
167	K	81.8	Confident	87	Confident	65 Å²	65	60.1 Å²	60.1	28%	0.283	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-92.7	156.6	179.3	-62.6	-60.1	-176.6	-172.2	0	110.9	N169 G170 M171 D173	K167-N169 WeakPolarHBondContact CB-OD1 3.29Å; K167-N169 PolarHBondContact O-N 2.97Å; K167-N169 VanDerWaalsContact O-N 3.1Å; K167-G170 PolarHBondContact O-N 3.33Å; K167-M171 WeakPolarHBondContact CB-O 2.88Å; K167-M171 PolarHBondContact N-O 3.44Å; K167-D173 WeakPolarHBondContact CE-OD1 3.38Å; K167-D173 WeakPolarHBondContact CE-OD2 3.38Å; K167-D173 IonicContact NZ-OD1 3.17Å; K167-D173 PolarHBondContact NZ-OD1 3.03Å; K167-D173 IonicContact NZ-OD2 3.74Å; K167-D173 PolarHBondContact NZ-OD2 3.26Å
168	P	74.3	Confident	87.2	Confident	144 Å²	144	56.6 Å²	56.6	94%	0.935	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.5	178.1	-24.9	34.5	0	0	0	114.8	G170	P168-G170 PolarHBondContact O-N 2.92Å
169	N	79	Confident	87.4	Confident	102 Å²	102	53.5 Å²	53.5	55%	0.545	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	4.2	175.1	65.3	-6.7	0	0	0	113.5	K167 M171 Q179	K167-N169 WeakPolarHBondContact CB-OD1 3.29Å; K167-N169 PolarHBondContact O-N 2.97Å; K167-N169 VanDerWaalsContact O-N 3.1Å; N169-M171 VanDerWaalsContact C-N 3.33Å; N169-M171 WeakPolarHBondContact ND2-CG 3.27Å; N169-M171 WeakPolarHBondContact OD1-CB 3.47Å; N169-M171 WeakPolarHBondContact OD1-CG 3.5Å; N169-M171 PolarHBondContact OD1-N 3.49Å; N169-M171 VanDerWaalsContact OD1-N 3.1Å; N169-Q179 PolarHBondContact ND2-OE1 2.85Å
170	G	77.8	Confident	87.4	Confident	49 Å²	49	53.7 Å²	53.7	51%	0.505	34%	0.338	S	S	.	.	S	Bend	trans	84.2	0.3	-178.2	0	0	0	0	0	115.1	K167 P168	K167-G170 PolarHBondContact O-N 3.33Å; P168-G170 PolarHBondContact O-N 2.92Å
171	M	88.2	Confident	87.4	Confident	54 Å²	54	56.2 Å²	56.2	27%	0.266	36%	0.356	S	S	.	.			trans	-90.5	163.8	-178.6	-53.9	-70.2	-77	0	0	112	K167 N169 Q179 F180 S181	K167-M171 WeakPolarHBondContact CB-O 2.88Å; K167-M171 PolarHBondContact N-O 3.44Å; N169-M171 VanDerWaalsContact C-N 3.33Å; N169-M171 WeakPolarHBondContact ND2-CG 3.27Å; N169-M171 WeakPolarHBondContact OD1-CB 3.47Å; N169-M171 WeakPolarHBondContact OD1-CG 3.5Å; N169-M171 PolarHBondContact OD1-N 3.49Å; N169-M171 VanDerWaalsContact OD1-N 3.1Å; M171-Q179 HydrophobicContact CB-CB 4.09Å; M171-Q179 HydrophobicContact CE-CB 4.43Å; M171-F180 CarbonylContact C-O 3.58Å; M171-F180 WeakPolarHBondContact CA-O 3.34Å; M171-F180 WeakPolarHBondContact CB-O 3.43Å; M171-F180 VanDerWaalsContact CE-C 3.4Å; M171-S181 VanDerWaalsContact SD-CA 3.6Å
172	Y	92.2	Very high	87.3	Confident	40 Å²	40	54.7 Å²	54.7	16%	0.157	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.8	178.6	-57.4	-73.8	0	0	0	112.1	Y149 I164 H165 Q179 F180 L183	Y149-Y172 HydrophobicContact CD2-CD1 4.36Å; Y149-Y172 HydrophobicContact CD2-CE1 4.09Å; Y149-Y172 HydrophobicContact CE2-CD1 4.35Å; Y149-Y172 AromaticContact CE2-CE1 3.63Å; Y149-Y172 HydrophobicContact CE2-CE1 3.63Å; I164-Y172 HydrophobicContact CG2-CD1 4.34Å; H165-Y172 WeakPolarHBondContact O-CA 3.32Å; Y172-Q179 CarbonylContact O-C 3.58Å; Y172-Q179 WeakPolarHBondContact O-CA 3.43Å; Y172-F180 PolarHBondContact N-O 3.46Å; Y172-F180 PolarHBondContact O-N 2.8Å; Y172-L183 HydrophobicContact CD1-CD2 3.91Å; Y172-L183 HydrophobicContact CD2-CD2 4.29Å; Y172-L183 HydrophobicContact CD2-CG 4.43Å; Y172-L183 HydrophobicContact CE1-CD2 4.29Å; Y172-L183 HydrophobicContact CE2-CG 4.39Å; Y172-L183 HydrophobicContact CG-CD2 3.9Å
173	D	93.3	Very high	87.3	Confident	8 Å²	8	53.4 Å²	53.4	4%	0.043	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	166.4	167	77.3	7.3	0	0	0	112.8	I164 H165 K167 G175 H178 Q179	I164-D173 CarbonylContact C-O 3.55Å; I164-D173 VanDerWaalsContact CA-O 3.29Å; I164-D173 WeakPolarHBondContact CA-O 3.44Å; H165-D173 WeakPolarHBondContact CB-OD1 3.47Å; H165-D173 IonicContact CD2-OD1 3.82Å; H165-D173 IonicContact CG-OD1 3.74Å; H165-D173 PolarHBondContact N-O 3.21Å; H165-D173 PolarHBondContact O-N 3.38Å; H165-D173 VanDerWaalsContact O-N 3.11Å; K167-D173 WeakPolarHBondContact CE-OD1 3.38Å; K167-D173 WeakPolarHBondContact CE-OD2 3.38Å; K167-D173 IonicContact NZ-OD1 3.17Å; K167-D173 PolarHBondContact NZ-OD1 3.03Å; K167-D173 IonicContact NZ-OD2 3.74Å; K167-D173 PolarHBondContact NZ-OD2 3.26Å; D173-G175 PolarHBondContact OD1-N 3.04Å; D173-H178 WeakPolarHBondContact CB-O 3.38Å; D173-Q179 HydrophobicContact CB-CG 4.27Å
174	V	90.6	Very high	87.4	Confident	22 Å²	22	54.3 Å²	54.3	13%	0.133	35%	0.349	C	S	.	.	S	Bend	trans	-106.4	15.1	170.2	-64.7	0	0	0	0	112.2	I162 M163 I164 L186 Y190 M195	I162-V174 HydrophobicContact CG2-CB 4.05Å; I162-V174 HydrophobicContact CG2-CG1 3.99Å; M163-V174 WeakPolarHBondContact O-CA 3.48Å; I164-V174 HydrophobicContact CG1-CG1 3.78Å; V174-L186 HydrophobicContact CG1-CD1 4.28Å; V174-L186 HydrophobicContact CG1-CD2 4.13Å; V174-Y190 HydrophobicContact CG1-CE2 4.34Å; V174-Y190 HydrophobicContact CG2-CE1 4.35Å; V174-Y190 HydrophobicContact CG2-CE2 3.54Å; V174-Y190 VanDerWaalsContact CG2-CZ 3.42Å; V174-Y190 WeakPolarHBondContact CG2-OH 3.39Å; V174-M195 HydrophobicContact CB-CE 4.08Å; V174-M195 HydrophobicContact CG2-CE 3.63Å
175	G	83.5	Confident	87.4	Confident	34 Å²	34	58.7 Å²	58.7	35%	0.351	37%	0.369	S	S	.	.	S	Bend	trans	81.7	160.1	-162.5	0	0	0	0	0	112.9	D173	D173-G175 PolarHBondContact OD1-N 3.04Å
176	G	76.2	Confident	87.6	Confident	82 Å²	82	56.3 Å²	56.3	85%	0.845	36%	0.358	S	S	*	.	S	Bend	trans	96.4	1.8	179.3	0	0	0	0	0	116.1
177	G	78.9	Confident	88.1	Confident	60 Å²	60	54.8 Å²	54.8	62%	0.619	34%	0.341	S	S	*	.	S	Bend	trans	103.1	-24.8	166.4	0	0	0	0	0	116.1
178	H	89.4	Confident	88.7	Confident	109 Å²	109	54.8 Å²	54.8	51%	0.505	34%	0.344	S	S	.	.			trans	-74.1	127.1	174.4	-67.5	-78.5	0	0	0	111	D173 F180	D173-H178 WeakPolarHBondContact CB-O 3.38Å; H178-F180 HydrophobicContact CB-CE2 3.92Å; H178-F180 HydrophobicContact CB-CZ 4.01Å
179	Q	93.6	Very high	89.6	Confident	87 Å²	87	51 Å²	51	41%	0.407	31%	0.314	S	S	.	.			trans	-118.8	143.3	176.8	-64.1	-177.8	23.9	0	0	110.1	N169 M171 Y172 D173	N169-Q179 PolarHBondContact ND2-OE1 2.85Å; M171-Q179 HydrophobicContact CB-CB 4.09Å; M171-Q179 HydrophobicContact CE-CB 4.43Å; Y172-Q179 CarbonylContact O-C 3.58Å; Y172-Q179 WeakPolarHBondContact O-CA 3.43Å; D173-Q179 HydrophobicContact CB-CG 4.27Å
180	F	94.5	Very high	90.3	Very high	23 Å²	23	47.1 Å²	47.1	10%	0.101	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-125.6	147.7	-175.1	-57.9	-86.8	0	0	0	110.5	M171 Y172 H178 S182 E185 L186 F189 Y190	M171-F180 CarbonylContact C-O 3.58Å; M171-F180 WeakPolarHBondContact CA-O 3.34Å; M171-F180 WeakPolarHBondContact CB-O 3.43Å; M171-F180 VanDerWaalsContact CE-C 3.4Å; Y172-F180 PolarHBondContact N-O 3.46Å; Y172-F180 PolarHBondContact O-N 2.8Å; H178-F180 HydrophobicContact CB-CE2 3.92Å; H178-F180 HydrophobicContact CB-CZ 4.01Å; F180-S182 VanDerWaalsContact C-N 3.34Å; F180-E185 HydrophobicContact CB-CB 4.25Å; F180-E185 HydrophobicContact CD1-CB 4.17Å; F180-L186 HydrophobicContact CB-CB 3.88Å; F180-L186 HydrophobicContact CD1-CB 4.44Å; F180-L186 HydrophobicContact CD2-CB 3.7Å; F180-L186 HydrophobicContact CD2-CD1 3.82Å; F180-L186 HydrophobicContact CD2-CG 3.68Å; F180-L186 HydrophobicContact CE2-CB 4.36Å; F180-L186 HydrophobicContact CE2-CD1 4.45Å; F180-L186 HydrophobicContact CE2-CG 4.06Å; F180-L186 HydrophobicContact CG-CB 3.74Å; F180-L186 HydrophobicContact CG-CG 4.27Å; F180-F189 HydrophobicContact CE1-CB 3.54Å; F180-F189 HydrophobicContact CE1-CD1 4.22Å; F180-F189 HydrophobicContact CE1-CD2 4.1Å; F180-F189 AromaticContact CE1-CG 3.7Å; F180-F189 HydrophobicContact CE1-CG 3.7Å; F180-F189 HydrophobicContact CZ-CB 3.77Å; F180-F189 AromaticContact CZ-CD1 3.61Å; F180-F189 HydrophobicContact CZ-CD1 3.61Å; F180-F189 HydrophobicContact CZ-CD2 4.19Å; F180-F189 HydrophobicContact CZ-CE1 4.25Å; F180-F189 AromaticContact CZ-CG 3.58Å; F180-F189 HydrophobicContact CZ-CG 3.58Å; F180-Y190 HydrophobicContact CE2-CE2 4.03Å; F180-Y190 HydrophobicContact CZ-CE2 4.37Å
181	S	91.4	Very high	91	Very high	64 Å²	64	47.6 Å²	47.6	45%	0.448	28%	0.284	S	S	.	.	S	Bend	trans	-80.1	-20.4	-176.8	73.1	0	0	0	0	113	M171 E185	M171-S181 VanDerWaalsContact SD-CA 3.6Å; S181-E185 WeakPolarHBondContact CB-OE2 3.49Å; S181-E185 PolarHBondContact N-OE2 3.37Å; S181-E185 VanDerWaalsContact N-OE2 3.1Å; S181-E185 PolarHBondContact OG-OE1 2.85Å; S181-E185 PolarHBondContact OG-OE2 3.26Å
182	S	92.6	Very high	91.1	Very high	36 Å²	36	51.3 Å²	51.3	25%	0.252	31%	0.305	S	S	.	.	S	Bend	trans	-140.9	158.6	177.1	68.7	0	0	0	0	111.5	F180 K184 E185 L186	F180-S182 VanDerWaalsContact C-N 3.34Å; S182-K184 PolarHBondContact O-N 2.92Å; S182-E185 PolarHBondContact O-N 2.81Å; S182-E185 WeakPolarHBondContact OG-CG 3.42Å; S182-E185 PolarHBondContact OG-N 2.99Å; S182-L186 PolarHBondContact O-N 3.29Å
183	L	93.8	Very high	91	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-32.5	170.8	-67.3	179.4	0	0	0	111.6	P109 T110 W114 Y149 I164 Y172 L186 I187	P109-L183 HydrophobicContact CB-CD1 4.02Å; P109-L183 HydrophobicContact CG-CD1 3.64Å; T110-L183 HydrophobicContact CG2-CD1 4.46Å; W114-L183 HydrophobicContact CH2-CB 3.76Å; W114-L183 HydrophobicContact CZ3-CB 4.4Å; Y149-L183 HydrophobicContact CD1-CD1 4.22Å; Y149-L183 HydrophobicContact CD2-CD1 4.06Å; Y149-L183 HydrophobicContact CD2-CD2 3.93Å; Y149-L183 HydrophobicContact CD2-CG 4.47Å; Y149-L183 HydrophobicContact CE1-CD1 4.34Å; Y149-L183 HydrophobicContact CE2-CD1 4.19Å; Y149-L183 HydrophobicContact CE2-CD2 4.49Å; Y149-L183 HydrophobicContact CG-CD1 4.07Å; Y149-L183 HydrophobicContact CG-CD2 4.35Å; I164-L183 HydrophobicContact CD1-CD2 4.33Å; I164-L183 HydrophobicContact CG2-CD2 3.78Å; Y172-L183 HydrophobicContact CD1-CD2 3.91Å; Y172-L183 HydrophobicContact CD2-CD2 4.29Å; Y172-L183 HydrophobicContact CD2-CG 4.43Å; Y172-L183 HydrophobicContact CE1-CD2 4.29Å; Y172-L183 HydrophobicContact CE2-CG 4.39Å; Y172-L183 HydrophobicContact CG-CD2 3.9Å; L183-L186 WeakPolarHBondContact O-CB 3.47Å; L183-L186 PolarHBondContact O-N 2.91Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 2.79Å
184	K	94.2	Very high	90.7	Very high	76 Å²	76	54.9 Å²	54.9	33%	0.33	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-50.6	178.5	-171.1	-173.3	-173.6	-55.3	0	111.9	E112 S182 L186 I187 D188	E112-K184 HydrophobicContact CG-CB 4.24Å; E112-K184 HydrophobicContact CG-CD 4.25Å; E112-K184 HydrophobicContact CG-CG 4.06Å; E112-K184 VanDerWaalsContact OE1-CD 3.31Å; E112-K184 WeakPolarHBondContact OE1-CD 3.24Å; E112-K184 WeakPolarHBondContact OE1-CE 3.36Å; S182-K184 PolarHBondContact O-N 2.92Å; K184-L186 VanDerWaalsContact C-N 3.26Å; K184-L186 PolarHBondContact O-N 2.78Å; K184-I187 PolarHBondContact O-N 2.85Å; K184-D188 IonicContact NZ-OD1 2.79Å; K184-D188 PolarHBondContact NZ-OD1 2.93Å; K184-D188 IonicContact NZ-OD2 2.84Å; K184-D188 PolarHBondContact NZ-OD2 2.81Å; K184-D188 WeakPolarHBondContact O-CB 3.39Å; K184-D188 VanDerWaalsContact O-CG 3.23Å; K184-D188 PolarHBondContact O-N 2.8Å
185	E	94.9	Very high	90.7	Very high	92 Å²	92	55.4 Å²	55.4	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-59.7	-39.2	177.5	-73.1	176.4	173.6	0	0	112.2	F180 S181 S182 F189	F180-E185 HydrophobicContact CB-CB 4.25Å; F180-E185 HydrophobicContact CD1-CB 4.17Å; S181-E185 WeakPolarHBondContact CB-OE2 3.49Å; S181-E185 PolarHBondContact N-OE2 3.37Å; S181-E185 VanDerWaalsContact N-OE2 3.1Å; S181-E185 PolarHBondContact OG-OE1 2.85Å; S181-E185 PolarHBondContact OG-OE2 3.26Å; S182-E185 PolarHBondContact O-N 2.81Å; S182-E185 WeakPolarHBondContact OG-CG 3.42Å; S182-E185 PolarHBondContact OG-N 2.99Å; E185-F189 WeakPolarHBondContact O-CB 3.42Å; E185-F189 PolarHBondContact O-N 3.38Å
186	L	95.6	Very high	90.7	Very high	0 Å²	0	59 Å²	59	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-49.8	176.1	-175	154.8	0	0	0	111	I164 V174 F180 S182 L183 K184 F189 Y190	I164-L186 HydrophobicContact CD1-CD2 4.29Å; I164-L186 HydrophobicContact CG1-CD2 4.39Å; I164-L186 HydrophobicContact CG2-CD1 3.78Å; V174-L186 HydrophobicContact CG1-CD1 4.28Å; V174-L186 HydrophobicContact CG1-CD2 4.13Å; F180-L186 HydrophobicContact CB-CB 3.88Å; F180-L186 HydrophobicContact CD1-CB 4.44Å; F180-L186 HydrophobicContact CD2-CB 3.7Å; F180-L186 HydrophobicContact CD2-CD1 3.82Å; F180-L186 HydrophobicContact CD2-CG 3.68Å; F180-L186 HydrophobicContact CE2-CB 4.36Å; F180-L186 HydrophobicContact CE2-CD1 4.45Å; F180-L186 HydrophobicContact CE2-CG 4.06Å; F180-L186 HydrophobicContact CG-CB 3.74Å; F180-L186 HydrophobicContact CG-CG 4.27Å; S182-L186 PolarHBondContact O-N 3.29Å; L183-L186 WeakPolarHBondContact O-CB 3.47Å; L183-L186 PolarHBondContact O-N 2.91Å; K184-L186 VanDerWaalsContact C-N 3.26Å; K184-L186 PolarHBondContact O-N 2.78Å; L186-F189 PolarHBondContact O-N 3.38Å; L186-Y190 HydrophobicContact CD2-CD2 3.86Å; L186-Y190 HydrophobicContact CD2-CE2 4.19Å; L186-Y190 HydrophobicContact CG-CD2 4.16Å; L186-Y190 HydrophobicContact CG-CE2 4.14Å; L186-Y190 WeakPolarHBondContact O-CD2 3.31Å; L186-Y190 PolarHBondContact O-N 3.2Å
187	I	95.4	Very high	90.8	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-66.4	-44.8	-179.7	-65.4	-59.7	0	0	0	111	W114 F137 V139 L151 L183 K184 F189 Y190 T191 L205	W114-I187 HydrophobicContact CE3-CG1 4.4Å; W114-I187 HydrophobicContact CH2-CB 4.44Å; W114-I187 HydrophobicContact CH2-CG1 3.74Å; W114-I187 HydrophobicContact CZ2-CB 4.05Å; W114-I187 HydrophobicContact CZ2-CG1 3.85Å; W114-I187 HydrophobicContact CZ2-CG2 4.41Å; W114-I187 HydrophobicContact CZ3-CG1 4.04Å; F137-I187 HydrophobicContact CE2-CG2 3.71Å; F137-I187 HydrophobicContact CZ-CG2 3.87Å; V139-I187 HydrophobicContact CG2-CD1 3.75Å; V139-I187 HydrophobicContact CG2-CG1 4.16Å; L151-I187 HydrophobicContact CD1-CD1 3.93Å; L151-I187 HydrophobicContact CD2-CD1 4.18Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 2.79Å; K184-I187 PolarHBondContact O-N 2.85Å; I187-F189 PolarHBondContact O-N 2.92Å; I187-Y190 PolarHBondContact O-N 3.08Å; I187-Y190 VanDerWaalsContact O-N 3.12Å; I187-T191 WeakPolarHBondContact O-CB 3.22Å; I187-T191 PolarHBondContact O-N 2.92Å; I187-T191 PolarHBondContact O-OG1 3.07Å; I187-T191 VanDerWaalsContact O-OG1 3.12Å; I187-L205 HydrophobicContact CD1-CD1 4.34Å
188	D	93.7	Very high	90.7	Very high	65 Å²	65	66 Å²	66	35%	0.348	34%	0.34	S	S	.	.	H	α-helix	trans	-56.8	-38.8	177	-70.9	-18.7	0	0	0	111.7	K184 N192	K184-D188 IonicContact NZ-OD1 2.79Å; K184-D188 PolarHBondContact NZ-OD1 2.93Å; K184-D188 IonicContact NZ-OD2 2.84Å; K184-D188 PolarHBondContact NZ-OD2 2.81Å; K184-D188 WeakPolarHBondContact O-CB 3.39Å; K184-D188 VanDerWaalsContact O-CG 3.23Å; K184-D188 PolarHBondContact O-N 2.8Å; D188-N192 PolarHBondContact O-ND2 3.37Å
189	F	93.8	Very high	90.1	Very high	65 Å²	65	66.8 Å²	66.8	29%	0.285	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-49.2	175.5	177.9	-92.3	0	0	0	112	F180 E185 L186 I187 N192 T193	F180-F189 HydrophobicContact CE1-CB 3.54Å; F180-F189 HydrophobicContact CE1-CD1 4.22Å; F180-F189 HydrophobicContact CE1-CD2 4.1Å; F180-F189 AromaticContact CE1-CG 3.7Å; F180-F189 HydrophobicContact CE1-CG 3.7Å; F180-F189 HydrophobicContact CZ-CB 3.77Å; F180-F189 AromaticContact CZ-CD1 3.61Å; F180-F189 HydrophobicContact CZ-CD1 3.61Å; F180-F189 HydrophobicContact CZ-CD2 4.19Å; F180-F189 HydrophobicContact CZ-CE1 4.25Å; F180-F189 AromaticContact CZ-CG 3.58Å; F180-F189 HydrophobicContact CZ-CG 3.58Å; E185-F189 WeakPolarHBondContact O-CB 3.42Å; E185-F189 PolarHBondContact O-N 3.38Å; L186-F189 PolarHBondContact O-N 3.38Å; I187-F189 PolarHBondContact O-N 2.92Å; F189-N192 PolarHBondContact O-N 3.16Å; F189-N192 VanDerWaalsContact O-N 3.17Å; F189-T193 HydrophobicContact CE1-CG2 4.28Å; F189-T193 HydrophobicContact CZ-CG2 4.24Å; F189-T193 WeakPolarHBondContact O-CB 3.01Å; F189-T193 PolarHBondContact O-N 3.48Å; F189-T193 PolarHBondContact O-OG1 3.42Å
190	Y	93.6	Very high	89.4	Confident	21 Å²	21	65.3 Å²	65.3	8%	0.082	36%	0.356	C	S	.	.	H	α-helix	trans	-78.1	-17.9	-176.5	-73.6	-64.9	0	0	0	114.2	V174 F180 L186 I187 N192 T193 M195	V174-Y190 HydrophobicContact CG1-CE2 4.34Å; V174-Y190 HydrophobicContact CG2-CE1 4.35Å; V174-Y190 HydrophobicContact CG2-CE2 3.54Å; V174-Y190 VanDerWaalsContact CG2-CZ 3.42Å; V174-Y190 WeakPolarHBondContact CG2-OH 3.39Å; F180-Y190 HydrophobicContact CE2-CE2 4.03Å; F180-Y190 HydrophobicContact CZ-CE2 4.37Å; L186-Y190 HydrophobicContact CD2-CD2 3.86Å; L186-Y190 HydrophobicContact CD2-CE2 4.19Å; L186-Y190 HydrophobicContact CG-CD2 4.16Å; L186-Y190 HydrophobicContact CG-CE2 4.14Å; L186-Y190 WeakPolarHBondContact O-CD2 3.31Å; L186-Y190 PolarHBondContact O-N 3.2Å; I187-Y190 PolarHBondContact O-N 3.08Å; I187-Y190 VanDerWaalsContact O-N 3.12Å; Y190-N192 VanDerWaalsContact C-N 3.27Å; Y190-T193 WeakPolarHBondContact CD1-O 3.36Å; Y190-T193 CarbonylContact O-C 3.52Å; Y190-M195 HydrophobicContact CD1-CG 3.3Å; Y190-M195 HydrophobicContact CD1-SD 3.86Å; Y190-M195 HydrophobicContact CE1-CE 4.45Å; Y190-M195 HydrophobicContact CE1-CG 3.64Å; Y190-M195 HydrophobicContact CE1-SD 4.12Å; Y190-M195 HydrophobicContact CG-CG 4.05Å; Y190-M195 HydrophobicContact CG-SD 4.09Å
191	T	92.2	Very high	88.8	Confident	58 Å²	58	65.5 Å²	65.5	36%	0.356	37%	0.365	S	S	.	.	H	α-helix	trans	-64.4	-33.5	165	-67.7	0	0	0	0	111.8	I187	I187-T191 WeakPolarHBondContact O-CB 3.22Å; I187-T191 PolarHBondContact O-N 2.92Å; I187-T191 PolarHBondContact O-OG1 3.07Å; I187-T191 VanDerWaalsContact O-OG1 3.12Å
192	N	90.3	Very high	88.5	Confident	132 Å²	132	67.5 Å²	67.5	71%	0.706	37%	0.37	S	S	*	.	H	α-helix	trans	-95.4	-20.4	178.8	-65.8	-63.1	0	0	0	113.5	D188 F189 Y190	D188-N192 PolarHBondContact O-ND2 3.37Å; F189-N192 PolarHBondContact O-N 3.16Å; F189-N192 VanDerWaalsContact O-N 3.17Å; Y190-N192 VanDerWaalsContact C-N 3.27Å
193	T	90.2	Very high	88.4	Confident	66 Å²	66	66 Å²	66	41%	0.405	36%	0.359	S	S	.	.	S	Bend	trans	-127.9	90.1	-176.9	-46.3	0	0	0	0	109.7	F189 Y190	F189-T193 HydrophobicContact CE1-CG2 4.28Å; F189-T193 HydrophobicContact CZ-CG2 4.24Å; F189-T193 WeakPolarHBondContact O-CB 3.01Å; F189-T193 PolarHBondContact O-N 3.48Å; F189-T193 PolarHBondContact O-OG1 3.42Å; Y190-T193 WeakPolarHBondContact CD1-O 3.36Å; Y190-T193 CarbonylContact O-C 3.52Å
194	P	86.7	Confident	88.3	Confident	57 Å²	57	66.7 Å²	66.7	37%	0.37	36%	0.364	S	S	.	.			trans	-56.8	146.8	-176.4	-26.7	35.1	0	0	0	113.4	L202	P194-L202 HydrophobicContact CB-CD1 3.63Å; P194-L202 HydrophobicContact CB-CD2 4.05Å; P194-L202 HydrophobicContact CB-CG 3.79Å; P194-L202 HydrophobicContact CG-CD2 4.44Å
195	M	89.2	Confident	88.2	Confident	34 Å²	34	63.2 Å²	63.2	17%	0.167	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	156.4	178.1	-57	179	66.9	0	0	110.8	I162 V174 Y190 V203	I162-M195 HydrophobicContact CD1-CE 4.18Å; I162-M195 HydrophobicContact CD1-SD 3.83Å; I162-M195 HydrophobicContact CG2-CE 3.82Å; I162-M195 HydrophobicContact CG2-SD 4.4Å; V174-M195 HydrophobicContact CB-CE 4.08Å; V174-M195 HydrophobicContact CG2-CE 3.63Å; Y190-M195 HydrophobicContact CD1-CG 3.3Å; Y190-M195 HydrophobicContact CD1-SD 3.86Å; Y190-M195 HydrophobicContact CE1-CE 4.45Å; Y190-M195 HydrophobicContact CE1-CG 3.64Å; Y190-M195 HydrophobicContact CE1-SD 4.12Å; Y190-M195 HydrophobicContact CG-CG 4.05Å; Y190-M195 HydrophobicContact CG-SD 4.09Å; M195-V203 HydrophobicContact CB-CB 4.23Å; M195-V203 PolarHBondContact N-O 2.78Å; M195-V203 PolarHBondContact O-N 2.86Å
196	V	83.6	Confident	87.9	Confident	109 Å²	109	65.9 Å²	65.9	66%	0.661	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	124.3	177.1	-175.1	0	0	0	0	109.5	G201 L202	V196-G201 CarbonylContact C-O 3.56Å; V196-G201 WeakPolarHBondContact CA-O 3.28Å; V196-L202 HydrophobicContact CG2-CD1 4.21Å
197	E	78.3	Confident	87.6	Confident	67 Å²	67	68.5 Å²	68.5	31%	0.313	37%	0.372	S	S	.	.			trans	-71	161.7	173.5	-68.7	-162.4	145.4	0	0	111.9	N199 G200 G201 V203	E197-N199 WeakPolarHBondContact CB-OD1 3.37Å; E197-N199 PolarHBondContact O-N 2.85Å; E197-N199 PolarHBondContact OE2-ND2 3.13Å; E197-N199 PolarHBondContact OE2-OD1 3.2Å; E197-G200 PolarHBondContact O-N 3.26Å; E197-G201 PolarHBondContact N-O 3.35Å; E197-V203 HydrophobicContact CG-CG2 3.55Å
198	K	77.3	Confident	87.5	Confident	223 Å²	223	70 Å²	70	97%	0.97	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.3	178.8	-68	-176.3	179	179.2	0	113.8	G200	K198-G200 VanDerWaalsContact C-N 3.26Å
199	N	77.7	Confident	87.4	Confident	124 Å²	124	68.8 Å²	68.8	66%	0.663	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.3	176.1	60.4	8.9	0	0	0	112.6	E197 G201	E197-N199 WeakPolarHBondContact CB-OD1 3.37Å; E197-N199 PolarHBondContact O-N 2.85Å; E197-N199 PolarHBondContact OE2-ND2 3.13Å; E197-N199 PolarHBondContact OE2-OD1 3.2Å; N199-G201 PolarHBondContact OD1-N 3.49Å
200	G	78.1	Confident	87.3	Confident	56 Å²	56	67 Å²	67	58%	0.577	37%	0.367	S	S	*	.	S	Bend	trans	89.6	0.1	-175.5	0	0	0	0	0	115.2	E197 K198	E197-G200 PolarHBondContact O-N 3.26Å; K198-G200 VanDerWaalsContact C-N 3.26Å
201	G	81.8	Confident	87.2	Confident	28 Å²	28	66.5 Å²	66.5	29%	0.289	37%	0.366	S	S	.	.			trans	-65.6	141.2	175.6	0	0	0	0	0	112.3	V196 E197 N199	V196-G201 CarbonylContact C-O 3.56Å; V196-G201 WeakPolarHBondContact CA-O 3.28Å; E197-G201 PolarHBondContact N-O 3.35Å; N199-G201 PolarHBondContact OD1-N 3.49Å
202	L	86.5	Confident	87.1	Confident	106 Å²	106	64.7 Å²	64.7	56%	0.555	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.1	177.2	-165.5	74.1	0	0	0	110.1	P194 V196	P194-L202 HydrophobicContact CB-CD1 3.63Å; P194-L202 HydrophobicContact CB-CD2 4.05Å; P194-L202 HydrophobicContact CB-CG 3.79Å; P194-L202 HydrophobicContact CG-CD2 4.44Å; V196-L202 HydrophobicContact CG2-CD1 4.21Å
203	V	89.4	Confident	87.1	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	108.7	170.2	-174.9	0	0	0	0	108.8	V153 T155 I162 M195 E197	V153-V203 HydrophobicContact CB-CG1 3.86Å; V153-V203 HydrophobicContact CG1-CG1 3.77Å; V153-V203 HydrophobicContact CG2-CG1 3.87Å; T155-V203 HydrophobicContact CG2-CB 4.24Å; T155-V203 HydrophobicContact CG2-CG1 3.91Å; T155-V203 HydrophobicContact CG2-CG2 3.87Å; I162-V203 HydrophobicContact CD1-CG1 4.06Å; M195-V203 HydrophobicContact CB-CB 4.23Å; M195-V203 PolarHBondContact N-O 2.78Å; M195-V203 PolarHBondContact O-N 2.86Å; E197-V203 HydrophobicContact CG-CG2 3.55Å
204	S	91.6	Very high	87.1	Confident	16 Å²	16	58.2 Å²	58.2	11%	0.112	31%	0.314	C	S	.	.			trans	-105.1	137.9	178.2	-61.1	0	0	0	0	110.5	D135	D135-S204 WeakPolarHBondContact CB-O 3.33Å
205	L	92.9	Very high	87.1	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.016	30%	0.3	C	S	.	.			trans	-103.1	96.9	174.7	-48.9	-177.1	0	0	0	108.7	F137 L151 V153 I187	F137-L205 HydrophobicContact CB-CD2 3.99Å; F137-L205 HydrophobicContact CD1-CB 3.76Å; F137-L205 HydrophobicContact CD1-CD2 4.3Å; F137-L205 HydrophobicContact CE1-CB 3.87Å; F137-L205 HydrophobicContact CG-CB 4.32Å; F137-L205 HydrophobicContact CG-CD2 4.1Å; L151-L205 HydrophobicContact CD1-CD1 4.42Å; L151-L205 HydrophobicContact CD1-CD2 4.18Å; L151-L205 HydrophobicContact CD2-CD1 3.88Å; L151-L205 HydrophobicContact CD2-CD2 4.04Å; L151-L205 HydrophobicContact CG-CD2 4.45Å; V153-L205 HydrophobicContact CB-CD2 4.33Å; V153-L205 HydrophobicContact CG1-CD2 3.9Å; V153-L205 HydrophobicContact CG2-CD2 3.43Å; V153-L205 VanDerWaalsContact CG2-CD2 3.43Å; I187-L205 HydrophobicContact CD1-CD1 4.34Å
206	K	88.7	Confident	87.1	Confident	149 Å²	149	54.5 Å²	54.5	65%	0.648	29%	0.292	S	S	*	.			trans	-105.6	-40	-177.5	-67.5	-172.2	-175.2	144.8	0	113.6	D135	D135-K206 HydrophobicContact CB-CB 3.72Å; D135-K206 HydrophobicContact CB-CD 3.96Å; D135-K206 HydrophobicContact CB-CG 3.74Å; D135-K206 PolarHBondContact O-N 3.29Å; D135-K206 VanDerWaalsContact OD2-CD 3.24Å; D135-K206 WeakPolarHBondContact OD2-CD 3.15Å; D135-K206 WeakPolarHBondContact OD2-CE 3.32Å; D135-K206 IonicContact OD2-NZ 2.92Å; D135-K206 PolarHBondContact OD2-NZ 3.38Å
207	Q	88.7	Confident	87.1	Confident	55 Å²	55	52 Å²	52	26%	0.257	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	119	-174.6	-177.5	157.9	31.2	0	0	111.1	D135 C136 F137	D135-Q207 PolarHBondContact O-N 3.23Å; C136-Q207 CarbonylContact C-O 3.51Å; C136-Q207 WeakPolarHBondContact CA-O 3.3Å; F137-Q207 WeakPolarHBondContact CD1-O 3.05Å; F137-Q207 PolarHBondContact N-O 3.18Å
208	P	92.4	Very high	87.5	Confident	32 Å²	32	50.3 Å²	50.3	21%	0.208	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.8	170.2	28.2	-33.1	0	0	0	110	W114 F137	W114-P208 HydrophobicContact CB-CB 3.76Å; W114-P208 HydrophobicContact CG-CB 4.4Å; F137-P208 HydrophobicContact CE1-CB 4.15Å; F137-P208 HydrophobicContact CE2-CB 4.33Å; F137-P208 HydrophobicContact CZ-CB 3.85Å
209	F	91.9	Very high	88.2	Confident	41 Å²	41	39.7 Å²	39.7	18%	0.18	23%	0.227	C	C	.	.			trans	-89.4	102.7	164.2	-168.3	-80.5	0	0	0	107.3	H116 M127 L128 R131 F137 L138	H116-F209 AromaticContact CE1-CD1 3.51Å; H116-F209 AromaticContact CE1-CE1 3.88Å; H116-F209 AromaticContact NE2-CD1 3.69Å; H116-F209 PolarHBondContact NE2-O 2.94Å; M127-F209 HydrophobicContact CB-CE1 4.38Å; M127-F209 HydrophobicContact CB-CZ 4.29Å; M127-F209 HydrophobicContact CE-CD1 4.09Å; M127-F209 HydrophobicContact CE-CE1 3.43Å; M127-F209 VanDerWaalsContact CE-CE1 3.43Å; M127-F209 HydrophobicContact CE-CZ 4.21Å; L128-F209 HydrophobicContact CD2-CB 4.03Å; L128-F209 HydrophobicContact CD2-CD2 4.37Å; L128-F209 HydrophobicContact CD2-CG 4.33Å; R131-F209 HydrophobicContact CB-CD2 4.11Å; R131-F209 HydrophobicContact CB-CE2 3.81Å; R131-F209 HydrophobicContact CG-CD2 4.01Å; R131-F209 HydrophobicContact CG-CE2 3.94Å; F137-F209 WeakPolarHBondContact O-CB 3.38Å; F137-F209 PolarHBondContact O-N 3.01Å; L138-F209 HydrophobicContact CB-CB 4.3Å; L138-F209 HydrophobicContact CD2-CD1 4.35Å
210	N	91.6	Very high	88.9	Confident	28 Å²	28	37.1 Å²	37.1	15%	0.15	21%	0.213	C	C	.	.			trans	-79	134	-170.8	-69.7	-29.1	0	0	0	112.1	R113 E241	R113-N210 HydrophobicContact CB-CB 3.85Å; R113-N210 WeakPolarHBondContact CB-OD1 3.32Å; R113-N210 CarbonylContact O-C 3.59Å; R113-N210 WeakPolarHBondContact O-CA 3.39Å; N210-E241 PolarHBondContact ND2-OE1 2.62Å
211	A	91.3	Very high	89.6	Confident	9 Å²	9	39.8 Å²	39.8	7%	0.074	21%	0.211	C	C	.	.			trans	-79.9	140	169.9	0	0	0	0	0	110.6	R113 F115 R222	R113-A211 WeakPolarHBondContact O-CB 3.42Å; R113-A211 PolarHBondContact O-N 3.47Å; F115-A211 WeakPolarHBondContact O-CB 3.26Å; A211-R222 PolarHBondContact O-NH2 3.44Å
212	T	91.6	Very high	90.1	Very high	21 Å²	21	39.1 Å²	39.1	13%	0.129	20%	0.2	C	C	.	.			trans	-99.9	-14.9	172.9	53.3	0	0	0	0	112.7	F214 E242 D595	T212-F214 WeakPolarHBondContact O-CD1 3.41Å; T212-E242 HydrophobicContact CG2-CG 4.25Å; T212-D595 WeakPolarHBondContact CB-OD1 3.26Å; T212-D595 VanDerWaalsContact OG1-CG 3.24Å; T212-D595 PolarHBondContact OG1-OD1 2.7Å; T212-D595 PolarHBondContact OG1-OD2 2.97Å; T212-D595 VanDerWaalsContact OG1-OD2 3.11Å
213	R	90.5	Very high	90.4	Very high	50 Å²	50	34.3 Å²	34.3	19%	0.189	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	137.1	173.4	176.3	-172.6	170.4	173.3	5.6	110.8	L312 N314 D593 I594 D595	R213-L312 HydrophobicContact CG-CD2 4.41Å; R213-L312 PolarHBondContact NH2-O 3.09Å; R213-N314 VanDerWaalsContact CZ-OD1 3.31Å; R213-N314 PolarHBondContact NH1-OD1 2.99Å; R213-N314 VanDerWaalsContact NH2-CG 3.29Å; R213-N314 PolarHBondContact NH2-ND2 3.08Å; R213-N314 VanDerWaalsContact NH2-ND2 3.16Å; R213-N314 PolarHBondContact NH2-OD1 2.89Å; R213-D593 HydrophobicContact CG-CB 4.28Å; R213-D593 IonicContact CZ-OD2 2.66Å; R213-D593 IonicContact NE-OD2 2.73Å; R213-D593 PolarHBondContact NE-OD2 2.9Å; R213-D593 IonicContact NH2-OD2 3.35Å; R213-D593 PolarHBondContact NH2-OD2 2.82Å; R213-I594 WeakPolarHBondContact CA-O 3.29Å; R213-D595 HydrophobicContact CB-CB 4.29Å
214	F	89.1	Confident	90.5	Very high	12 Å²	12	39 Å²	39	5%	0.053	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	166	173.6	64.9	-80.7	0	0	0	111.4	T212 I219 R222 D593 I594 I596 Y621	T212-F214 WeakPolarHBondContact O-CD1 3.41Å; F214-I219 HydrophobicContact CE2-CB 3.84Å; F214-I219 HydrophobicContact CE2-CD1 4.14Å; F214-I219 HydrophobicContact CE2-CG1 3.78Å; F214-I219 HydrophobicContact CZ-CD1 4.18Å; F214-I219 HydrophobicContact CZ-CG1 4.12Å; F214-R222 HydrophobicContact CB-CG 4.49Å; F214-R222 HydrophobicContact CD1-CG 3.91Å; F214-R222 HydrophobicContact CD2-CB 3.96Å; F214-R222 HydrophobicContact CD2-CG 4.02Å; F214-R222 HydrophobicContact CE1-CG 4.11Å; F214-R222 HydrophobicContact CE2-CB 4.26Å; F214-R222 HydrophobicContact CE2-CG 4.24Å; F214-R222 HydrophobicContact CG-CB 4.22Å; F214-R222 HydrophobicContact CG-CG 3.88Å; F214-R222 HydrophobicContact CZ-CG 4.28Å; F214-D593 WeakPolarHBondContact O-CA 3.41Å; F214-I594 HydrophobicContact CE1-CD1 4.3Å; F214-I594 HydrophobicContact CE1-CG1 4.12Å; F214-I594 HydrophobicContact CE2-CD1 4.13Å; F214-I594 HydrophobicContact CE2-CG1 4.15Å; F214-I594 HydrophobicContact CZ-CD1 3.68Å; F214-I594 HydrophobicContact CZ-CG1 3.85Å; F214-I594 PolarHBondContact N-O 3.03Å; F214-I594 PolarHBondContact O-N 2.78Å; F214-I596 HydrophobicContact CE1-CD1 4.35Å; F214-I596 HydrophobicContact CE1-CG1 4.46Å; F214-I596 HydrophobicContact CZ-CD1 4.21Å; F214-Y621 AromaticContact CE1-CE1 3.62Å; F214-Y621 HydrophobicContact CE1-CE1 3.62Å; F214-Y621 HydrophobicContact CZ-CD1 4.25Å; F214-Y621 AromaticContact CZ-CE1 3.77Å; F214-Y621 HydrophobicContact CZ-CE1 3.77Å
215	N	86.2	Confident	90.4	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.064	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.2	175.4	-165.2	-90.8	0	0	0	111.6	S217 T218 N591 C592 D593	N215-S217 PolarHBondContact O-N 2.75Å; N215-S217 WeakPolarHBondContact OD1-CB 3.45Å; N215-S217 PolarHBondContact OD1-N 2.87Å; N215-S217 VanDerWaalsContact OD1-N 3.09Å; N215-S217 PolarHBondContact OD1-OG 2.88Å; N215-T218 PolarHBondContact O-N 3.35Å; N215-T218 PolarHBondContact O-OG1 2.94Å; N215-N591 PolarHBondContact ND2-O 3.19Å; N215-C592 PolarHBondContact ND2-O 3.19Å; N215-D593 WeakPolarHBondContact CA-OD1 3.32Å; N215-D593 PolarHBondContact ND2-OD1 3.24Å
216	V	89.1	Confident	90.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58.8	-35.3	-176.9	172.1	0	0	0	0	112.5	T218 I219 I585 L590 C592 I594 V628	V216-T218 PolarHBondContact O-N 2.97Å; V216-I219 WeakPolarHBondContact O-CB 3.49Å; V216-I219 WeakPolarHBondContact O-CG2 3.44Å; V216-I219 PolarHBondContact O-N 3.43Å; V216-I585 HydrophobicContact CG1-CD1 3.89Å; V216-I585 HydrophobicContact CG1-CG1 4.14Å; V216-I585 HydrophobicContact CG1-CG2 4.24Å; V216-I585 HydrophobicContact CG2-CD1 4.07Å; V216-I585 HydrophobicContact CG2-CG1 3.93Å; V216-L590 WeakPolarHBondContact CB-O 3.43Å; V216-C592 WeakPolarHBondContact CB-O 3.42Å; V216-C592 VanDerWaalsContact CG2-O 3.26Å; V216-C592 WeakPolarHBondContact CG2-O 3.38Å; V216-C592 PolarHBondContact N-O 2.85Å; V216-I594 HydrophobicContact CG2-CB 4.07Å; V216-I594 HydrophobicContact CG2-CD1 3.81Å; V216-I594 HydrophobicContact CG2-CG1 3.61Å; V216-I594 HydrophobicContact CG2-CG2 3.45Å; V216-I594 VanDerWaalsContact CG2-CG2 3.45Å; V216-V628 HydrophobicContact CG1-CB 4.44Å; V216-V628 HydrophobicContact CG1-CG1 4.26Å; V216-V628 HydrophobicContact CG1-CG2 3.3Å
217	S	83.5	Confident	90.5	Very high	56 Å²	56	37.2 Å²	37.2	39%	0.392	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-65.8	-20.1	179.1	70.6	0	0	0	0	113.8	N215 L590	N215-S217 PolarHBondContact O-N 2.75Å; N215-S217 WeakPolarHBondContact OD1-CB 3.45Å; N215-S217 PolarHBondContact OD1-N 2.87Å; N215-S217 VanDerWaalsContact OD1-N 3.09Å; N215-S217 PolarHBondContact OD1-OG 2.88Å; S217-L590 PolarHBondContact N-O 3.39Å
218	T	87.8	Confident	90.2	Very high	32 Å²	32	40.7 Å²	40.7	20%	0.196	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-101	13.6	179.9	65.6	0	0	0	0	113	N215 V216 D220 Q221 R222	N215-T218 PolarHBondContact O-N 3.35Å; N215-T218 PolarHBondContact O-OG1 2.94Å; V216-T218 PolarHBondContact O-N 2.97Å; T218-D220 VanDerWaalsContact C-N 3.25Å; T218-D220 PolarHBondContact O-N 2.67Å; T218-D220 VanDerWaalsContact O-N 3.15Å; T218-Q221 WeakPolarHBondContact O-CB 3.39Å; T218-Q221 PolarHBondContact O-N 2.81Å; T218-R222 PolarHBondContact O-N 2.78Å
219	I	93	Very high	89.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.4	-35.9	-175.2	-168.2	161.1	0	0	0	113.8	F214 V216 Q221 R222 M223 V624 Q625 V628	F214-I219 HydrophobicContact CE2-CB 3.84Å; F214-I219 HydrophobicContact CE2-CD1 4.14Å; F214-I219 HydrophobicContact CE2-CG1 3.78Å; F214-I219 HydrophobicContact CZ-CD1 4.18Å; F214-I219 HydrophobicContact CZ-CG1 4.12Å; V216-I219 WeakPolarHBondContact O-CB 3.49Å; V216-I219 WeakPolarHBondContact O-CG2 3.44Å; V216-I219 PolarHBondContact O-N 3.43Å; I219-Q221 PolarHBondContact O-N 3.1Å; I219-R222 PolarHBondContact O-N 3.26Å; I219-M223 HydrophobicContact CG1-CG 4.37Å; I219-M223 HydrophobicContact CG1-SD 4.34Å; I219-M223 WeakPolarHBondContact O-CB 3.47Å; I219-M223 WeakPolarHBondContact O-CG 3.34Å; I219-M223 PolarHBondContact O-N 3.34Å; I219-V624 HydrophobicContact CD1-CB 3.8Å; I219-V624 HydrophobicContact CD1-CG1 3.51Å; I219-Q625 HydrophobicContact CD1-CB 4.13Å; I219-Q625 HydrophobicContact CG1-CB 4.25Å; I219-Q625 HydrophobicContact CG2-CB 4.31Å; I219-Q625 HydrophobicContact CG2-CG 4.34Å; I219-V628 HydrophobicContact CG2-CB 4.29Å; I219-V628 HydrophobicContact CG2-CG1 4.08Å
220	D	92.3	Very high	88.2	Confident	70 Å²	70	45.1 Å²	45.1	37%	0.374	23%	0.234	S	C	.	.	H	α-helix	trans	-62	-44.2	176.8	-67.9	-46.3	0	0	0	111.7	T218 M223 H224 Q625 N629	T218-D220 VanDerWaalsContact C-N 3.25Å; T218-D220 PolarHBondContact O-N 2.67Å; T218-D220 VanDerWaalsContact O-N 3.15Å; D220-M223 PolarHBondContact O-N 3.18Å; D220-H224 PolarHBondContact O-N 3.33Å; D220-Q625 WeakPolarHBondContact OD1-CG 3.49Å; D220-Q625 PolarHBondContact OD1-NE2 3.45Å; D220-N629 PolarHBondContact OD1-ND2 2.83Å; D220-N629 PolarHBondContact OD2-OD1 2.79Å
221	Q	91.1	Very high	86.7	Confident	112 Å²	112	45.3 Å²	45.3	52%	0.523	24%	0.243	S	C	.	.	H	α-helix	trans	-67.8	-42	177.8	-61.4	173.1	6.4	0	0	110.7	T218 I219 M223 H224 Q225	T218-Q221 WeakPolarHBondContact O-CB 3.39Å; T218-Q221 PolarHBondContact O-N 2.81Å; I219-Q221 PolarHBondContact O-N 3.1Å; Q221-M223 VanDerWaalsContact C-N 3.34Å; Q221-M223 PolarHBondContact O-N 2.93Å; Q221-H224 PolarHBondContact O-N 3.01Å; Q221-Q225 WeakPolarHBondContact O-CB 3.21Å; Q221-Q225 PolarHBondContact O-N 3.32Å
222	R	92.7	Very high	84.9	Confident	14 Å²	14	52.6 Å²	52.6	5%	0.053	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-45.7	176.2	176	53.9	174.9	-153.3	-8.6	111.6	R113 A211 F214 T218 I219 Q225 L226 E242 Y621	R113-R222 VanDerWaalsContact CG-NH1 3.32Å; A211-R222 PolarHBondContact O-NH2 3.44Å; F214-R222 HydrophobicContact CB-CG 4.49Å; F214-R222 HydrophobicContact CD1-CG 3.91Å; F214-R222 HydrophobicContact CD2-CB 3.96Å; F214-R222 HydrophobicContact CD2-CG 4.02Å; F214-R222 HydrophobicContact CE1-CG 4.11Å; F214-R222 HydrophobicContact CE2-CB 4.26Å; F214-R222 HydrophobicContact CE2-CG 4.24Å; F214-R222 HydrophobicContact CG-CB 4.22Å; F214-R222 HydrophobicContact CG-CG 3.88Å; F214-R222 HydrophobicContact CZ-CG 4.28Å; T218-R222 PolarHBondContact O-N 2.78Å; I219-R222 PolarHBondContact O-N 3.26Å; R222-Q225 WeakPolarHBondContact O-CB 3.44Å; R222-Q225 PolarHBondContact O-N 3.45Å; R222-L226 HydrophobicContact CG-CD1 4.38Å; R222-L226 WeakPolarHBondContact O-CG 3.46Å; R222-L226 PolarHBondContact O-N 3.36Å; R222-L226 VanDerWaalsContact O-N 3.11Å; R222-E242 IonicContact CZ-OE1 3.14Å; R222-E242 IonicContact NE-OE1 2.75Å; R222-E242 IonicContact NH2-OE1 3.2Å; R222-E242 PolarHBondContact NH2-OE1 2.99Å; R222-Y621 HydrophobicContact CG-CE1 4.04Å
223	M	93.5	Very high	83.1	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.03	31%	0.313	C	S	.	.	H	α-helix	trans	-61.2	-49.7	176.9	-75.2	-176.9	68.9	0	0	110.4	I219 D220 Q221 Q225 L226 E227 F239 Y621 K622 Q625	I219-M223 HydrophobicContact CG1-CG 4.37Å; I219-M223 HydrophobicContact CG1-SD 4.34Å; I219-M223 WeakPolarHBondContact O-CB 3.47Å; I219-M223 WeakPolarHBondContact O-CG 3.34Å; I219-M223 PolarHBondContact O-N 3.34Å; D220-M223 PolarHBondContact O-N 3.18Å; Q221-M223 VanDerWaalsContact C-N 3.34Å; Q221-M223 PolarHBondContact O-N 2.93Å; M223-Q225 VanDerWaalsContact C-N 3.28Å; M223-Q225 PolarHBondContact O-N 2.91Å; M223-L226 PolarHBondContact O-N 2.61Å; M223-L226 VanDerWaalsContact O-N 3.09Å; M223-E227 VanDerWaalsContact O-CG 3.28Å; M223-E227 WeakPolarHBondContact O-CG 3.44Å; M223-E227 PolarHBondContact O-N 2.62Å; M223-F239 HydrophobicContact CG-CZ 4.38Å; M223-Y621 HydrophobicContact CG-CD1 3.98Å; M223-K622 HydrophobicContact CE-CB 4.39Å; M223-K622 HydrophobicContact CE-CG 3.56Å; M223-Q625 HydrophobicContact SD-CB 3.6Å; M223-Q625 VanDerWaalsContact SD-CB 3.6Å; M223-Q625 HydrophobicContact SD-CG 3.9Å; M223-Q625 PolarHBondContact SD-OE1 3.12Å; M223-Q625 VanDerWaalsContact SD-OE1 3.39Å
224	H	91.7	Very high	81.4	Confident	101 Å²	101	56.4 Å²	56.4	47%	0.468	32%	0.324	S	S	.	.	H	α-helix	trans	-55.1	-43	178.3	-165.8	66.7	0	0	0	113.2	D220 Q221 E227 Q228	D220-H224 PolarHBondContact O-N 3.33Å; Q221-H224 PolarHBondContact O-N 3.01Å; H224-E227 PolarHBondContact O-N 2.81Å; H224-Q228 PolarHBondContact CE1-NE2 3.17Å; H224-Q228 PolarHBondContact NE2-NE2 2.93Å; H224-Q228 WeakPolarHBondContact O-CG 3.26Å; H224-Q228 PolarHBondContact O-N 2.78Å; H224-Q228 VanDerWaalsContact O-N 3.13Å
225	Q	89.3	Confident	80.1	Confident	32 Å²	32	59.1 Å²	59.1	15%	0.15	36%	0.356	C	S	.	.	H	α-helix	trans	-56.7	-52.2	174.5	174.7	179.8	55.9	0	0	111.5	T111 R113 Q221 R222 M223 E227 Q228 E229	T111-Q225 PolarHBondContact O-NE2 3.17Å; R113-Q225 HydrophobicContact CG-CG 4.42Å; Q221-Q225 WeakPolarHBondContact O-CB 3.21Å; Q221-Q225 PolarHBondContact O-N 3.32Å; R222-Q225 WeakPolarHBondContact O-CB 3.44Å; R222-Q225 PolarHBondContact O-N 3.45Å; M223-Q225 VanDerWaalsContact C-N 3.28Å; M223-Q225 PolarHBondContact O-N 2.91Å; Q225-E227 PolarHBondContact O-N 3.3Å; Q225-Q228 PolarHBondContact O-N 3.16Å; Q225-E229 VanDerWaalsContact CG-OE1 3.26Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.47Å; Q225-E229 WeakPolarHBondContact O-CG 3.36Å; Q225-E229 PolarHBondContact O-N 2.98Å; Q225-E229 VanDerWaalsContact O-N 3.16Å
226	L	92	Very high	79.5	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-67.3	-18.9	-179.9	-65.7	177.4	0	0	0	113.9	R222 M223 G238 F239 E242 Y621	R222-L226 HydrophobicContact CG-CD1 4.38Å; R222-L226 WeakPolarHBondContact O-CG 3.46Å; R222-L226 PolarHBondContact O-N 3.36Å; R222-L226 VanDerWaalsContact O-N 3.11Å; M223-L226 PolarHBondContact O-N 2.61Å; M223-L226 VanDerWaalsContact O-N 3.09Å; L226-G238 VanDerWaalsContact O-CA 3.3Å; L226-G238 WeakPolarHBondContact O-CA 2.95Å; L226-F239 HydrophobicContact CB-CD1 4.4Å; L226-F239 HydrophobicContact CB-CD2 3.67Å; L226-F239 HydrophobicContact CB-CE1 4.24Å; L226-F239 HydrophobicContact CB-CE2 3.49Å; L226-F239 VanDerWaalsContact CB-CE2 3.49Å; L226-F239 HydrophobicContact CB-CG 4.13Å; L226-F239 HydrophobicContact CB-CZ 3.81Å; L226-F239 HydrophobicContact CD1-CD1 3.99Å; L226-F239 HydrophobicContact CD1-CE1 3.65Å; L226-F239 HydrophobicContact CD1-CE2 4.39Å; L226-F239 HydrophobicContact CD1-CG 4.5Å; L226-F239 HydrophobicContact CD1-CZ 3.88Å; L226-F239 PolarHBondContact O-N 3.33Å; L226-E242 HydrophobicContact CD2-CG 4.39Å; L226-Y621 HydrophobicContact CD1-CE1 3.98Å; L226-Y621 HydrophobicContact CD1-CE2 4.49Å
227	E	90.2	Very high	79.3	Confident	93 Å²	93	62.4 Å²	62.4	44%	0.435	38%	0.376	S	S	.	.	H	α-helix	trans	-83.4	-29.9	174.8	-64	-170.8	143	0	0	113.4	M223 H224 Q225 F239 R618	M223-E227 VanDerWaalsContact O-CG 3.28Å; M223-E227 WeakPolarHBondContact O-CG 3.44Å; M223-E227 PolarHBondContact O-N 2.62Å; H224-E227 PolarHBondContact O-N 2.81Å; Q225-E227 PolarHBondContact O-N 3.3Å; E227-F239 HydrophobicContact CG-CD2 4.43Å; E227-F239 HydrophobicContact CG-CE2 3.78Å; E227-R618 IonicContact OE1-CZ 2.66Å; E227-R618 VanDerWaalsContact OE1-CZ 3.31Å; E227-R618 IonicContact OE1-NH1 2.71Å; E227-R618 IonicContact OE1-NH2 3.31Å; E227-R618 PolarHBondContact OE1-NH2 3.02Å
228	Q	83.8	Confident	79.6	Confident	128 Å²	128	59.8 Å²	59.8	60%	0.598	36%	0.358	S	S	*	.	H	α-helix	trans	-95.4	-20.6	-173.7	-71.8	-172.9	-6.3	0	0	114.3	H224 Q225 S230	H224-Q228 PolarHBondContact CE1-NE2 3.17Å; H224-Q228 PolarHBondContact NE2-NE2 2.93Å; H224-Q228 WeakPolarHBondContact O-CG 3.26Å; H224-Q228 PolarHBondContact O-N 2.78Å; H224-Q228 VanDerWaalsContact O-N 3.13Å; Q225-Q228 PolarHBondContact O-N 3.16Å; Q228-S230 PolarHBondContact O-N 2.84Å
229	E	79.1	Confident	79.9	Confident	64 Å²	64	58.6 Å²	58.6	30%	0.299	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-59.6	126.4	-178.5	-81.6	174	-174.1	0	0	111.7	R113 Q225 A237 G238	R113-E229 WeakPolarHBondContact CD-OE1 3.26Å; R113-E229 IonicContact CZ-OE2 2.97Å; R113-E229 IonicContact NH1-OE1 2.94Å; R113-E229 IonicContact NH1-OE2 3.62Å; R113-E229 PolarHBondContact NH1-OE2 3.13Å; Q225-E229 VanDerWaalsContact CG-OE1 3.26Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.47Å; Q225-E229 WeakPolarHBondContact O-CG 3.36Å; Q225-E229 PolarHBondContact O-N 2.98Å; Q225-E229 VanDerWaalsContact O-N 3.16Å; E229-A237 HydrophobicContact CB-CB 3.9Å; E229-A237 WeakPolarHBondContact O-CB 3.36Å; E229-G238 PolarHBondContact OE2-N 3.41Å
230	S	63.6	Low	79.8	Confident	101 Å²	101	61.7 Å²	61.7	71%	0.706	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-103.8	126.2	168.4	55.9	0	0	0	0	108.7	Q228 H232	Q228-S230 PolarHBondContact O-N 2.84Å; S230-H232 PolarHBondContact O-N 3.13Å
231	G	59.4	Low	79.7	Confident	33 Å²	33	59.5 Å²	59.5	34%	0.34	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-51.1	128.1	-167.5	0	0	0	0	0	114.9	G233 L236 A237	G231-G233 PolarHBondContact O-N 3.23Å; G231-L236 WeakPolarHBondContact CA-O 3.34Å; G231-A237 VanDerWaalsContact CA-CB 3.45Å
232	H	54.4	Low	79.7	Confident	162 Å²	162	54.1 Å²	54.1	75%	0.75	33%	0.328	S	S	*	.	S	Bend	trans	-81.7	100.3	169.5	-72	-71	0	0	0	110	S230 S234	S230-H232 PolarHBondContact O-N 3.13Å; H232-S234 PolarHBondContact O-N 3.19Å
233	G	52	Low	79.7	Confident	90 Å²	90	54 Å²	54	93%	0.928	33%	0.328	S	S	*	.	S	Bend	trans	70.9	-30.7	168.3	0	0	0	0	0	116.9	G231	G231-G233 PolarHBondContact O-N 3.23Å
234	S	54.7	Low	79.6	Confident	60 Å²	60	56.7 Å²	56.7	42%	0.42	34%	0.341	S	S	.	.	S	Bend	trans	-81	-17.6	177.2	75.1	0	0	0	0	113.2	H232 L236	H232-S234 PolarHBondContact O-N 3.19Å; S234-L236 PolarHBondContact O-N 3.07Å; S234-L236 PolarHBondContact OG-N 3.01Å; S234-L236 PolarHBondContact OG-O 2.87Å; S234-L236 VanDerWaalsContact OG-O 3.06Å
235	G	63	Low	79.3	Confident	69 Å²	69	54.1 Å²	54.1	71%	0.711	33%	0.329	S	S	*	.	S	Bend	trans	76.2	-9.7	-170	0	0	0	0	0	114.5
236	L	74.1	Confident	79.1	Confident	62 Å²	62	52.9 Å²	52.9	33%	0.325	32%	0.323	S	S	.	.			trans	-102.7	138.9	173.7	-70.1	98.5	0	0	0	110.6	G231 S234 L240 E241 E244	G231-L236 WeakPolarHBondContact CA-O 3.34Å; S234-L236 PolarHBondContact O-N 3.07Å; S234-L236 PolarHBondContact OG-N 3.01Å; S234-L236 PolarHBondContact OG-O 2.87Å; S234-L236 VanDerWaalsContact OG-O 3.06Å; L236-L240 HydrophobicContact CD2-CD2 4.44Å; L236-L240 HydrophobicContact CD2-CG 4.07Å; L236-E241 HydrophobicContact CB-CB 4.16Å; L236-E244 HydrophobicContact CD2-CB 3.74Å; L236-E244 HydrophobicContact CD2-CG 3.49Å; L236-E244 VanDerWaalsContact CD2-CG 3.49Å
237	A	83.4	Confident	78.5	Confident	20 Å²	20	57.2 Å²	57.2	17%	0.165	34%	0.343	C	S	.	.			trans	-145.8	162.5	175	0	0	0	0	0	112.2	E229 G231 F239 L240 E241	E229-A237 HydrophobicContact CB-CB 3.9Å; E229-A237 WeakPolarHBondContact O-CB 3.36Å; G231-A237 VanDerWaalsContact CA-CB 3.45Å; A237-F239 PolarHBondContact O-N 3.04Å; A237-L240 PolarHBondContact O-N 2.93Å; A237-E241 PolarHBondContact O-N 3.19Å
238	G	90.8	Very high	77.5	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	60.2	-133.9	167.5	0	0	0	0	0	112.8	L226 E229 L240 E241 E242	L226-G238 VanDerWaalsContact O-CA 3.3Å; L226-G238 WeakPolarHBondContact O-CA 2.95Å; E229-G238 PolarHBondContact OE2-N 3.41Å; G238-L240 VanDerWaalsContact C-N 3.28Å; G238-L240 PolarHBondContact O-N 2.94Å; G238-E241 PolarHBondContact O-N 3.09Å; G238-E242 PolarHBondContact O-N 2.9Å; G238-E242 VanDerWaalsContact O-N 3.16Å
239	F	92.8	Very high	76.4	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-57.8	-38.7	-179.6	-75.4	-72.8	0	0	0	113.8	M223 L226 E227 A237 F243 E614 Y617 R618 Y621	M223-F239 HydrophobicContact CG-CZ 4.38Å; L226-F239 HydrophobicContact CB-CD1 4.4Å; L226-F239 HydrophobicContact CB-CD2 3.67Å; L226-F239 HydrophobicContact CB-CE1 4.24Å; L226-F239 HydrophobicContact CB-CE2 3.49Å; L226-F239 VanDerWaalsContact CB-CE2 3.49Å; L226-F239 HydrophobicContact CB-CG 4.13Å; L226-F239 HydrophobicContact CB-CZ 3.81Å; L226-F239 HydrophobicContact CD1-CD1 3.99Å; L226-F239 HydrophobicContact CD1-CE1 3.65Å; L226-F239 HydrophobicContact CD1-CE2 4.39Å; L226-F239 HydrophobicContact CD1-CG 4.5Å; L226-F239 HydrophobicContact CD1-CZ 3.88Å; L226-F239 PolarHBondContact O-N 3.33Å; E227-F239 HydrophobicContact CG-CD2 4.43Å; E227-F239 HydrophobicContact CG-CE2 3.78Å; A237-F239 PolarHBondContact O-N 3.04Å; F239-F243 VanDerWaalsContact O-CB 3.24Å; F239-F243 WeakPolarHBondContact O-CB 3.42Å; F239-F243 PolarHBondContact O-N 3.08Å; F239-E614 HydrophobicContact CB-CG 4.39Å; F239-Y617 AromaticContact CD1-CD1 3.95Å; F239-Y617 HydrophobicContact CD1-CD1 3.95Å; F239-Y617 AromaticContact CD1-CE1 3.98Å; F239-Y617 HydrophobicContact CD1-CE1 3.98Å; F239-R618 HydrophobicContact CD1-CB 4.24Å; F239-R618 HydrophobicContact CD1-CG 4.11Å; F239-R618 HydrophobicContact CD2-CG 4.17Å; F239-R618 HydrophobicContact CE1-CB 4.48Å; F239-R618 HydrophobicContact CE1-CG 4.08Å; F239-R618 HydrophobicContact CE2-CG 4.13Å; F239-R618 HydrophobicContact CG-CB 4.48Å; F239-R618 HydrophobicContact CG-CG 4.16Å; F239-R618 HydrophobicContact CZ-CG 4.09Å; F239-Y621 HydrophobicContact CD1-CD2 4.3Å; F239-Y621 HydrophobicContact CD1-CE2 4.42Å; F239-Y621 HydrophobicContact CE1-CD1 4.19Å; F239-Y621 AromaticContact CE1-CD2 3.59Å; F239-Y621 HydrophobicContact CE1-CD2 3.59Å; F239-Y621 AromaticContact CE1-CE2 3.93Å; F239-Y621 HydrophobicContact CE1-CE2 3.93Å; F239-Y621 AromaticContact CE1-CG 3.7Å; F239-Y621 HydrophobicContact CE1-CG 3.7Å; F239-Y621 HydrophobicContact CZ-CG 4.31Å
240	L	91	Very high	75.1	Confident	66 Å²	66	56 Å²	56	35%	0.346	35%	0.348	S	S	.	.	H	α-helix	trans	-71.2	-39.8	-177.2	-178.2	61.7	0	0	0	111.3	L236 A237 G238 F243 E244 E614	L236-L240 HydrophobicContact CD2-CD2 4.44Å; L236-L240 HydrophobicContact CD2-CG 4.07Å; A237-L240 PolarHBondContact O-N 2.93Å; G238-L240 VanDerWaalsContact C-N 3.28Å; G238-L240 PolarHBondContact O-N 2.94Å; L240-F243 PolarHBondContact O-N 3.28Å; L240-E244 HydrophobicContact CD1-CG 4.12Å; L240-E244 HydrophobicContact CG-CG 4.48Å; L240-E244 WeakPolarHBondContact O-CB 3.38Å; L240-E244 VanDerWaalsContact O-CG 3.31Å; L240-E244 WeakPolarHBondContact O-CG 3.43Å; L240-E244 PolarHBondContact O-N 2.87Å; L240-E614 HydrophobicContact CD1-CG 4.3Å
241	E	90.9	Very high	74.8	Confident	23 Å²	23	57.4 Å²	57.4	11%	0.107	34%	0.343	C	S	.	.	H	α-helix	trans	-58.5	-56.2	173	176.2	-144.5	166.1	0	0	110.9	R113 N210 L236 A237 G238 F243 E244 E245	R113-E241 IonicContact CZ-OE2 3.99Å; R113-E241 IonicContact NH1-OE1 3.08Å; R113-E241 IonicContact NH1-OE2 3.96Å; R113-E241 PolarHBondContact NH1-OE2 3.11Å; R113-E241 IonicContact NH2-OE1 3.44Å; R113-E241 IonicContact NH2-OE2 3.61Å; R113-E241 PolarHBondContact NH2-OE2 2.93Å; N210-E241 PolarHBondContact ND2-OE1 2.62Å; L236-E241 HydrophobicContact CB-CB 4.16Å; A237-E241 PolarHBondContact O-N 3.19Å; G238-E241 PolarHBondContact O-N 3.09Å; E241-F243 PolarHBondContact O-N 2.99Å; E241-E244 PolarHBondContact O-N 3.41Å; E241-E244 VanDerWaalsContact O-N 3.13Å; E241-E245 WeakPolarHBondContact O-CG 3.33Å; E241-E245 PolarHBondContact O-N 2.91Å
242	E	92.2	Very high	74.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-56.5	-41.6	-179.5	-68.8	-167.2	165	0	0	111.8	R113 T212 R222 L226 G238 E245 L246 Y617 Y621	R113-E242 IonicContact CZ-OE1 2.9Å; R113-E242 IonicContact NE-OE1 2.7Å; R113-E242 IonicContact NH2-OE1 3.41Å; R113-E242 PolarHBondContact NH2-OE1 3.02Å; T212-E242 HydrophobicContact CG2-CG 4.25Å; R222-E242 IonicContact CZ-OE1 3.14Å; R222-E242 IonicContact NE-OE1 2.75Å; R222-E242 IonicContact NH2-OE1 3.2Å; R222-E242 PolarHBondContact NH2-OE1 2.99Å; L226-E242 HydrophobicContact CD2-CG 4.39Å; G238-E242 PolarHBondContact O-N 2.9Å; G238-E242 VanDerWaalsContact O-N 3.16Å; E242-E245 PolarHBondContact O-N 3.1Å; E242-L246 PolarHBondContact O-N 3.33Å; E242-Y617 HydrophobicContact CB-CE1 3.94Å; E242-Y617 PolarHBondContact OE2-OH 2.87Å; E242-Y621 PolarHBondContact OE2-OH 3.05Å
243	F	92.7	Very high	75.1	Confident	10 Å²	10	58.1 Å²	58.1	4%	0.044	34%	0.338	C	S	.	.	H	α-helix	trans	-68.8	-36.4	-179.9	-178	-106.2	0	0	0	113	F239 L240 E241 L246 H247 V611 E614 Y617	F239-F243 VanDerWaalsContact O-CB 3.24Å; F239-F243 WeakPolarHBondContact O-CB 3.42Å; F239-F243 PolarHBondContact O-N 3.08Å; L240-F243 PolarHBondContact O-N 3.28Å; E241-F243 PolarHBondContact O-N 2.99Å; F243-L246 HydrophobicContact CD2-CD1 3.98Å; F243-L246 HydrophobicContact CE2-CD1 4.49Å; F243-L246 WeakPolarHBondContact O-CB 3.34Å; F243-L246 PolarHBondContact O-N 3.03Å; F243-H247 AromaticContact CE1-CE1 3.49Å; F243-H247 VanDerWaalsContact CE1-CE1 3.49Å; F243-H247 WeakPolarHBondContact CE1-CE1 3.47Å; F243-H247 AromaticContact CZ-CE1 3.54Å; F243-H247 PolarHBondContact O-ND1 3.13Å; F243-H247 VanDerWaalsContact O-ND1 3.12Å; F243-V611 HydrophobicContact CE2-CG1 4.42Å; F243-E614 HydrophobicContact CB-CB 4.49Å; F243-E614 HydrophobicContact CB-CG 4.34Å; F243-E614 HydrophobicContact CD1-CB 3.84Å; F243-E614 HydrophobicContact CE1-CB 4.33Å; F243-E614 VanDerWaalsContact CE1-N 3.32Å; F243-E614 HydrophobicContact CG-CB 4.16Å; F243-Y617 HydrophobicContact CB-CD1 4.28Å; F243-Y617 HydrophobicContact CB-CG 4.31Å; F243-Y617 HydrophobicContact CD2-CD2 4.11Å; F243-Y617 AromaticContact CD2-CG 3.94Å; F243-Y617 HydrophobicContact CD2-CG 3.94Å
244	E	89.8	Confident	76.1	Confident	64 Å²	64	60.5 Å²	60.5	30%	0.299	33%	0.329	S	S	.	.	H	α-helix	trans	-72.7	-30.9	176.3	-74.4	-64.1	156.3	0	0	112.2	L236 L240 E241 L246 H247	L236-E244 HydrophobicContact CD2-CB 3.74Å; L236-E244 HydrophobicContact CD2-CG 3.49Å; L236-E244 VanDerWaalsContact CD2-CG 3.49Å; L240-E244 HydrophobicContact CD1-CG 4.12Å; L240-E244 HydrophobicContact CG-CG 4.48Å; L240-E244 WeakPolarHBondContact O-CB 3.38Å; L240-E244 VanDerWaalsContact O-CG 3.31Å; L240-E244 WeakPolarHBondContact O-CG 3.43Å; L240-E244 PolarHBondContact O-N 2.87Å; E241-E244 PolarHBondContact O-N 3.41Å; E241-E244 VanDerWaalsContact O-N 3.13Å; E244-L246 VanDerWaalsContact C-N 3.26Å; E244-L246 PolarHBondContact O-N 3.09Å; E244-H247 PolarHBondContact O-N 2.96Å; E244-H247 VanDerWaalsContact O-N 3.08Å; E244-H247 IonicContact OE2-ND1 2.73Å
245	E	86.4	Confident	77.6	Confident	46 Å²	46	59.5 Å²	59.5	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-32.9	173	-70.6	-168.7	150	0	0	112.3	R131 E241 E242 H247 Q248	R131-E245 IonicContact CZ-OE1 3.46Å; R131-E245 IonicContact NH2-OE1 2.68Å; R131-E245 PolarHBondContact NH2-OE1 3.11Å; E241-E245 WeakPolarHBondContact O-CG 3.33Å; E241-E245 PolarHBondContact O-N 2.91Å; E242-E245 PolarHBondContact O-N 3.1Å; E245-H247 PolarHBondContact O-N 3.37Å; E245-H247 VanDerWaalsContact O-N 3.08Å; E245-Q248 PolarHBondContact O-N 3.06Å
246	L	85.6	Confident	79	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-59.2	-20.3	172.4	-66.8	173.2	0	0	0	114.4	E242 F243 E244 S597 I600 Q601 R604 Y617	E242-L246 PolarHBondContact O-N 3.33Å; F243-L246 HydrophobicContact CD2-CD1 3.98Å; F243-L246 HydrophobicContact CE2-CD1 4.49Å; F243-L246 WeakPolarHBondContact O-CB 3.34Å; F243-L246 PolarHBondContact O-N 3.03Å; E244-L246 VanDerWaalsContact C-N 3.26Å; E244-L246 PolarHBondContact O-N 3.09Å; L246-S597 VanDerWaalsContact CD2-OG 3.23Å; L246-S597 WeakPolarHBondContact CD2-OG 3.26Å; L246-I600 HydrophobicContact CD1-CB 4.47Å; L246-I600 HydrophobicContact CD1-CD1 4.4Å; L246-I600 HydrophobicContact CD1-CG2 4.05Å; L246-I600 HydrophobicContact CD2-CG2 4.47Å; L246-Q601 HydrophobicContact CD2-CG 3.42Å; L246-Q601 VanDerWaalsContact CD2-CG 3.42Å; L246-R604 PolarHBondContact O-NH1 3.02Å; L246-Y617 HydrophobicContact CD1-CD2 3.91Å; L246-Y617 HydrophobicContact CD1-CE2 3.86Å
247	H	79.1	Confident	80	Confident	97 Å²	97	59 Å²	59	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-89.5	-19.1	178.3	-65.5	92.9	0	0	0	113.1	F243 E244 E245	F243-H247 AromaticContact CE1-CE1 3.49Å; F243-H247 VanDerWaalsContact CE1-CE1 3.49Å; F243-H247 WeakPolarHBondContact CE1-CE1 3.47Å; F243-H247 AromaticContact CZ-CE1 3.54Å; F243-H247 PolarHBondContact O-ND1 3.13Å; F243-H247 VanDerWaalsContact O-ND1 3.12Å; E244-H247 PolarHBondContact O-N 2.96Å; E244-H247 VanDerWaalsContact O-N 3.08Å; E244-H247 IonicContact OE2-ND1 2.73Å; E245-H247 PolarHBondContact O-N 3.37Å; E245-H247 VanDerWaalsContact O-N 3.08Å
248	Q	68.6	Low	80.5	Confident	114 Å²	114	61.7 Å²	61.7	53%	0.533	32%	0.315	S	S	.	.	H	α-helix	trans	-82	-24.3	-175.8	-66.7	172.5	31.4	0	0	112.1	E245 A250	E245-Q248 PolarHBondContact O-N 3.06Å; Q248-A250 PolarHBondContact O-N 3.12Å
249	E	60.1	Low	80.8	Confident	85 Å²	85	64 Å²	64	40%	0.397	33%	0.326	S	S	.	.			trans	-70.7	112.5	-177	-70.8	178.5	-179.2	0	0	112.5	H251 Q601	E249-H251 VanDerWaalsContact C-N 3.26Å; E249-H251 PolarHBondContact O-N 3.48Å; E249-Q601 VanDerWaalsContact CD-CD 3.46Å; E249-Q601 PolarHBondContact OE1-NE2 3.35Å; E249-Q601 WeakPolarHBondContact OE2-CG 3.39Å; E249-Q601 PolarHBondContact OE2-NE2 3.18Å; E249-Q601 PolarHBondContact OE2-OE1 3.3Å
250	A	53.5	Low	80.9	Confident	61 Å²	61	63.9 Å²	63.9	50%	0.504	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-70.5	-12.5	-166.7	0	0	0	0	0	115.2	Q248 V252 K253	Q248-A250 PolarHBondContact O-N 3.12Å; A250-V252 PolarHBondContact O-N 2.81Å; A250-K253 WeakPolarHBondContact O-CB 3.23Å; A250-K253 PolarHBondContact O-N 2.95Å
251	H	55.7	Low	81.1	Confident	130 Å²	130	67.1 Å²	67.1	60%	0.602	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-57.8	-27.6	-171.6	-72.8	-65.4	0	0	0	113.7	E249 K253	E249-H251 VanDerWaalsContact C-N 3.26Å; E249-H251 PolarHBondContact O-N 3.48Å; H251-K253 VanDerWaalsContact C-N 3.3Å; H251-K253 PolarHBondContact O-N 2.75Å
252	V	58.5	Low	81.4	Confident	40 Å²	40	68.8 Å²	68.8	24%	0.242	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-70.4	-23	177.2	173.2	0	0	0	0	113.2	A250 N254 F277 R604	A250-V252 PolarHBondContact O-N 2.81Å; V252-N254 VanDerWaalsContact C-N 3.33Å; V252-N254 PolarHBondContact O-N 3.15Å; V252-F277 HydrophobicContact CG1-CZ 4.11Å; V252-R604 HydrophobicContact CG2-CB 4.36Å
253	K	62.5	Low	81.6	Confident	170 Å²	170	73.7 Å²	73.7	74%	0.739	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-74.2	-22.5	-175.2	-69.3	-174.9	179.5	177	0	113.3	A250 H251	A250-K253 WeakPolarHBondContact O-CB 3.23Å; A250-K253 PolarHBondContact O-N 2.95Å; H251-K253 VanDerWaalsContact C-N 3.3Å; H251-K253 PolarHBondContact O-N 2.75Å
254	N	73.5	Confident	81.8	Confident	139 Å²	139	77.4 Å²	77.4	74%	0.743	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-95.5	-4.7	-172.6	-66.9	-5.6	0	0	0	114.2	V252	V252-N254 VanDerWaalsContact C-N 3.33Å; V252-N254 PolarHBondContact O-N 3.15Å
255	N	86.1	Confident	82.1	Confident	40 Å²	40	74.4 Å²	74.4	21%	0.214	38%	0.376	C	S	.	.	S	Bend	trans	-83.4	121.6	-179.4	-72.7	-20.2	0	0	0	110.9	F277 E605	N255-F277 HydrophobicContact CB-CD1 3.35Å; N255-F277 HydrophobicContact CB-CD2 4.41Å; N255-F277 HydrophobicContact CB-CE1 3.39Å; N255-F277 HydrophobicContact CB-CE2 4.47Å; N255-F277 HydrophobicContact CB-CG 3.89Å; N255-F277 HydrophobicContact CB-CZ 3.97Å; N255-E605 PolarHBondContact ND2-O 3.34Å
256	P	91.9	Very high	82.6	Confident	68 Å²	68	80.5 Å²	80.5	44%	0.442	40%	0.397	S	S	.	.			trans	-67.6	150.1	-178	29.3	-35.3	0	0	0	111.8	V258 F277 D278	P256-V258 HydrophobicContact CB-CG2 4.18Å; P256-F277 WeakPolarHBondContact O-CA 3.44Å; P256-D278 VanDerWaalsContact C-OD2 3.31Å; P256-D278 WeakPolarHBondContact CB-OD2 3.48Å; P256-D278 PolarHBondContact O-N 2.91Å
257	R	93.9	Very high	83.1	Confident	51 Å²	51	84.2 Å²	84.2	19%	0.192	42%	0.417	C	S	.	.			trans	-135.4	31.6	178.1	-54.7	-174.9	-175.8	85.1	-8.9	110.6	E259 G260 Y261 L275 P276 F277 D278 S608	R257-E259 VanDerWaalsContact C-N 3.31Å; R257-E259 PolarHBondContact O-N 3.04Å; R257-G260 PolarHBondContact O-N 3.21Å; R257-Y261 HydrophobicContact CB-CD2 4.3Å; R257-Y261 HydrophobicContact CB-CE2 4.12Å; R257-Y261 WeakPolarHBondContact O-CD2 3.48Å; R257-Y261 PolarHBondContact O-N 3.18Å; R257-L275 HydrophobicContact CB-CB 4.2Å; R257-P276 WeakPolarHBondContact CG-O 3.24Å; R257-F277 HydrophobicContact CG-CD1 3.89Å; R257-F277 HydrophobicContact CG-CE1 4.46Å; R257-F277 VanDerWaalsContact CZ-CE1 3.46Å; R257-F277 VanDerWaalsContact NH2-CE1 3.27Å; R257-D278 VanDerWaalsContact C-OD1 3.24Å; R257-D278 WeakPolarHBondContact CA-OD1 3.49Å; R257-D278 PolarHBondContact N-OD2 2.75Å; R257-S608 PolarHBondContact NE-OG 3.41Å; R257-S608 PolarHBondContact NH2-OG 3.49Å; R257-S608 VanDerWaalsContact NH2-OG 3.08Å
258	V	95.3	Very high	84	Confident	77 Å²	77	80.8 Å²	80.8	47%	0.467	40%	0.401	S	S	.	.	H	α-helix	trans	-58.9	-44.4	-168.5	178.4	0	0	0	0	110.2	P256 G260 Y261 Q262 D278	P256-V258 HydrophobicContact CB-CG2 4.18Å; V258-G260 VanDerWaalsContact C-N 3.29Å; V258-G260 PolarHBondContact O-N 2.97Å; V258-Y261 PolarHBondContact O-N 3.35Å; V258-Q262 PolarHBondContact O-N 3.27Å; V258-D278 WeakPolarHBondContact CB-OD2 3.28Å; V258-D278 VanDerWaalsContact N-CG 3.35Å; V258-D278 PolarHBondContact N-OD1 2.66Å; V258-D278 VanDerWaalsContact N-OD1 3.14Å; V258-D278 PolarHBondContact N-OD2 3.33Å
259	E	96.1	Very high	85.3	Confident	51 Å²	51	76.2 Å²	76.2	24%	0.238	38%	0.38	C	S	.	.	H	α-helix	trans	-62.8	-37.2	-177.2	-63.4	-52.9	146.9	0	0	112.2	R257 Y261 Q262 N265 D278 Y296	R257-E259 VanDerWaalsContact C-N 3.31Å; R257-E259 PolarHBondContact O-N 3.04Å; E259-Y261 VanDerWaalsContact C-N 3.29Å; E259-Y261 PolarHBondContact O-N 2.91Å; E259-Q262 WeakPolarHBondContact O-CG 3.37Å; E259-Q262 PolarHBondContact O-N 3.24Å; E259-N265 PolarHBondContact O-ND2 3.26Å; E259-D278 PolarHBondContact N-OD1 3.31Å; E259-Y296 HydrophobicContact CB-CD2 4.14Å; E259-Y296 HydrophobicContact CB-CE2 4.14Å
260	G	96	Very high	87.1	Confident	3 Å²	3	74.4 Å²	74.4	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-71	-21.8	177.1	0	0	0	0	0	114.4	R257 V258 N269 Y296	R257-G260 PolarHBondContact O-N 3.21Å; V258-G260 VanDerWaalsContact C-N 3.29Å; V258-G260 PolarHBondContact O-N 2.97Å; G260-N269 PolarHBondContact O-ND2 2.98Å; G260-N269 VanDerWaalsContact O-ND2 3.15Å; G260-Y296 VanDerWaalsContact CA-OH 3.29Å; G260-Y296 WeakPolarHBondContact CA-OH 3.22Å
261	Y	95.6	Very high	89.1	Confident	133 Å²	133	75.5 Å²	75.5	52%	0.522	36%	0.362	S	S	.	.	H	α-helix	trans	-88.4	-9.4	178	-79	-61.2	0	0	0	113.8	R257 V258 E259 S263 L275	R257-Y261 HydrophobicContact CB-CD2 4.3Å; R257-Y261 HydrophobicContact CB-CE2 4.12Å; R257-Y261 WeakPolarHBondContact O-CD2 3.48Å; R257-Y261 PolarHBondContact O-N 3.18Å; V258-Y261 PolarHBondContact O-N 3.35Å; E259-Y261 VanDerWaalsContact C-N 3.29Å; E259-Y261 PolarHBondContact O-N 2.91Å; Y261-S263 PolarHBondContact O-N 2.87Å; Y261-L275 HydrophobicContact CD1-CD1 3.6Å; Y261-L275 HydrophobicContact CD2-CD1 3.76Å; Y261-L275 HydrophobicContact CE1-CD1 3.47Å; Y261-L275 VanDerWaalsContact CE1-CD1 3.47Å; Y261-L275 HydrophobicContact CE2-CD1 3.65Å; Y261-L275 HydrophobicContact CG-CD1 3.72Å; Y261-L275 VanDerWaalsContact CZ-CD1 3.49Å
262	Q	97.2	Very high	90.9	Very high	59 Å²	59	75.6 Å²	75.6	28%	0.276	36%	0.36	S	S	.	.	S	Bend	trans	-57.5	139.2	177.6	-61	-65.5	0.4	0	0	111	V258 E259 Y264 N265 R266	V258-Q262 PolarHBondContact O-N 3.27Å; E259-Q262 WeakPolarHBondContact O-CG 3.37Å; E259-Q262 PolarHBondContact O-N 3.24Å; Q262-Y264 VanDerWaalsContact C-N 3.27Å; Q262-Y264 HydrophobicContact CB-CD1 4.29Å; Q262-Y264 HydrophobicContact CB-CD2 4.14Å; Q262-Y264 HydrophobicContact CB-CE1 3.88Å; Q262-Y264 HydrophobicContact CB-CE2 3.7Å; Q262-Y264 HydrophobicContact CB-CG 4.42Å; Q262-Y264 HydrophobicContact CG-CE1 4.29Å; Q262-Y264 HydrophobicContact CG-CE2 4.11Å; Q262-Y264 WeakPolarHBondContact CG-OH 3.34Å; Q262-Y264 PolarHBondContact O-N 3Å; Q262-N265 HydrophobicContact CB-CB 4.3Å; Q262-N265 PolarHBondContact O-N 3.2Å; Q262-R266 PolarHBondContact O-N 2.94Å
263	S	96.5	Very high	92.4	Very high	102 Å²	102	80.1 Å²	80.1	71%	0.713	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-58.3	-40	-175.9	52.8	0	0	0	0	112.3	Y261 N265 R266	Y261-S263 PolarHBondContact O-N 2.87Å; S263-N265 VanDerWaalsContact C-N 3.27Å; S263-N265 PolarHBondContact O-N 3.26Å; S263-R266 WeakPolarHBondContact O-CB 3.46Å; S263-R266 PolarHBondContact O-N 3.36Å
264	Y	95.5	Very high	93.9	Very high	89 Å²	89	73.4 Å²	73.4	35%	0.349	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-76.5	-4.7	178.2	53.5	-102.3	0	0	0	114.7	Q262 P292	Q262-Y264 VanDerWaalsContact C-N 3.27Å; Q262-Y264 HydrophobicContact CB-CD1 4.29Å; Q262-Y264 HydrophobicContact CB-CD2 4.14Å; Q262-Y264 HydrophobicContact CB-CE1 3.88Å; Q262-Y264 HydrophobicContact CB-CE2 3.7Å; Q262-Y264 HydrophobicContact CB-CG 4.42Å; Q262-Y264 HydrophobicContact CG-CE1 4.29Å; Q262-Y264 HydrophobicContact CG-CE2 4.11Å; Q262-Y264 WeakPolarHBondContact CG-OH 3.34Å; Q262-Y264 PolarHBondContact O-N 3Å; Y264-P292 HydrophobicContact CD1-CB 3.93Å; Y264-P292 VanDerWaalsContact CD2-C 3.49Å; Y264-P292 HydrophobicContact CD2-CB 4.03Å; Y264-P292 VanDerWaalsContact CD2-O 3.29Å; Y264-P292 WeakPolarHBondContact CD2-O 3.47Å; Y264-P292 HydrophobicContact CE1-CB 3.88Å; Y264-P292 HydrophobicContact CE2-CB 3.99Å; Y264-P292 HydrophobicContact CG-CB 3.99Å
265	N	97.5	Very high	95	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-107.9	-5.3	174.3	-70.9	-26	0	0	0	112.9	E259 Q262 S263 D267 K268 N269 G293 Y296	E259-N265 PolarHBondContact O-ND2 3.26Å; Q262-N265 HydrophobicContact CB-CB 4.3Å; Q262-N265 PolarHBondContact O-N 3.2Å; S263-N265 VanDerWaalsContact C-N 3.27Å; S263-N265 PolarHBondContact O-N 3.26Å; N265-D267 PolarHBondContact O-N 3.22Å; N265-K268 WeakPolarHBondContact O-CB 3.32Å; N265-K268 PolarHBondContact O-N 2.9Å; N265-K268 PolarHBondContact OD1-NZ 3.46Å; N265-N269 PolarHBondContact O-N 2.95Å; N265-N269 PolarHBondContact O-ND2 2.71Å; N265-G293 WeakPolarHBondContact OD1-CA 3.49Å; N265-Y296 HydrophobicContact CB-CD1 3.8Å; N265-Y296 HydrophobicContact CB-CD2 4.26Å; N265-Y296 HydrophobicContact CB-CE1 3.95Å; N265-Y296 HydrophobicContact CB-CE2 4.42Å; N265-Y296 HydrophobicContact CB-CG 3.98Å; N265-Y296 WeakPolarHBondContact ND2-CD2 3.27Å; N265-Y296 VanDerWaalsContact OD1-CB 3.31Å; N265-Y296 WeakPolarHBondContact OD1-CB 3.36Å
266	R	95.9	Very high	95.6	Very high	174 Å²	174	65 Å²	65	66%	0.657	31%	0.305	S	S	*	.	S	Bend	trans	-64.5	-37.5	-170.6	-178.3	177	163.4	-179.8	-7.8	113.5	Q262 S263 N269	Q262-R266 PolarHBondContact O-N 2.94Å; S263-R266 WeakPolarHBondContact O-CB 3.46Å; S263-R266 PolarHBondContact O-N 3.36Å; R266-N269 PolarHBondContact O-N 2.83Å
267	D	96.2	Very high	95.8	Very high	85 Å²	85	61.8 Å²	61.8	46%	0.455	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-18.7	-179.9	67.8	-33.9	0	0	0	113.2	N265 N269 N374	N265-D267 PolarHBondContact O-N 3.22Å; D267-N269 PolarHBondContact O-N 3.3Å; D267-N374 PolarHBondContact OD2-ND2 3.24Å
268	K	97.1	Very high	95.9	Very high	26 Å²	26	60.7 Å²	60.7	11%	0.113	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.9	167.9	-57.2	173.9	-174.1	160.5	0	112.1	N265 G293 Y296 Q369	N265-K268 WeakPolarHBondContact O-CB 3.32Å; N265-K268 PolarHBondContact O-N 2.9Å; N265-K268 PolarHBondContact OD1-NZ 3.46Å; K268-G293 VanDerWaalsContact NZ-C 3.3Å; K268-G293 PolarHBondContact NZ-O 3.41Å; K268-Y296 HydrophobicContact CB-CD1 4.06Å; K268-Y296 HydrophobicContact CB-CE1 4.16Å; K268-Y296 HydrophobicContact CD-CD1 3.97Å; K268-Q369 PolarHBondContact O-NE2 3.38Å
269	N	97.4	Very high	95.9	Very high	17 Å²	17	64.1 Å²	64.1	9%	0.091	29%	0.287	C	S	.	.			trans	-98.8	126.6	179.8	-72.9	-52.4	0	0	0	112.3	G260 N265 R266 D267 L275 Y296 N298	G260-N269 PolarHBondContact O-ND2 2.98Å; G260-N269 VanDerWaalsContact O-ND2 3.15Å; N265-N269 PolarHBondContact O-N 2.95Å; N265-N269 PolarHBondContact O-ND2 2.71Å; R266-N269 PolarHBondContact O-N 2.83Å; D267-N269 PolarHBondContact O-N 3.3Å; N269-L275 HydrophobicContact CB-CD2 4.04Å; N269-L275 VanDerWaalsContact CG-CD2 3.41Å; N269-L275 WeakPolarHBondContact ND2-CD2 3.23Å; N269-Y296 PolarHBondContact ND2-OH 2.82Å; N269-Y296 PolarHBondContact OD1-OH 3.09Å; N269-N298 WeakPolarHBondContact OD1-CB 2.95Å; N269-N298 PolarHBondContact OD1-ND2 2.96Å
270	R	96.5	Very high	95.8	Very high	47 Å²	47	62 Å²	62	18%	0.177	28%	0.278	C	S	.	.	S	Bend	trans	-69.3	-35.3	176.4	-178.7	174.5	-77.8	-81.5	-3.6	112.5	G370 A371 V372 N403 K404 S566	R270-G370 PolarHBondContact NE-O 3.48Å; R270-G370 PolarHBondContact NH2-O 2.95Å; R270-A371 PolarHBondContact NH2-O 3.16Å; R270-V372 HydrophobicContact CB-CG1 3.82Å; R270-V372 HydrophobicContact CG-CG1 4.22Å; R270-N403 PolarHBondContact NH1-O 3.31Å; R270-K404 PolarHBondContact NE-O 2.97Å; R270-K404 PolarHBondContact NH1-O 2.96Å; R270-K404 PolarHBondContact NH2-O 3.32Å; R270-S566 VanDerWaalsContact CD-O 3.3Å; R270-S566 WeakPolarHBondContact CD-O 3.3Å
271	Y	95.7	Very high	95.8	Very high	84 Å²	84	62.4 Å²	62.4	33%	0.329	28%	0.279	S	S	.	.	S	Bend	trans	-131.8	128.9	-178.8	-60.1	-78	0	0	0	110.7	H273 I274 S566 A567	Y271-H273 PolarHBondContact O-N 3.37Å; Y271-H273 VanDerWaalsContact O-N 3.1Å; Y271-I274 HydrophobicContact CD2-CD1 3.94Å; Y271-I274 HydrophobicContact CG-CD1 3.95Å; Y271-I274 PolarHBondContact O-N 3.25Å; Y271-S566 PolarHBondContact OH-OG 2.7Å; Y271-A567 HydrophobicContact CD2-CB 3.77Å; Y271-A567 VanDerWaalsContact CE2-CA 3.5Å; Y271-A567 HydrophobicContact CE2-CB 3.52Å
272	K	93.7	Very high	96	Very high	133 Å²	133	56 Å²	56	58%	0.578	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-29.3	-176.6	-172.2	-178.6	177.8	-172.3	0	114.4
273	H	90.1	Very high	96	Very high	135 Å²	135	57.9 Å²	57.9	63%	0.625	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	5.9	-173.6	-60.2	-69.2	0	0	0	113.7	Y271	Y271-H273 PolarHBondContact O-N 3.37Å; Y271-H273 VanDerWaalsContact O-N 3.1Å
274	I	95.3	Very high	96	Very high	28 Å²	28	53.3 Å²	53.3	14%	0.144	23%	0.228	C	C	.	.			trans	-116.7	79.8	177.9	-52.3	175.7	0	0	0	107.2	Y271 N298 A567 I569	Y271-I274 HydrophobicContact CD2-CD1 3.94Å; Y271-I274 HydrophobicContact CG-CD1 3.95Å; Y271-I274 PolarHBondContact O-N 3.25Å; I274-N298 PolarHBondContact O-ND2 3.31Å; I274-A567 HydrophobicContact CD1-CB 3.61Å; I274-I569 HydrophobicContact CD1-CD1 3.82Å; I274-I569 HydrophobicContact CD1-CG1 4.46Å; I274-I569 HydrophobicContact CG1-CD1 4.19Å; I274-I569 HydrophobicContact CG2-CD1 3.85Å; I274-I569 HydrophobicContact CG2-CG1 4.28Å; I274-I569 HydrophobicContact CG2-CG2 3.95Å
275	L	96.5	Very high	96	Very high	3 Å²	3	56 Å²	56	2%	0.016	25%	0.248	C	C	.	.			trans	-110.1	149.9	-176.1	-57.9	176.8	0	0	0	109.7	R257 Y261 N269	R257-L275 HydrophobicContact CB-CB 4.2Å; Y261-L275 HydrophobicContact CD1-CD1 3.6Å; Y261-L275 HydrophobicContact CD2-CD1 3.76Å; Y261-L275 HydrophobicContact CE1-CD1 3.47Å; Y261-L275 VanDerWaalsContact CE1-CD1 3.47Å; Y261-L275 HydrophobicContact CE2-CD1 3.65Å; Y261-L275 HydrophobicContact CG-CD1 3.72Å; Y261-L275 VanDerWaalsContact CZ-CD1 3.49Å; N269-L275 HydrophobicContact CB-CD2 4.04Å; N269-L275 VanDerWaalsContact CG-CD2 3.41Å; N269-L275 WeakPolarHBondContact ND2-CD2 3.23Å
276	P	97.5	Very high	95.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	25%	0.254	C	S	.	.			trans	-66	150.7	176.1	31.7	-35.7	0	0	0	110.2	R257 Q281 Y296 N300	R257-P276 WeakPolarHBondContact CG-O 3.24Å; P276-Q281 HydrophobicContact CB-CG 4.16Å; P276-Q281 HydrophobicContact CG-CG 4.11Å; P276-Y296 WeakPolarHBondContact CD-OH 3.36Å; P276-Y296 HydrophobicContact CG-CE2 4.24Å; P276-N300 WeakPolarHBondContact CA-OD1 3.48Å; P276-N300 WeakPolarHBondContact CB-ND2 3.32Å; P276-N300 WeakPolarHBondContact CB-OD1 3.48Å
277	F	96.2	Very high	95.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.231	C	C	.	.			trans	-71.4	138.8	161.7	-60.7	-51.2	0	0	0	109.8	V252 N255 P256 R257 W279 S280 Q281 N300 R604 E605 Q606 S608	V252-F277 HydrophobicContact CG1-CZ 4.11Å; N255-F277 HydrophobicContact CB-CD1 3.35Å; N255-F277 HydrophobicContact CB-CD2 4.41Å; N255-F277 HydrophobicContact CB-CE1 3.39Å; N255-F277 HydrophobicContact CB-CE2 4.47Å; N255-F277 HydrophobicContact CB-CG 3.89Å; N255-F277 HydrophobicContact CB-CZ 3.97Å; P256-F277 WeakPolarHBondContact O-CA 3.44Å; R257-F277 HydrophobicContact CG-CD1 3.89Å; R257-F277 HydrophobicContact CG-CE1 4.46Å; R257-F277 VanDerWaalsContact CZ-CE1 3.46Å; R257-F277 VanDerWaalsContact NH2-CE1 3.27Å; F277-W279 VanDerWaalsContact C-N 3.28Å; F277-W279 PolarHBondContact O-N 2.86Å; F277-S280 PolarHBondContact O-N 2.94Å; F277-Q281 WeakPolarHBondContact O-CB 3.26Å; F277-Q281 PolarHBondContact O-N 2.93Å; F277-Q281 VanDerWaalsContact O-N 3.08Å; F277-N300 PolarHBondContact N-ND2 3.24Å; F277-N300 PolarHBondContact O-ND2 3.09Å; F277-R604 VanDerWaalsContact CE2-O 3.3Å; F277-R604 WeakPolarHBondContact CE2-O 3.46Å; F277-E605 VanDerWaalsContact CD2-O 3.28Å; F277-E605 WeakPolarHBondContact CD2-O 3.4Å; F277-E605 WeakPolarHBondContact CE2-O 3.33Å; F277-Q606 WeakPolarHBondContact CD2-O 3.32Å; F277-S608 VanDerWaalsContact CE2-N 3.34Å
278	D	96.2	Very high	95.3	Very high	28 Å²	28	47.1 Å²	47.1	15%	0.15	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-64.9	-34.6	-174.8	-57.7	-27.6	0	0	0	111.9	P256 R257 V258 E259 Q281	P256-D278 VanDerWaalsContact C-OD2 3.31Å; P256-D278 WeakPolarHBondContact CB-OD2 3.48Å; P256-D278 PolarHBondContact O-N 2.91Å; R257-D278 VanDerWaalsContact C-OD1 3.24Å; R257-D278 WeakPolarHBondContact CA-OD1 3.49Å; R257-D278 PolarHBondContact N-OD2 2.75Å; V258-D278 WeakPolarHBondContact CB-OD2 3.28Å; V258-D278 VanDerWaalsContact N-CG 3.35Å; V258-D278 PolarHBondContact N-OD1 2.66Å; V258-D278 VanDerWaalsContact N-OD1 3.14Å; V258-D278 PolarHBondContact N-OD2 3.33Å; E259-D278 PolarHBondContact N-OD1 3.31Å; D278-Q281 WeakPolarHBondContact O-CB 3.31Å; D278-Q281 PolarHBondContact O-N 3.16Å
279	W	94.7	Very high	95	Very high	150 Å²	150	51.2 Å²	51.2	57%	0.568	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-72.4	-30	-174.8	75.2	-98.4	0	0	0	113.8	F277 E605 Q606	F277-W279 VanDerWaalsContact C-N 3.28Å; F277-W279 PolarHBondContact O-N 2.86Å; W279-E605 VanDerWaalsContact CZ2-O 3.31Å; W279-E605 WeakPolarHBondContact CZ2-O 3.29Å; W279-Q606 HydrophobicContact CH2-CG 3.87Å; W279-Q606 HydrophobicContact CZ2-CG 4.18Å
280	S	94.5	Very high	94.8	Very high	5 Å²	5	58.9 Å²	58.9	4%	0.035	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-107.5	7.8	178.9	60.8	0	0	0	0	111.9	F277 N300 Y301 Q606	F277-S280 PolarHBondContact O-N 2.94Å; S280-N300 CarbonylContact O-C 3.56Å; S280-N300 WeakPolarHBondContact O-CA 3.3Å; S280-N300 PolarHBondContact O-ND2 3.46Å; S280-N300 PolarHBondContact OG-ND2 3.16Å; S280-Y301 PolarHBondContact O-N 3.43Å; S280-Q606 PolarHBondContact OG-O 3.02Å
281	Q	97.2	Very high	94.7	Very high	12 Å²	12	61.6 Å²	61.6	6%	0.056	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.9	-177.3	-169.6	-170.7	19.9	0	0	111	P276 F277 D278 K283 I297 A299 N300	P276-Q281 HydrophobicContact CB-CG 4.16Å; P276-Q281 HydrophobicContact CG-CG 4.11Å; F277-Q281 WeakPolarHBondContact O-CB 3.26Å; F277-Q281 PolarHBondContact O-N 2.93Å; F277-Q281 VanDerWaalsContact O-N 3.08Å; D278-Q281 WeakPolarHBondContact O-CB 3.31Å; D278-Q281 PolarHBondContact O-N 3.16Å; Q281-K283 PolarHBondContact O-N 3.5Å; Q281-I297 PolarHBondContact NE2-O 3.05Å; Q281-A299 WeakPolarHBondContact CA-O 3.19Å; Q281-N300 PolarHBondContact N-ND2 3.38Å
282	V	98.1	Very high	94.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	113	163	-175.6	0	0	0	0	108.9	I297 A299 Y301 I366 M382	V282-I297 HydrophobicContact CB-CG2 4.13Å; V282-I297 HydrophobicContact CG1-CG2 4.29Å; V282-I297 VanDerWaalsContact O-CG2 3.26Å; V282-I297 WeakPolarHBondContact O-CG2 3.28Å; V282-A299 HydrophobicContact CB-CB 4.07Å; V282-A299 HydrophobicContact CG2-CB 3.83Å; V282-A299 PolarHBondContact N-O 3.11Å; V282-Y301 HydrophobicContact CB-CE2 4.21Å; V282-Y301 HydrophobicContact CG1-CE2 4.49Å; V282-Y301 HydrophobicContact CG2-CD1 4.2Å; V282-Y301 HydrophobicContact CG2-CD2 4.07Å; V282-Y301 HydrophobicContact CG2-CE1 3.97Å; V282-Y301 HydrophobicContact CG2-CE2 3.83Å; V282-Y301 HydrophobicContact CG2-CG 4.25Å; V282-I366 HydrophobicContact CG2-CD1 4.14Å; V282-I366 HydrophobicContact CG2-CG1 4.15Å; V282-I366 HydrophobicContact CG2-CG2 3.91Å; V282-M382 HydrophobicContact CB-SD 4.25Å; V282-M382 HydrophobicContact CG1-CG 3.89Å; V282-M382 HydrophobicContact CG1-SD 4Å; V282-M382 HydrophobicContact CG2-SD 4.24Å
283	K	97.4	Very high	94.7	Very high	98 Å²	98	55.4 Å²	55.4	43%	0.426	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.5	173.4	-63.6	-170.1	178.3	-167	0	109.9	Q281 Q385	Q281-K283 PolarHBondContact O-N 3.5Å; K283-Q385 PolarHBondContact O-NE2 3.43Å; K283-Q385 VanDerWaalsContact O-NE2 3.08Å
284	L	97.1	Very high	95	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	26%	0.255	C	S	.	.			trans	-80.1	126.2	177.9	-54	174.3	0	0	0	109.4	D286 D295 I297 A378 R381 M382	L284-D286 VanDerWaalsContact C-N 3.32Å; L284-D295 PolarHBondContact N-O 3.31Å; L284-D295 WeakPolarHBondContact O-CB 3.23Å; L284-I297 HydrophobicContact CD1-CB 4.48Å; L284-I297 HydrophobicContact CD2-CG2 4.14Å; L284-I297 HydrophobicContact CG-CG2 4.15Å; L284-A378 HydrophobicContact CD1-CB 3.8Å; L284-R381 HydrophobicContact CD1-CB 4.25Å; L284-R381 HydrophobicContact CD2-CB 4.19Å; L284-M382 HydrophobicContact CD2-CB 3.79Å
285	L	94.4	Very high	95.1	Very high	147 Å²	147	51 Å²	51	77%	0.77	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.2	-174.3	-59.1	175.9	0	0	0	112.9	Q385	L285-Q385 HydrophobicContact CD1-CG 4.23Å; L285-Q385 VanDerWaalsContact CG-OE1 3.28Å
286	D	91.9	Very high	95.1	Very high	24 Å²	24	51 Å²	51	13%	0.128	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	27.6	-175.9	70.4	-22.2	0	0	0	112.9	L284 R381 N421 R448	L284-D286 VanDerWaalsContact C-N 3.32Å; D286-R381 VanDerWaalsContact C-NH2 3.27Å; D286-R381 VanDerWaalsContact CG-NE 3.35Å; D286-R381 PolarHBondContact O-NH2 3.42Å; D286-R381 IonicContact OD1-CZ 2.72Å; D286-R381 IonicContact OD1-NE 3.13Å; D286-R381 PolarHBondContact OD1-NE 3.44Å; D286-R381 IonicContact OD1-NH2 2.8Å; D286-R381 PolarHBondContact OD1-NH2 3.28Å; D286-R381 IonicContact OD2-NE 2.8Å; D286-R381 PolarHBondContact OD2-NE 3.08Å; D286-N421 PolarHBondContact OD2-ND2 2.91Å; D286-R448 IonicContact OD2-CZ 3.01Å; D286-R448 IonicContact OD2-NH1 3.74Å; D286-R448 PolarHBondContact OD2-NH1 2.8Å; D286-R448 IonicContact OD2-NH2 3.53Å; D286-R448 PolarHBondContact OD2-NH2 3.35Å
287	G	90.7	Very high	95.2	Very high	15 Å²	15	51.3 Å²	51.3	16%	0.155	27%	0.265	C	S	.	.			trans	-65	146.7	174	0	0	0	0	0	111.9	P289 S294 R381	G287-P289 VanDerWaalsContact O-CD 3.25Å; G287-P289 WeakPolarHBondContact O-CD 3.21Å; G287-S294 VanDerWaalsContact C-OG 3.3Å; G287-S294 VanDerWaalsContact CA-OG 3.26Å; G287-S294 WeakPolarHBondContact CA-OG 3.45Å; G287-R381 VanDerWaalsContact CA-NH2 3.28Å; G287-R381 VanDerWaalsContact N-NH2 3.15Å
288	N	93.6	Very high	95.3	Very high	33 Å²	33	51.3 Å²	51.3	18%	0.176	27%	0.265	C	S	.	.			trans	-65.8	116.3	167.4	-179.2	1.2	0	0	0	109.2	E290 E291 S294 Y422	N288-E290 PolarHBondContact O-N 3.49Å; N288-E290 VanDerWaalsContact O-N 3.12Å; N288-E290 PolarHBondContact OD1-N 3.1Å; N288-E291 HydrophobicContact CB-CB 3.97Å; N288-E291 PolarHBondContact O-N 3.11Å; N288-S294 PolarHBondContact N-OG 3.36Å; N288-S294 PolarHBondContact O-OG 3.31Å; N288-Y422 HydrophobicContact CB-CD2 3.71Å; N288-Y422 HydrophobicContact CB-CE2 4.39Å; N288-Y422 HydrophobicContact CB-CG 3.86Å
289	P	90.8	Very high	95.4	Very high	112 Å²	112	50 Å²	50	73%	0.727	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.1	-179.3	-22.3	34.3	0	0	0	113.9	G287	G287-P289 VanDerWaalsContact O-CD 3.25Å; G287-P289 WeakPolarHBondContact O-CD 3.21Å
290	E	93.2	Very high	95.6	Very high	178 Å²	178	42.9 Å²	42.9	83%	0.832	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.2	179	-58.5	-176.3	167.7	0	0	113.2	N288 P292	N288-E290 PolarHBondContact O-N 3.49Å; N288-E290 VanDerWaalsContact O-N 3.12Å; N288-E290 PolarHBondContact OD1-N 3.1Å; E290-P292 WeakPolarHBondContact O-CD 3.2Å
291	E	94.1	Very high	95.7	Very high	104 Å²	104	45.1 Å²	45.1	49%	0.486	24%	0.239	S	C	.	.	S	Bend	trans	-112.8	106.4	-176.9	-172.6	-172	164.4	0	0	110.7	N288 G293 S294	N288-E291 HydrophobicContact CB-CB 3.97Å; N288-E291 PolarHBondContact O-N 3.11Å; E291-G293 PolarHBondContact O-N 3.02Å; E291-S294 WeakPolarHBondContact O-CB 3.29Å; E291-S294 PolarHBondContact O-N 2.75Å; E291-S294 VanDerWaalsContact O-N 3.11Å; E291-S294 PolarHBondContact O-OG 3.01Å
292	P	94.8	Very high	95.7	Very high	81 Å²	81	44.6 Å²	44.6	53%	0.526	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	130.7	176.7	-27.7	35.8	0	0	0	113	Y264 E290 S294	Y264-P292 HydrophobicContact CD1-CB 3.93Å; Y264-P292 VanDerWaalsContact CD2-C 3.49Å; Y264-P292 HydrophobicContact CD2-CB 4.03Å; Y264-P292 VanDerWaalsContact CD2-O 3.29Å; Y264-P292 WeakPolarHBondContact CD2-O 3.47Å; Y264-P292 HydrophobicContact CE1-CB 3.88Å; Y264-P292 HydrophobicContact CE2-CB 3.99Å; Y264-P292 HydrophobicContact CG-CB 3.99Å; E290-P292 WeakPolarHBondContact O-CD 3.2Å; P292-S294 VanDerWaalsContact C-N 3.29Å; P292-S294 PolarHBondContact O-N 3.26Å
293	G	95.3	Very high	95.4	Very high	5 Å²	5	46.2 Å²	46.2	5%	0.052	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	10.2	-179.4	0	0	0	0	0	114.7	N265 K268 E291 D295 Y296	N265-G293 WeakPolarHBondContact OD1-CA 3.49Å; K268-G293 VanDerWaalsContact NZ-C 3.3Å; K268-G293 PolarHBondContact NZ-O 3.41Å; E291-G293 PolarHBondContact O-N 3.02Å; G293-D295 WeakPolarHBondContact CA-OD1 3.15Å; G293-D295 PolarHBondContact O-N 3.04Å; G293-Y296 VanDerWaalsContact O-CB 3.23Å; G293-Y296 WeakPolarHBondContact O-CB 3.48Å; G293-Y296 PolarHBondContact O-N 3.18Å
294	S	95.8	Very high	95	Very high	13 Å²	13	42.4 Å²	42.4	9%	0.091	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.8	171.5	66.7	0	0	0	0	113	G287 N288 E291 P292 R381	G287-S294 VanDerWaalsContact C-OG 3.3Å; G287-S294 VanDerWaalsContact CA-OG 3.26Å; G287-S294 WeakPolarHBondContact CA-OG 3.45Å; N288-S294 PolarHBondContact N-OG 3.36Å; N288-S294 PolarHBondContact O-OG 3.31Å; E291-S294 WeakPolarHBondContact O-CB 3.29Å; E291-S294 PolarHBondContact O-N 2.75Å; E291-S294 VanDerWaalsContact O-N 3.11Å; E291-S294 PolarHBondContact O-OG 3.01Å; P292-S294 VanDerWaalsContact C-N 3.29Å; P292-S294 PolarHBondContact O-N 3.26Å; S294-R381 VanDerWaalsContact O-CZ 3.3Å; S294-R381 PolarHBondContact O-NH1 2.82Å; S294-R381 PolarHBondContact O-NH2 3.21Å
295	D	96.5	Very high	94.2	Very high	58 Å²	58	43.3 Å²	43.3	31%	0.31	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.3	173.4	67.3	-31.6	0	0	0	113.5	L284 G293	L284-D295 PolarHBondContact N-O 3.31Å; L284-D295 WeakPolarHBondContact O-CB 3.23Å; G293-D295 WeakPolarHBondContact CA-OD1 3.15Å; G293-D295 PolarHBondContact O-N 3.04Å
296	Y	98.1	Very high	93.3	Very high	4 Å²	4	38 Å²	38	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.5	-171.1	-178.2	-93.8	0	0	0	113.6	E259 G260 N265 K268 N269 P276 G293 N298	E259-Y296 HydrophobicContact CB-CD2 4.14Å; E259-Y296 HydrophobicContact CB-CE2 4.14Å; G260-Y296 VanDerWaalsContact CA-OH 3.29Å; G260-Y296 WeakPolarHBondContact CA-OH 3.22Å; N265-Y296 HydrophobicContact CB-CD1 3.8Å; N265-Y296 HydrophobicContact CB-CD2 4.26Å; N265-Y296 HydrophobicContact CB-CE1 3.95Å; N265-Y296 HydrophobicContact CB-CE2 4.42Å; N265-Y296 HydrophobicContact CB-CG 3.98Å; N265-Y296 WeakPolarHBondContact ND2-CD2 3.27Å; N265-Y296 VanDerWaalsContact OD1-CB 3.31Å; N265-Y296 WeakPolarHBondContact OD1-CB 3.36Å; K268-Y296 HydrophobicContact CB-CD1 4.06Å; K268-Y296 HydrophobicContact CB-CE1 4.16Å; K268-Y296 HydrophobicContact CD-CD1 3.97Å; N269-Y296 PolarHBondContact ND2-OH 2.82Å; N269-Y296 PolarHBondContact OD1-OH 3.09Å; P276-Y296 WeakPolarHBondContact CD-OH 3.36Å; P276-Y296 HydrophobicContact CG-CE2 4.24Å; G293-Y296 VanDerWaalsContact O-CB 3.23Å; G293-Y296 WeakPolarHBondContact O-CB 3.48Å; G293-Y296 PolarHBondContact O-N 3.18Å; Y296-N298 HydrophobicContact CE1-CB 4.48Å
297	I	98.2	Very high	92.2	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.5	160.3	-176.3	162.5	0	0	0	110.4	Q281 V282 L284 A299 A378 F379 M382	Q281-I297 PolarHBondContact NE2-O 3.05Å; V282-I297 HydrophobicContact CB-CG2 4.13Å; V282-I297 HydrophobicContact CG1-CG2 4.29Å; V282-I297 VanDerWaalsContact O-CG2 3.26Å; V282-I297 WeakPolarHBondContact O-CG2 3.28Å; L284-I297 HydrophobicContact CD1-CB 4.48Å; L284-I297 HydrophobicContact CD2-CG2 4.14Å; L284-I297 HydrophobicContact CG-CG2 4.15Å; I297-A299 VanDerWaalsContact C-N 3.31Å; I297-A299 HydrophobicContact CG1-CB 4.37Å; I297-A299 HydrophobicContact CG2-CB 4.28Å; I297-A299 PolarHBondContact O-N 2.78Å; I297-A378 HydrophobicContact CD1-CB 4.37Å; I297-F379 HydrophobicContact CD1-CB 4.33Å; I297-M382 HydrophobicContact CD1-CB 4.13Å; I297-M382 HydrophobicContact CD1-CE 3.97Å; I297-M382 HydrophobicContact CD1-SD 3.92Å; I297-M382 HydrophobicContact CG2-SD 4.32Å
298	N	98.4	Very high	91.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	80.1	173	-171.9	-35.8	0	0	0	110.6	N269 I274 Y296 T368 Q369 R607	N269-N298 WeakPolarHBondContact OD1-CB 2.95Å; N269-N298 PolarHBondContact OD1-ND2 2.96Å; I274-N298 PolarHBondContact O-ND2 3.31Å; Y296-N298 HydrophobicContact CE1-CB 4.48Å; N298-T368 PolarHBondContact O-OG1 3.46Å; N298-Q369 HydrophobicContact CB-CG 4.05Å; N298-Q369 PolarHBondContact ND2-OE1 3.45Å; N298-Q369 PolarHBondContact O-N 2.87Å; N298-R607 PolarHBondContact OD1-NH1 3.47Å; N298-R607 PolarHBondContact OD1-NH2 3.34Å
299	A	98.7	Very high	90.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	149.2	177.7	0	0	0	0	0	110.4	Q281 V282 I297 I366 A367 M382	Q281-A299 WeakPolarHBondContact CA-O 3.19Å; V282-A299 HydrophobicContact CB-CB 4.07Å; V282-A299 HydrophobicContact CG2-CB 3.83Å; V282-A299 PolarHBondContact N-O 3.11Å; I297-A299 VanDerWaalsContact C-N 3.31Å; I297-A299 HydrophobicContact CG1-CB 4.37Å; I297-A299 HydrophobicContact CG2-CB 4.28Å; I297-A299 PolarHBondContact O-N 2.78Å; A299-I366 HydrophobicContact CB-CG2 3.82Å; A299-A367 WeakPolarHBondContact CA-O 3.31Å; A299-M382 HydrophobicContact CB-CE 4.47Å; A299-M382 HydrophobicContact CB-SD 3.64Å
300	N	98.1	Very high	89	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.4	172.7	-64.4	98.5	0	0	0	110.7	P276 F277 S280 Q281 I302 I366 A367 Q606 R607	P276-N300 WeakPolarHBondContact CA-OD1 3.48Å; P276-N300 WeakPolarHBondContact CB-ND2 3.32Å; P276-N300 WeakPolarHBondContact CB-OD1 3.48Å; F277-N300 PolarHBondContact N-ND2 3.24Å; F277-N300 PolarHBondContact O-ND2 3.09Å; S280-N300 CarbonylContact O-C 3.56Å; S280-N300 WeakPolarHBondContact O-CA 3.3Å; S280-N300 PolarHBondContact O-ND2 3.46Å; S280-N300 PolarHBondContact OG-ND2 3.16Å; Q281-N300 PolarHBondContact N-ND2 3.38Å; N300-I302 HydrophobicContact CB-CD1 4.36Å; N300-I366 WeakPolarHBondContact O-CA 3.38Å; N300-A367 PolarHBondContact N-O 2.81Å; N300-A367 PolarHBondContact O-N 3.14Å; N300-Q606 WeakPolarHBondContact CB-O 3.22Å; N300-R607 HydrophobicContact CB-CB 4.05Å; N300-R607 HydrophobicContact CB-CG 4.42Å; N300-R607 WeakPolarHBondContact OD1-CG 3.45Å; N300-R607 PolarHBondContact OD1-NH1 3.46Å
301	Y	97.9	Very high	87.6	Confident	53 Å²	53	30.4 Å²	30.4	21%	0.208	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135	164.2	-64.5	-71	0	0	0	110	S280 V282 P363 I366 E386	S280-Y301 PolarHBondContact O-N 3.43Å; V282-Y301 HydrophobicContact CB-CE2 4.21Å; V282-Y301 HydrophobicContact CG1-CE2 4.49Å; V282-Y301 HydrophobicContact CG2-CD1 4.2Å; V282-Y301 HydrophobicContact CG2-CD2 4.07Å; V282-Y301 HydrophobicContact CG2-CE1 3.97Å; V282-Y301 HydrophobicContact CG2-CE2 3.83Å; V282-Y301 HydrophobicContact CG2-CG 4.25Å; Y301-P363 HydrophobicContact CD1-CB 3.81Å; Y301-P363 HydrophobicContact CD1-CG 3.44Å; Y301-P363 VanDerWaalsContact CD1-CG 3.44Å; Y301-P363 HydrophobicContact CE1-CG 4.07Å; Y301-P363 HydrophobicContact CG-CB 4.19Å; Y301-P363 HydrophobicContact CG-CG 4.03Å; Y301-I366 HydrophobicContact CD1-CD1 4.27Å; Y301-I366 HydrophobicContact CD1-CG1 3.81Å; Y301-I366 HydrophobicContact CE1-CD1 3.94Å; Y301-I366 HydrophobicContact CE1-CG1 4.02Å; Y301-E386 PolarHBondContact OH-OE1 3.05Å; Y301-E386 PolarHBondContact OH-OE2 3.05Å
302	I	96	Very high	86.3	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.6	174.9	-47.5	-66.4	0	0	0	109.1	N300 R364 Y365 A367 I576 M580 V603 Q606 R607	N300-I302 HydrophobicContact CB-CD1 4.36Å; I302-R364 PolarHBondContact O-N 3.21Å; I302-Y365 HydrophobicContact CB-CD2 4.44Å; I302-Y365 HydrophobicContact CG2-CD2 4.5Å; I302-Y365 PolarHBondContact N-O 2.77Å; I302-Y365 PolarHBondContact O-N 3.04Å; I302-Y365 VanDerWaalsContact O-N 3.15Å; I302-A367 HydrophobicContact CD1-CB 4.19Å; I302-A367 HydrophobicContact CG1-CB 3.69Å; I302-I576 HydrophobicContact CG1-CD1 4.42Å; I302-I576 HydrophobicContact CG2-CG2 4.1Å; I302-M580 HydrophobicContact CG2-CE 3.72Å; I302-V603 HydrophobicContact CG2-CG1 4.08Å; I302-V603 HydrophobicContact CG2-CG2 4.33Å; I302-Q606 HydrophobicContact CD1-CB 3.7Å; I302-R607 HydrophobicContact CD1-CB 3.8Å
303	S	93.1	Very high	84.5	Confident	35 Å²	35	23.1 Å²	23.1	25%	0.245	13%	0.129	C	C	.	.			trans	-121.5	155.5	-179.4	-53.1	0	0	0	0	110.2	P363 M580 Q606	S303-P363 WeakPolarHBondContact OG-CA 3.38Å; S303-M580 WeakPolarHBondContact O-CE 3.26Å; S303-Q606 PolarHBondContact O-NE2 2.84Å; S303-Q606 PolarHBondContact O-OE1 3.25Å
304	W	88.3	Confident	82.3	Confident	18 Å²	18	24.4 Å²	24.4	7%	0.068	14%	0.135	C	C	.	.			trans	-65.9	132.9	171.1	174.6	-90.8	0	0	0	110.3	V306 L308 T309 F358 M580 Y584 T599	W304-V306 PolarHBondContact O-N 3.25Å; W304-L308 HydrophobicContact CH2-CD2 4.17Å; W304-L308 HydrophobicContact CZ2-CD2 4.19Å; W304-T309 PolarHBondContact NE1-OG1 2.97Å; W304-F358 HydrophobicContact CB-CB 4.37Å; W304-F358 HydrophobicContact CB-CG 4.49Å; W304-F358 AromaticContact CD1-CD2 3.44Å; W304-F358 VanDerWaalsContact CD1-CD2 3.44Å; W304-F358 AromaticContact CD1-CE2 3.81Å; W304-F358 HydrophobicContact CG-CD2 4Å; W304-F358 HydrophobicContact CG-CE2 4.46Å; W304-F358 HydrophobicContact CG-CG 4.19Å; W304-F358 AromaticContact NE1-CD2 3.74Å; W304-F358 AromaticContact NE1-CE2 3.58Å; W304-M580 HydrophobicContact CE3-CB 3.72Å; W304-M580 HydrophobicContact CE3-CG 3.92Å; W304-M580 HydrophobicContact CE3-SD 4.07Å; W304-M580 HydrophobicContact CZ3-CB 3.73Å; W304-M580 HydrophobicContact CZ3-CG 4.43Å; W304-Y584 AromaticContact CH2-CD2 3.75Å; W304-Y584 HydrophobicContact CH2-CD2 3.75Å; W304-Y584 AromaticContact CH2-CG 3.86Å; W304-Y584 HydrophobicContact CH2-CG 3.86Å; W304-Y584 AromaticContact CZ2-CD2 3.48Å; W304-Y584 HydrophobicContact CZ2-CD2 3.48Å; W304-Y584 VanDerWaalsContact CZ2-CD2 3.48Å; W304-Y584 HydrophobicContact CZ2-CE2 4.04Å; W304-Y584 HydrophobicContact CZ2-CG 4.09Å; W304-T599 HydrophobicContact CZ3-CG2 4.45Å
305	P	79.8	Confident	79.5	Confident	23 Å²	23	27.3 Å²	27.3	15%	0.149	17%	0.167	C	C	.	.			trans	-72.2	106.6	178.2	28.5	-35.6	0	0	0	112.2	N307 L308 T309 A602	P305-N307 VanDerWaalsContact C-N 3.29Å; P305-N307 PolarHBondContact O-N 3.45Å; P305-L308 HydrophobicContact CB-CB 3.9Å; P305-L308 HydrophobicContact CG-CB 3.57Å; P305-L308 HydrophobicContact CG-CD2 3.66Å; P305-L308 HydrophobicContact CG-CG 4.28Å; P305-L308 VanDerWaalsContact O-CB 3.23Å; P305-L308 WeakPolarHBondContact O-CB 3.25Å; P305-L308 PolarHBondContact O-N 3.38Å; P305-T309 PolarHBondContact O-N 3.49Å; P305-A602 HydrophobicContact CB-CB 3.6Å; P305-A602 HydrophobicContact CG-CB 3.49Å; P305-A602 VanDerWaalsContact CG-CB 3.49Å
306	V	75	Confident	76.5	Confident	37 Å²	37	25.2 Å²	25.2	22%	0.224	16%	0.157	C	C	.	.	H	α-helix	trans	-55.9	-43.4	179.8	-179.6	0	0	0	0	112.2	W304 L308 T309 E310 A355	W304-V306 PolarHBondContact O-N 3.25Å; V306-L308 PolarHBondContact O-N 3.42Å; V306-T309 VanDerWaalsContact O-CB 3.24Å; V306-T309 WeakPolarHBondContact O-CB 3.47Å; V306-T309 PolarHBondContact O-N 3.37Å; V306-T309 PolarHBondContact O-OG1 3.41Å; V306-E310 PolarHBondContact O-N 3.28Å; V306-A355 HydrophobicContact CB-CB 4.35Å; V306-A355 HydrophobicContact CG1-CB 3.66Å; V306-A355 HydrophobicContact CG2-CB 3.76Å
307	N	69.2	Low	73.1	Confident	99 Å²	99	29.8 Å²	29.8	53%	0.529	19%	0.19	S	C	.	.	H	α-helix	trans	-63	-24.4	179.3	-50.3	-15	0	0	0	112.4	P305 S311	P305-N307 VanDerWaalsContact C-N 3.29Å; P305-N307 PolarHBondContact O-N 3.45Å; N307-S311 PolarHBondContact O-N 3.12Å; N307-S311 PolarHBondContact O-OG 3.42Å
308	L	74.9	Confident	69.9	Low	3 Å²	3	31.7 Å²	31.7	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-69.9	-44.2	174.5	-174.7	60.9	0	0	0	109.9	W304 P305 V306 E310 S311 L312 R598 T599	W304-L308 HydrophobicContact CH2-CD2 4.17Å; W304-L308 HydrophobicContact CZ2-CD2 4.19Å; P305-L308 HydrophobicContact CB-CB 3.9Å; P305-L308 HydrophobicContact CG-CB 3.57Å; P305-L308 HydrophobicContact CG-CD2 3.66Å; P305-L308 HydrophobicContact CG-CG 4.28Å; P305-L308 VanDerWaalsContact O-CB 3.23Å; P305-L308 WeakPolarHBondContact O-CB 3.25Å; P305-L308 PolarHBondContact O-N 3.38Å; V306-L308 PolarHBondContact O-N 3.42Å; L308-E310 VanDerWaalsContact C-N 3.27Å; L308-E310 PolarHBondContact O-N 3.04Å; L308-S311 PolarHBondContact O-N 3.01Å; L308-S311 VanDerWaalsContact O-N 3.14Å; L308-S311 PolarHBondContact O-OG 3.37Å; L308-L312 HydrophobicContact CD1-CD1 4.28Å; L308-L312 HydrophobicContact CD1-CG 4.31Å; L308-L312 HydrophobicContact CG-CD1 3.91Å; L308-L312 HydrophobicContact CG-CG 4.36Å; L308-L312 VanDerWaalsContact O-CG 3.25Å; L308-L312 WeakPolarHBondContact O-CG 3.35Å; L308-L312 PolarHBondContact O-N 3.17Å; L308-R598 HydrophobicContact CD1-CB 3.98Å; L308-R598 HydrophobicContact CD1-CG 3.71Å; L308-T599 HydrophobicContact CD2-CG2 4.4Å; L308-T599 WeakPolarHBondContact CD2-OG1 3.49Å
309	T	71	Confident	66.4	Low	22 Å²	22	35.2 Å²	35.2	14%	0.135	22%	0.222	C	C	.	.	H	α-helix	trans	-52.8	-49.2	173.3	-48.6	0	0	0	0	110.3	W304 P305 V306 S311 L312 S313 F358 Y584	W304-T309 PolarHBondContact NE1-OG1 2.97Å; P305-T309 PolarHBondContact O-N 3.49Å; V306-T309 VanDerWaalsContact O-CB 3.24Å; V306-T309 WeakPolarHBondContact O-CB 3.47Å; V306-T309 PolarHBondContact O-N 3.37Å; V306-T309 PolarHBondContact O-OG1 3.41Å; T309-S311 PolarHBondContact O-N 3.41Å; T309-L312 PolarHBondContact O-N 3.37Å; T309-S313 WeakPolarHBondContact O-CB 3.39Å; T309-S313 PolarHBondContact O-N 2.91Å; T309-S313 PolarHBondContact O-OG 2.91Å; T309-F358 HydrophobicContact CG2-CE2 4.31Å; T309-Y584 HydrophobicContact CG2-CE2 4.4Å
310	E	62.1	Low	63	Low	46 Å²	46	38.8 Å²	38.8	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-56.6	-46.7	177.9	-74.7	165.3	-147.4	0	0	112.4	V306 L308 L312 S313 F318	V306-E310 PolarHBondContact O-N 3.28Å; L308-E310 VanDerWaalsContact C-N 3.27Å; L308-E310 PolarHBondContact O-N 3.04Å; E310-L312 VanDerWaalsContact C-N 3.3Å; E310-L312 PolarHBondContact O-N 3.34Å; E310-S313 WeakPolarHBondContact CA-OG 3.42Å; E310-S313 CarbonylContact O-C 3.56Å; E310-S313 PolarHBondContact O-N 3.45Å; E310-S313 VanDerWaalsContact O-O 3.09Å; E310-S313 PolarHBondContact O-OG 3.46Å; E310-F318 HydrophobicContact CG-CB 3.6Å; E310-F318 HydrophobicContact CG-CD2 3.68Å; E310-F318 HydrophobicContact CG-CG 4.12Å; E310-F318 WeakPolarHBondContact OE1-CB 3.28Å
311	S	64.3	Low	59.6	Low	32 Å²	32	43.6 Å²	43.6	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-68.3	-29.2	-179.2	72.5	0	0	0	0	113.4	N307 L308 T309 R598	N307-S311 PolarHBondContact O-N 3.12Å; N307-S311 PolarHBondContact O-OG 3.42Å; L308-S311 PolarHBondContact O-N 3.01Å; L308-S311 VanDerWaalsContact O-N 3.14Å; L308-S311 PolarHBondContact O-OG 3.37Å; T309-S311 PolarHBondContact O-N 3.41Å; S311-R598 VanDerWaalsContact CB-NH1 3.35Å; S311-R598 PolarHBondContact OG-NH1 3.08Å
312	L	67.6	Low	56.2	Low	10 Å²	10	49.1 Å²	49.1	5%	0.052	30%	0.3	C	S	.	.	H	α-helix	trans	-81.1	-34.4	175.7	-64.6	173.5	0	0	0	111.2	R213 L308 T309 E310 N314 Y584 D593 D595	R213-L312 HydrophobicContact CG-CD2 4.41Å; R213-L312 PolarHBondContact NH2-O 3.09Å; L308-L312 HydrophobicContact CD1-CD1 4.28Å; L308-L312 HydrophobicContact CD1-CG 4.31Å; L308-L312 HydrophobicContact CG-CD1 3.91Å; L308-L312 HydrophobicContact CG-CG 4.36Å; L308-L312 VanDerWaalsContact O-CG 3.25Å; L308-L312 WeakPolarHBondContact O-CG 3.35Å; L308-L312 PolarHBondContact O-N 3.17Å; T309-L312 PolarHBondContact O-N 3.37Å; E310-L312 VanDerWaalsContact C-N 3.3Å; E310-L312 PolarHBondContact O-N 3.34Å; L312-N314 PolarHBondContact O-N 3.11Å; L312-Y584 WeakPolarHBondContact CB-OH 3.49Å; L312-Y584 HydrophobicContact CD1-CE1 4.09Å; L312-Y584 HydrophobicContact CD1-CE2 4.26Å; L312-D593 HydrophobicContact CD2-CB 4.5Å; L312-D595 HydrophobicContact CD2-CB 4.18Å
313	S	56.6	Low	52.9	Low	21 Å²	21	55.3 Å²	55.3	15%	0.147	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	74.5	175.2	66.5	0	0	0	0	111	T309 E310 G315	T309-S313 WeakPolarHBondContact O-CB 3.39Å; T309-S313 PolarHBondContact O-N 2.91Å; T309-S313 PolarHBondContact O-OG 2.91Å; E310-S313 WeakPolarHBondContact CA-OG 3.42Å; E310-S313 CarbonylContact O-C 3.56Å; E310-S313 PolarHBondContact O-N 3.45Å; E310-S313 VanDerWaalsContact O-O 3.09Å; E310-S313 PolarHBondContact O-OG 3.46Å; S313-G315 PolarHBondContact O-N 3.47Å
314	N	49.9	Very low	49.7	Very low	33 Å²	33	60.9 Å²	60.9	18%	0.176	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-28.5	85.6	179.4	-70.2	-25.7	0	0	0	116.7	R7 R213 L312	R7-N314 PolarHBondContact NE-ND2 3.41Å; R213-N314 VanDerWaalsContact CZ-OD1 3.31Å; R213-N314 PolarHBondContact NH1-OD1 2.99Å; R213-N314 VanDerWaalsContact NH2-CG 3.29Å; R213-N314 PolarHBondContact NH2-ND2 3.08Å; R213-N314 VanDerWaalsContact NH2-ND2 3.16Å; R213-N314 PolarHBondContact NH2-OD1 2.89Å; L312-N314 PolarHBondContact O-N 3.11Å
315	G	36.4	Very low	46.7	Very low	74 Å²	74	64.9 Å²	64.9	76%	0.763	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.8	2.9	157.9	0	0	0	0	0	119	S313	S313-G315 PolarHBondContact O-N 3.47Å
316	S	32.8	Very low	44.2	Very low	13 Å²	13	71 Å²	71	9%	0.091	40%	0.404	C	S	.	.			trans	-94	101.4	169.2	64.5	0	0	0	0	109.8	F318	S316-F318 WeakPolarHBondContact O-CD2 3.5Å; S316-F318 PolarHBondContact O-N 3.29Å; S316-F318 WeakPolarHBondContact OG-CE2 3.41Å
317	S	27.8	Very low	41.9	Very low	101 Å²	101	74.1 Å²	74.1	71%	0.706	43%	0.428	S	S	*	.			trans	-53.2	113.6	174.2	-179.4	0	0	0	0	110
318	F	30.8	Very low	40	Very low	44 Å²	44	74.2 Å²	74.2	19%	0.193	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-94.5	135.9	166.2	-66.3	-71.7	0	0	0	107.8	E310 S316 S354	E310-F318 HydrophobicContact CG-CB 3.6Å; E310-F318 HydrophobicContact CG-CD2 3.68Å; E310-F318 HydrophobicContact CG-CG 4.12Å; E310-F318 WeakPolarHBondContact OE1-CB 3.28Å; S316-F318 WeakPolarHBondContact O-CD2 3.5Å; S316-F318 PolarHBondContact O-N 3.29Å; S316-F318 WeakPolarHBondContact OG-CE2 3.41Å; F318-S354 VanDerWaalsContact CD1-CB 3.41Å; F318-S354 WeakPolarHBondContact CD1-OG 3.33Å; F318-S354 VanDerWaalsContact CE1-CB 3.45Å; F318-S354 WeakPolarHBondContact CE1-OG 3.45Å; F318-S354 WeakPolarHBondContact CG-OG 3.32Å
319	C	24.6	Very low	37.6	Very low	76 Å²	76	80.3 Å²	80.3	51%	0.514	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-82.9	123	176.8	-68.2	0	0	0	0	108.7	N352	C319-N352 HydrophobicContact CB-CB 4.3Å
320	C	27.1	Very low	35.7	Very low	74 Å²	74	85 Å²	85	50%	0.5	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-68	135.2	175.4	86.7	0	0	0	0	110.7
321	V	26.2	Very low	34	Very low	102 Å²	102	90.3 Å²	90.3	62%	0.618	53%	0.534	S	S	*	.			trans	-100.8	114.9	165	-177.5	0	0	0	0	107	Y323	V321-Y323 PolarHBondContact O-N 3.08Å
322	K	26.2	Very low	32.3	Very low	168 Å²	168	96.5 Å²	96.5	73%	0.73	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-73.3	119.4	169.4	-73.7	-177	178.2	178.6	0	108.5	H324	K322-H324 PolarHBondContact O-N 2.83Å
323	Y	26.9	Very low	30.3	Very low	130 Å²	130	102.5 Å²	102.5	51%	0.51	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-73.1	120.9	171.7	-170.7	-97	0	0	0	109.2	V321	V321-Y323 PolarHBondContact O-N 3.08Å
324	H	25.5	Very low	29	Very low	153 Å²	153	109.2 Å²	109.2	71%	0.708	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-100.9	130.2	163.1	-78.5	-73	0	0	0	108.2	K322 I326	K322-H324 PolarHBondContact O-N 2.83Å; H324-I326 PolarHBondContact O-N 3.12Å
325	P	27.2	Very low	28	Very low	101 Å²	101	115.6 Å²	115.6	66%	0.656	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-55.6	136.6	174.7	-20	30.1	0	0	0	110.3	S327	P325-S327 PolarHBondContact O-N 2.71Å
326	I	26.2	Very low	27.7	Very low	151 Å²	151	120.6 Å²	120.6	77%	0.774	66%	0.663	S	S	*	*			trans	-58.9	102.6	179.3	-60.1	167.8	0	0	0	108.6	H324	H324-I326 PolarHBondContact O-N 3.12Å
327	S	26.9	Very low	27.3	Very low	103 Å²	103	129 Å²	129	72%	0.72	70%	0.701	S	S	*	*			trans	-82	117.7	161.6	58.6	0	0	0	0	108.3	P325	P325-S327 PolarHBondContact O-N 2.71Å
328	S	28.2	Very low	27.1	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	70%	0.704	S	S	*	*			trans	11	122.8	161.5	54	0	0	0	0	119
329	V	26	Very low	26.8	Very low	132 Å²	132	135 Å²	135	80%	0.8	74%	0.735	S	S	*	*			trans	-36.2	123.9	167.8	-174.4	0	0	0	0	113.4
330	P	29.8	Very low	27	Very low	121 Å²	121	136 Å²	136	79%	0.786	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-88.7	135.7	162.2	5.7	12.6	0	0	0	110.7
331	D	28	Very low	26.8	Very low	156 Å²	156	137.6 Å²	137.6	83%	0.834	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-59	159.6	-176.8	-92.6	-43.8	0	0	0	115.8
332	Q	27.2	Very low	26.6	Very low	163 Å²	163	140.6 Å²	140.6	76%	0.762	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-57	163.8	-176.9	-62.1	174.9	-19.4	0	0	115.8
333	N	25.8	Very low	26.4	Very low	135 Å²	135	138.5 Å²	138.5	72%	0.722	77%	0.773	S	S	*	*			trans	90	100.5	158.6	-60.4	-27.5	0	0	0	117.5
334	N	30.1	Very low	26.2	Very low	162 Å²	162	138.8 Å²	138.8	87%	0.866	79%	0.788	S	S	*	*				-172	114.4	105.9	-94	-25.7	0	0	0	112	Q336	N334-Q336 PolarHBondContact O-N 2.94Å
335	N	27.7	Very low	26.1	Very low	168 Å²	168	136.1 Å²	136.1	90%	0.898	79%	0.787	S	S	*	*			trans	-68	107.9	161.7	-82.5	-26.1	0	0	0	108.8
336	Q	29.7	Very low	26	Very low	178 Å²	178	138.7 Å²	138.7	83%	0.832	80%	0.795	S	S	*	*			trans	-145.7	104.5	156.3	-108.7	171.7	22.9	0	0	110.8	N334 C338	N334-Q336 PolarHBondContact O-N 2.94Å; Q336-C338 PolarHBondContact O-N 3.31Å; Q336-C338 PolarHBondContact O-SG 3.2Å; Q336-C338 VanDerWaalsContact O-SG 3.39Å
337	Q	24.6	Very low	25.9	Very low	189 Å²	189	136.3 Å²	136.3	88%	0.883	79%	0.792	S	S	*	*			trans	-55.4	114.4	172	-166.2	172.7	12	0	0	110.3
338	C	25	Very low	25.9	Very low	115 Å²	115	136.8 Å²	136.8	78%	0.777	79%	0.793	S	S	*	*			trans	-129	113.3	168.2	19.8	0	0	0	0	110	Q336 A340	Q336-C338 PolarHBondContact O-N 3.31Å; Q336-C338 PolarHBondContact O-SG 3.2Å; Q336-C338 VanDerWaalsContact O-SG 3.39Å; C338-A340 PolarHBondContact O-N 3.46Å
339	N	24.9	Very low	25.9	Very low	158 Å²	158	140.8 Å²	140.8	85%	0.845	80%	0.8	S	S	*	*			trans	-58.5	113.2	175.3	-69.5	-28.8	0	0	0	110.1
340	A	26.9	Very low	25.9	Very low	96 Å²	96	140.6 Å²	140.6	79%	0.793	80%	0.799	S	S	*	*			trans	-105.7	115.7	171.2	0	0	0	0	0	109.9	C338	C338-A340 PolarHBondContact O-N 3.46Å
341	S	23.3	Very low	25.9	Very low	108 Å²	108	140.7 Å²	140.7	76%	0.755	80%	0.8	S	S	*	*			trans	-52.2	137.5	176	-40.4	0	0	0	0	112.2	T343	S341-T343 PolarHBondContact O-N 3.21Å
342	I	22.1	Very low	26.1	Very low	164 Å²	164	136.7 Å²	136.7	84%	0.841	78%	0.779	S	S	*	*			trans	-60.3	101.5	176.7	-61.3	162.5	0	0	0	109.3
343	T	22.2	Very low	26.4	Very low	124 Å²	124	133.2 Å²	133.2	76%	0.761	77%	0.772	S	S	*	*			trans	-106.1	108	155.9	36.9	0	0	0	0	108.1	S341 S345	S341-T343 PolarHBondContact O-N 3.21Å; T343-S345 PolarHBondContact O-N 3.02Å
344	T	23.2	Very low	26.9	Very low	136 Å²	136	128.2 Å²	128.2	83%	0.834	75%	0.748	S	S	*	*			trans	-59	99.7	168.2	37.3	0	0	0	0	110.3
345	S	22.6	Very low	27.3	Very low	98 Å²	98	121.2 Å²	121.2	69%	0.685	71%	0.712	S	S	*	*			trans	-151.3	121.3	151.5	61.3	0	0	0	0	110	T343	T343-S345 PolarHBondContact O-N 3.02Å
346	N	25.2	Very low	27.7	Very low	155 Å²	155	114.6 Å²	114.6	83%	0.829	68%	0.681	S	S	*	*			trans	57.2	93.7	167.2	-59.5	-13.8	0	0	0	116
347	S	24.2	Very low	28.7	Very low	100 Å²	100	111.5 Å²	111.5	70%	0.699	67%	0.665	S	S	*	*			trans	-39.2	126.4	164.4	-154.6	0	0	0	0	110.5	H349	S347-H349 PolarHBondContact O-N 3.3Å
348	P	28.1	Very low	30	Very low	114 Å²	114	104 Å²	104	74%	0.74	63%	0.63	S	S	*	*			trans	-68.8	101.2	-178.5	27.6	-31	0	0	0	107.7	T350	P348-T350 PolarHBondContact O-N 3.42Å
349	H	26.7	Very low	31.6	Very low	184 Å²	184	101.8 Å²	101.8	85%	0.852	61%	0.607	S	S	*	*			trans	-53.6	109.1	166	-69.8	-72.2	0	0	0	107.5	S347	S347-H349 PolarHBondContact O-N 3.3Å
350	T	26.4	Very low	33	Very low	129 Å²	129	100.4 Å²	100.4	79%	0.791	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-56.6	131.7	174.9	39.3	0	0	0	0	108.8	P348 N352	P348-T350 PolarHBondContact O-N 3.42Å; T350-N352 PolarHBondContact O-N 3.27Å
351	P	30.6	Very low	34.6	Very low	123 Å²	123	97.7 Å²	97.7	80%	0.799	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-67.7	133.8	-170.4	-16.4	29.6	0	0	0	112.2	S353	P351-S353 PolarHBondContact O-N 3.34Å
352	N	30.6	Very low	37	Very low	72 Å²	72	98.9 Å²	98.9	39%	0.385	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-54	122	-174.7	-104.9	-27.2	0	0	0	114.4	C319 T350	C319-N352 HydrophobicContact CB-CB 4.3Å; T350-N352 PolarHBondContact O-N 3.27Å
353	S	34.8	Very low	40	Very low	90 Å²	90	92.4 Å²	92.4	63%	0.629	54%	0.541	S	S	*	.			trans	-87.5	5.2	-171.6	-179.9	0	0	0	0	115.7	P351 A356 F357	P351-S353 PolarHBondContact O-N 3.34Å; S353-A356 VanDerWaalsContact O-CB 3.28Å; S353-A356 WeakPolarHBondContact O-CB 3.46Å; S353-A356 PolarHBondContact O-N 3.5Å; S353-F357 PolarHBondContact O-N 2.92Å
354	S	36.7	Very low	43.3	Very low	30 Å²	30	87.3 Å²	87.3	21%	0.21	51%	0.507	C	S	.	.	S	Bend	trans	-81.3	-29.4	-170.1	53.2	0	0	0	0	114.4	F318 A356 F357	F318-S354 VanDerWaalsContact CD1-CB 3.41Å; F318-S354 WeakPolarHBondContact CD1-OG 3.33Å; F318-S354 VanDerWaalsContact CE1-CB 3.45Å; F318-S354 WeakPolarHBondContact CE1-OG 3.45Å; F318-S354 WeakPolarHBondContact CG-OG 3.32Å; S354-A356 PolarHBondContact O-N 2.85Å; S354-F357 WeakPolarHBondContact O-CB 3.38Å; S354-F357 PolarHBondContact O-N 3.27Å
355	A	37.7	Very low	46.8	Very low	14 Å²	14	80.9 Å²	80.9	12%	0.116	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.6	166.8	0	0	0	0	0	111.3	V306 F357	V306-A355 HydrophobicContact CB-CB 4.35Å; V306-A355 HydrophobicContact CG1-CB 3.66Å; V306-A355 HydrophobicContact CG2-CB 3.76Å; A355-F357 VanDerWaalsContact C-N 3.27Å; A355-F357 PolarHBondContact O-N 3.38Å
356	A	36.9	Very low	50.4	Low	29 Å²	29	76.2 Å²	76.2	24%	0.24	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-10	173.5	0	0	0	0	0	112.9	S353 S354 F358 N360	S353-A356 VanDerWaalsContact O-CB 3.28Å; S353-A356 WeakPolarHBondContact O-CB 3.46Å; S353-A356 PolarHBondContact O-N 3.5Å; S354-A356 PolarHBondContact O-N 2.85Å; A356-F358 PolarHBondContact O-N 3.17Å; A356-N360 WeakPolarHBondContact O-CA 3.32Å; A356-N360 PolarHBondContact O-N 2.87Å; A356-N360 PolarHBondContact O-OD1 3.42Å
357	F	49.2	Very low	54	Low	114 Å²	114	68.9 Å²	68.9	50%	0.5	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-35.8	-170.7	-162.3	-93.2	0	0	0	114.1	S353 S354 A355 T587	S353-F357 PolarHBondContact O-N 2.92Å; S354-F357 WeakPolarHBondContact O-CB 3.38Å; S354-F357 PolarHBondContact O-N 3.27Å; A355-F357 VanDerWaalsContact C-N 3.27Å; A355-F357 PolarHBondContact O-N 3.38Å; F357-T587 HydrophobicContact CD1-CG2 4.46Å; F357-T587 HydrophobicContact CE1-CG2 3.74Å
358	F	53.3	Low	57.5	Low	32 Å²	32	64.2 Å²	64.2	14%	0.14	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-46.7	-178.2	-79.8	-71.2	0	0	0	111.3	W304 T309 A356 Y584	W304-F358 HydrophobicContact CB-CB 4.37Å; W304-F358 HydrophobicContact CB-CG 4.49Å; W304-F358 AromaticContact CD1-CD2 3.44Å; W304-F358 VanDerWaalsContact CD1-CD2 3.44Å; W304-F358 AromaticContact CD1-CE2 3.81Å; W304-F358 HydrophobicContact CG-CD2 4Å; W304-F358 HydrophobicContact CG-CE2 4.46Å; W304-F358 HydrophobicContact CG-CG 4.19Å; W304-F358 AromaticContact NE1-CD2 3.74Å; W304-F358 AromaticContact NE1-CE2 3.58Å; T309-F358 HydrophobicContact CG2-CE2 4.31Å; A356-F358 PolarHBondContact O-N 3.17Å; F358-Y584 AromaticContact CZ-CD2 3.79Å; F358-Y584 HydrophobicContact CZ-CD2 3.79Å; F358-Y584 HydrophobicContact CZ-CE2 4.43Å
359	F	57.3	Low	60.8	Low	68 Å²	68	59 Å²	59	30%	0.298	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.1	35.9	-177.6	-56.7	-71	0	0	0	113.9	G361 K362 R364	F359-G361 PolarHBondContact O-N 3.18Å; F359-K362 WeakPolarHBondContact CB-O 3.36Å; F359-K362 WeakPolarHBondContact O-CB 3.25Å; F359-K362 PolarHBondContact O-N 3.22Å; F359-R364 HydrophobicContact CD1-CB 4.27Å; F359-R364 HydrophobicContact CD1-CG 4.2Å; F359-R364 HydrophobicContact CD2-CB 3.73Å; F359-R364 HydrophobicContact CD2-CG 4.34Å; F359-R364 HydrophobicContact CE1-CG 4.24Å; F359-R364 VanDerWaalsContact CE1-CZ 3.48Å; F359-R364 HydrophobicContact CE2-CB 4.1Å; F359-R364 VanDerWaalsContact CE2-CD 3.43Å; F359-R364 HydrophobicContact CE2-CG 4.34Å; F359-R364 HydrophobicContact CG-CB 3.91Å; F359-R364 HydrophobicContact CG-CG 4.35Å; F359-R364 HydrophobicContact CZ-CG 4.39Å; F359-R364 VanDerWaalsContact CZ-CZ 3.44Å
360	N	55.8	Low	64.2	Low	129 Å²	129	50.2 Å²	50.2	69%	0.69	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	31.9	-171.1	-70.1	11.2	0	0	0	113.8	A356 K362	A356-N360 WeakPolarHBondContact O-CA 3.32Å; A356-N360 PolarHBondContact O-N 2.87Å; A356-N360 PolarHBondContact O-OD1 3.42Å; N360-K362 PolarHBondContact O-N 2.72Å; N360-K362 VanDerWaalsContact O-N 3.15Å
361	G	59.4	Low	67.6	Low	38 Å²	38	44.1 Å²	44.1	39%	0.392	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	0.8	-175.6	0	0	0	0	0	114.6	F359	F359-G361 PolarHBondContact O-N 3.18Å
362	K	73.2	Confident	70.7	Confident	133 Å²	133	39.3 Å²	39.3	58%	0.578	22%	0.22	S	C	*	.	S	Bend	trans	-77.2	146.5	174.4	-64.6	-174.7	179.6	-178.7	0	110	F359 N360 R364	F359-K362 WeakPolarHBondContact CB-O 3.36Å; F359-K362 WeakPolarHBondContact O-CB 3.25Å; F359-K362 PolarHBondContact O-N 3.22Å; N360-K362 PolarHBondContact O-N 2.72Å; N360-K362 VanDerWaalsContact O-N 3.15Å; K362-R364 PolarHBondContact O-N 3.17Å
363	P	85.2	Confident	73.8	Confident	28 Å²	28	38.6 Å²	38.6	18%	0.182	22%	0.224	C	C	.	.			trans	-62.2	131.6	173.4	26.4	-33	0	0	0	109.9	Y301 S303	Y301-P363 HydrophobicContact CD1-CB 3.81Å; Y301-P363 HydrophobicContact CD1-CG 3.44Å; Y301-P363 VanDerWaalsContact CD1-CG 3.44Å; Y301-P363 HydrophobicContact CE1-CG 4.07Å; Y301-P363 HydrophobicContact CG-CB 4.19Å; Y301-P363 HydrophobicContact CG-CG 4.03Å; S303-P363 WeakPolarHBondContact OG-CA 3.38Å
364	R	91.8	Very high	76.7	Confident	17 Å²	17	38.6 Å²	38.6	6%	0.064	22%	0.217	C	C	.	.	S	Bend	trans	-82.9	-30.5	175.9	-177.5	170.8	-163.7	-177.8	3.1	112.1	I302 F359 K362 P560 I561 N583	I302-R364 PolarHBondContact O-N 3.21Å; F359-R364 HydrophobicContact CD1-CB 4.27Å; F359-R364 HydrophobicContact CD1-CG 4.2Å; F359-R364 HydrophobicContact CD2-CB 3.73Å; F359-R364 HydrophobicContact CD2-CG 4.34Å; F359-R364 HydrophobicContact CE1-CG 4.24Å; F359-R364 VanDerWaalsContact CE1-CZ 3.48Å; F359-R364 HydrophobicContact CE2-CB 4.1Å; F359-R364 VanDerWaalsContact CE2-CD 3.43Å; F359-R364 HydrophobicContact CE2-CG 4.34Å; F359-R364 HydrophobicContact CG-CB 3.91Å; F359-R364 HydrophobicContact CG-CG 4.35Å; F359-R364 HydrophobicContact CZ-CG 4.39Å; F359-R364 VanDerWaalsContact CZ-CZ 3.44Å; K362-R364 PolarHBondContact O-N 3.17Å; R364-P560 CarbonylContact O-C 3.54Å; R364-P560 VanDerWaalsContact O-CA 3.25Å; R364-P560 WeakPolarHBondContact O-CA 3.41Å; R364-I561 PolarHBondContact O-N 3.07Å; R364-N583 VanDerWaalsContact NH1-CG 3.3Å; R364-N583 PolarHBondContact NH1-ND2 2.67Å
365	Y	97.8	Very high	79.5	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.6	-176.2	-38.1	-89	0	0	0	111.3	I302 I561 V563 I576 D579 M580	I302-Y365 HydrophobicContact CB-CD2 4.44Å; I302-Y365 HydrophobicContact CG2-CD2 4.5Å; I302-Y365 PolarHBondContact N-O 2.77Å; I302-Y365 PolarHBondContact O-N 3.04Å; I302-Y365 VanDerWaalsContact O-N 3.15Å; Y365-I561 CarbonylContact C-O 3.57Å; Y365-I561 VanDerWaalsContact CA-O 3.26Å; Y365-I561 WeakPolarHBondContact CA-O 3.45Å; Y365-I561 HydrophobicContact CD1-CB 4.27Å; Y365-I561 HydrophobicContact CE1-CD1 4.43Å; Y365-V563 HydrophobicContact CD1-CG2 4.27Å; Y365-I576 HydrophobicContact CD1-CG1 4.31Å; Y365-I576 HydrophobicContact CD2-CG2 3.94Å; Y365-I576 HydrophobicContact CE2-CG2 4.01Å; Y365-I576 HydrophobicContact CG-CD1 4.35Å; Y365-I576 HydrophobicContact CG-CG1 4.24Å; Y365-I576 HydrophobicContact CG-CG2 4.37Å; Y365-D579 WeakPolarHBondContact CE1-OD2 3.46Å; Y365-D579 PolarHBondContact OH-OD2 3.17Å; Y365-M580 HydrophobicContact CD2-CE 3.95Å; Y365-M580 HydrophobicContact CE2-CE 3.62Å; Y365-M580 HydrophobicContact CE2-CG 3.9Å
366	I	98.6	Very high	82.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119	158.7	-69.8	170	0	0	0	107	V282 A299 N300 Y301 M382 E386 P560 I561 V562 V563	V282-I366 HydrophobicContact CG2-CD1 4.14Å; V282-I366 HydrophobicContact CG2-CG1 4.15Å; V282-I366 HydrophobicContact CG2-CG2 3.91Å; A299-I366 HydrophobicContact CB-CG2 3.82Å; N300-I366 WeakPolarHBondContact O-CA 3.38Å; Y301-I366 HydrophobicContact CD1-CD1 4.27Å; Y301-I366 HydrophobicContact CD1-CG1 3.81Å; Y301-I366 HydrophobicContact CE1-CD1 3.94Å; Y301-I366 HydrophobicContact CE1-CG1 4.02Å; I366-M382 HydrophobicContact CD1-CG 4.32Å; I366-M382 HydrophobicContact CD1-SD 4.39Å; I366-M382 HydrophobicContact CG2-CE 4.17Å; I366-M382 HydrophobicContact CG2-SD 3.73Å; I366-E386 HydrophobicContact CD1-CB 4.08Å; I366-E386 HydrophobicContact CD1-CG 3.74Å; I366-P560 HydrophobicContact CD1-CB 4.23Å; I366-P560 HydrophobicContact CD1-CG 3.49Å; I366-P560 VanDerWaalsContact CD1-CG 3.49Å; I366-P560 HydrophobicContact CG1-CB 3.98Å; I366-P560 HydrophobicContact CG1-CG 3.75Å; I366-I561 PolarHBondContact N-O 2.73Å; I366-V562 HydrophobicContact CB-CG2 4.14Å; I366-V562 HydrophobicContact CD1-CG2 4.35Å; I366-V562 CarbonylContact O-C 3.57Å; I366-V562 WeakPolarHBondContact O-CA 3.46Å; I366-V563 PolarHBondContact O-N 3.45Å
367	A	98.7	Very high	85	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121	171.9	0	0	0	0	0	109.4	A299 N300 I302 V563 T572 I576 M610	A299-A367 WeakPolarHBondContact CA-O 3.31Å; N300-A367 PolarHBondContact N-O 2.81Å; N300-A367 PolarHBondContact O-N 3.14Å; I302-A367 HydrophobicContact CD1-CB 4.19Å; I302-A367 HydrophobicContact CG1-CB 3.69Å; A367-V563 WeakPolarHBondContact CA-O 3.05Å; A367-T572 HydrophobicContact CB-CG2 3.98Å; A367-I576 HydrophobicContact CB-CD1 4.04Å; A367-M610 HydrophobicContact CB-CE 4.22Å
368	T	98.7	Very high	87.3	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.1	-178.3	-172.7	0	0	0	0	112	N298 F379 M382 V562 V563 H564 G568	N298-T368 PolarHBondContact O-OG1 3.46Å; T368-F379 HydrophobicContact CG2-CD2 4.47Å; T368-F379 HydrophobicContact CG2-CE2 3.9Å; T368-M382 HydrophobicContact CG2-CE 4.16Å; T368-V562 HydrophobicContact CG2-CG1 3.69Å; T368-V563 PolarHBondContact N-O 3.26Å; T368-V563 VanDerWaalsContact N-O 3.14Å; T368-H564 HydrophobicContact CG2-CB 3.7Å; T368-H564 WeakPolarHBondContact O-CA 3.41Å; T368-H564 WeakPolarHBondContact O-CB 3.04Å; T368-G568 WeakPolarHBondContact O-CA 3.33Å
369	Q	98.2	Very high	89.4	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.019	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-68.6	161.9	171.8	67	179.3	11.6	0	0	111.4	K268 N298 A371	K268-Q369 PolarHBondContact O-NE2 3.38Å; N298-Q369 HydrophobicContact CB-CG 4.05Å; N298-Q369 PolarHBondContact ND2-OE1 3.45Å; N298-Q369 PolarHBondContact O-N 2.87Å; Q369-A371 PolarHBondContact O-N 3.23Å
370	G	97.8	Very high	91.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-63.3	128.2	166	0	0	0	0	0	110	R270 C565 S566	R270-G370 PolarHBondContact NE-O 3.48Å; R270-G370 PolarHBondContact NH2-O 2.95Å; G370-C565 VanDerWaalsContact CA-O 3.23Å; G370-C565 WeakPolarHBondContact CA-O 3.28Å; G370-C565 PolarHBondContact N-O 3.45Å; G370-S566 PolarHBondContact N-O 2.9Å
371	A	96.9	Very high	93.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.008	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-51.2	143.3	-175.9	0	0	0	0	0	112.2	R270 Q369 C405 I406 Y408	R270-A371 PolarHBondContact NH2-O 3.16Å; Q369-A371 PolarHBondContact O-N 3.23Å; A371-C405 PolarHBondContact N-SG 2.77Å; A371-I406 HydrophobicContact CB-CG2 4Å; A371-I406 WeakPolarHBondContact O-CG2 3.44Å; A371-I406 PolarHBondContact O-N 3.39Å; A371-Y408 HydrophobicContact CB-CD1 3.78Å; A371-Y408 HydrophobicContact CB-CG 4.29Å
372	V	96.5	Very high	95.2	Very high	23 Å²	23	21.7 Å²	21.7	14%	0.139	12%	0.118	C	C	.	.			trans	-113.1	164.3	172.8	-65.8	0	0	0	0	109.3	R270 N374 S375 Q376	R270-V372 HydrophobicContact CB-CG1 3.82Å; R270-V372 HydrophobicContact CG-CG1 4.22Å; V372-N374 VanDerWaalsContact C-N 3.27Å; V372-N374 PolarHBondContact O-N 3.07Å; V372-S375 VanDerWaalsContact CG2-OG 3.31Å; V372-S375 WeakPolarHBondContact CG2-OG 3.43Å; V372-S375 PolarHBondContact N-OG 2.99Å; V372-S375 PolarHBondContact O-N 2.86Å; V372-S375 VanDerWaalsContact O-N 3.08Å; V372-Q376 WeakPolarHBondContact O-CG 3.17Å; V372-Q376 PolarHBondContact O-N 2.83Å
373	A	95.5	Very high	96.3	Very high	57 Å²	57	15.3 Å²	15.3	47%	0.471	9%	0.09	S	C	.	.	G	3₁₀ helix	trans	-52.4	-46.2	-174.7	0	0	0	0	0	112.6	S375 Q376 I406	A373-S375 PolarHBondContact O-N 3.47Å; A373-Q376 PolarHBondContact O-NE2 3.14Å; A373-I406 HydrophobicContact CB-CD1 4.07Å
374	N	94.5	Very high	96.9	Very high	90 Å²	90	17.1 Å²	17.1	48%	0.481	9%	0.093	S	C	.	.	G	3₁₀ helix	trans	-81.7	10.4	-175.6	-59.5	6.9	0	0	0	113.9	D267 V372	D267-N374 PolarHBondContact OD2-ND2 3.24Å; V372-N374 VanDerWaalsContact C-N 3.27Å; V372-N374 PolarHBondContact O-N 3.07Å
375	S	95.5	Very high	97	Very high	5 Å²	5	18.3 Å²	18.3	4%	0.035	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-140	16.2	-179.8	84.5	0	0	0	0	113.4	V372 A373 F379	V372-S375 VanDerWaalsContact CG2-OG 3.31Å; V372-S375 WeakPolarHBondContact CG2-OG 3.43Å; V372-S375 PolarHBondContact N-OG 2.99Å; V372-S375 PolarHBondContact O-N 2.86Å; V372-S375 VanDerWaalsContact O-N 3.08Å; A373-S375 PolarHBondContact O-N 3.47Å; S375-F379 WeakPolarHBondContact O-CB 3.48Å; S375-F379 PolarHBondContact O-N 2.89Å
376	Q	96.1	Very high	97	Very high	22 Å²	22	20 Å²	20	10%	0.103	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-39.7	179.6	-74.1	172	97.2	0	0	111.6	V372 A373 F379 W380 I406 R407 F419	V372-Q376 WeakPolarHBondContact O-CG 3.17Å; V372-Q376 PolarHBondContact O-N 2.83Å; A373-Q376 PolarHBondContact O-NE2 3.14Å; Q376-F379 WeakPolarHBondContact O-CB 3.25Å; Q376-F379 PolarHBondContact O-N 2.98Å; Q376-W380 VanDerWaalsContact O-CD1 3.24Å; Q376-W380 PolarHBondContact O-N 3.22Å; Q376-W380 VanDerWaalsContact O-N 3.14Å; Q376-I406 HydrophobicContact CG-CG2 3.72Å; Q376-R407 PolarHBondContact OE1-O 3.11Å; Q376-F419 HydrophobicContact CB-CD1 4.23Å; Q376-F419 HydrophobicContact CB-CE1 3.82Å
377	D	95.2	Very high	96.8	Very high	51 Å²	51	26.5 Å²	26.5	27%	0.273	14%	0.136	S	C	.	.	H	α-helix	trans	-63	-49.4	174.5	62.7	-63.8	0	0	0	110.5	F379 W380 R381 F419	D377-F379 PolarHBondContact O-N 3.41Å; D377-W380 PolarHBondContact O-N 3.17Å; D377-W380 VanDerWaalsContact O-N 3.15Å; D377-R381 WeakPolarHBondContact O-CB 3.29Å; D377-R381 VanDerWaalsContact O-CG 3.25Å; D377-R381 WeakPolarHBondContact O-CG 3.43Å; D377-R381 PolarHBondContact O-N 3.33Å; D377-F419 HydrophobicContact CB-CB 4.25Å
378	A	97.2	Very high	96.8	Very high	5 Å²	5	26.5 Å²	26.5	4%	0.041	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-39.8	175.4	0	0	0	0	0	111.7	L284 I297 R381 M382	L284-A378 HydrophobicContact CD1-CB 3.8Å; I297-A378 HydrophobicContact CD1-CB 4.37Å; A378-R381 PolarHBondContact O-N 2.89Å; A378-M382 PolarHBondContact O-N 2.95Å
379	F	98.2	Very high	96.8	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-50.5	176	-177	-88.9	0	0	0	111.3	I297 T368 S375 Q376 D377 M382 I383 I391 Y408 V562	I297-F379 HydrophobicContact CD1-CB 4.33Å; T368-F379 HydrophobicContact CG2-CD2 4.47Å; T368-F379 HydrophobicContact CG2-CE2 3.9Å; S375-F379 WeakPolarHBondContact O-CB 3.48Å; S375-F379 PolarHBondContact O-N 2.89Å; Q376-F379 WeakPolarHBondContact O-CB 3.25Å; Q376-F379 PolarHBondContact O-N 2.98Å; D377-F379 PolarHBondContact O-N 3.41Å; F379-M382 HydrophobicContact CD2-CE 4.12Å; F379-M382 HydrophobicContact CE2-CE 4.25Å; F379-M382 WeakPolarHBondContact O-CB 3.41Å; F379-M382 PolarHBondContact O-N 3.26Å; F379-I383 HydrophobicContact CD1-CG1 4.22Å; F379-I383 HydrophobicContact CE1-CD1 4.17Å; F379-I383 HydrophobicContact CE1-CG1 3.98Å; F379-I383 HydrophobicContact CZ-CD1 4.28Å; F379-I383 WeakPolarHBondContact O-CG1 3.32Å; F379-I383 PolarHBondContact O-N 2.65Å; F379-I383 VanDerWaalsContact O-N 3.11Å; F379-I391 HydrophobicContact CE1-CD1 4.13Å; F379-I391 HydrophobicContact CZ-CD1 4.43Å; F379-I391 HydrophobicContact CZ-CG2 4.3Å; F379-Y408 AromaticContact CD1-CD2 3.98Å; F379-Y408 HydrophobicContact CD1-CD2 3.98Å; F379-Y408 HydrophobicContact CD1-CE2 4.22Å; F379-Y408 HydrophobicContact CD1-CG 4.38Å; F379-Y408 AromaticContact CE1-CD2 3.64Å; F379-Y408 HydrophobicContact CE1-CD2 3.64Å; F379-Y408 HydrophobicContact CE1-CE1 4.46Å; F379-Y408 AromaticContact CE1-CE2 3.41Å; F379-Y408 HydrophobicContact CE1-CE2 3.41Å; F379-Y408 VanDerWaalsContact CE1-CE2 3.41Å; F379-Y408 HydrophobicContact CE1-CG 4.29Å; F379-Y408 AromaticContact CE1-CZ 3.84Å; F379-Y408 HydrophobicContact CZ-CD2 4.42Å; F379-Y408 HydrophobicContact CZ-CE1 4.35Å; F379-Y408 AromaticContact CZ-CE2 3.89Å; F379-Y408 HydrophobicContact CZ-CE2 3.89Å; F379-Y408 AromaticContact CZ-CZ 3.82Å; F379-V562 HydrophobicContact CE2-CG1 4.29Å; F379-V562 HydrophobicContact CZ-CG1 4.35Å
380	W	97.8	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-70.3	-31.3	179.1	-73	116.3	0	0	0	113.7	Q376 D377 M382 I383 W384 I391 Y408 W409 F419 I426 V428 L444 M446	Q376-W380 VanDerWaalsContact O-CD1 3.24Å; Q376-W380 PolarHBondContact O-N 3.22Å; Q376-W380 VanDerWaalsContact O-N 3.14Å; D377-W380 PolarHBondContact O-N 3.17Å; D377-W380 VanDerWaalsContact O-N 3.15Å; W380-M382 VanDerWaalsContact C-N 3.33Å; W380-I383 HydrophobicContact CE3-CB 4.06Å; W380-I383 HydrophobicContact CE3-CG1 3.96Å; W380-I383 HydrophobicContact CE3-CG2 4.27Å; W380-I383 HydrophobicContact CZ3-CB 4.49Å; W380-I383 HydrophobicContact CZ3-CG1 4.28Å; W380-I383 HydrophobicContact CZ3-CG2 4.26Å; W380-I383 PolarHBondContact O-N 2.93Å; W380-W384 WeakPolarHBondContact O-CB 3.37Å; W380-W384 PolarHBondContact O-N 3.49Å; W380-I391 HydrophobicContact CH2-CD1 4.08Å; W380-I391 HydrophobicContact CZ3-CD1 3.99Å; W380-Y408 AromaticContact CE2-CD2 3.92Å; W380-Y408 HydrophobicContact CH2-CD2 4.39Å; W380-Y408 HydrophobicContact CH2-CE2 4.44Å; W380-Y408 AromaticContact CZ2-CD2 3.58Å; W380-Y408 HydrophobicContact CZ2-CD2 3.58Å; W380-Y408 HydrophobicContact CZ2-CE2 4.05Å; W380-Y408 PolarHBondContact NE1-O 3.24Å; W380-W409 HydrophobicContact CZ2-CB 4.34Å; W380-F419 AromaticContact CD1-CD2 3.61Å; W380-F419 AromaticContact CD1-CE1 3.98Å; W380-F419 AromaticContact CD1-CE2 3.34Å; W380-F419 AromaticContact CD1-CZ 3.55Å; W380-F419 HydrophobicContact CG-CD2 4.25Å; W380-F419 HydrophobicContact CG-CE2 4.23Å; W380-F419 AromaticContact NE1-CE2 3.42Å; W380-F419 AromaticContact NE1-CZ 3.48Å; W380-I426 HydrophobicContact CB-CD1 4.47Å; W380-I426 HydrophobicContact CB-CG2 4.17Å; W380-V428 HydrophobicContact CD2-CG2 3.61Å; W380-V428 HydrophobicContact CE3-CG2 3.85Å; W380-V428 HydrophobicContact CG-CG2 4.01Å; W380-V428 HydrophobicContact CH2-CG1 3.76Å; W380-V428 HydrophobicContact CH2-CG2 4.29Å; W380-V428 HydrophobicContact CZ2-CB 4.4Å; W380-V428 HydrophobicContact CZ2-CG1 3.79Å; W380-V428 HydrophobicContact CZ2-CG2 4.05Å; W380-V428 HydrophobicContact CZ3-CG1 4.23Å; W380-V428 HydrophobicContact CZ3-CG2 4.19Å; W380-L444 HydrophobicContact CH2-CD1 3.73Å; W380-L444 HydrophobicContact CZ2-CD1 4.38Å; W380-M446 HydrophobicContact CE3-SD 3.8Å; W380-M446 HydrophobicContact CZ3-SD 4.47Å
381	R	96.8	Very high	96.8	Very high	13 Å²	13	26.3 Å²	26.3	5%	0.049	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-43.2	170.8	-71.6	165.8	60.8	-153.4	-9.5	111.5	L284 D286 G287 S294 D377 A378 W384 Q385 N421 I426	L284-R381 HydrophobicContact CD1-CB 4.25Å; L284-R381 HydrophobicContact CD2-CB 4.19Å; D286-R381 VanDerWaalsContact C-NH2 3.27Å; D286-R381 VanDerWaalsContact CG-NE 3.35Å; D286-R381 PolarHBondContact O-NH2 3.42Å; D286-R381 IonicContact OD1-CZ 2.72Å; D286-R381 IonicContact OD1-NE 3.13Å; D286-R381 PolarHBondContact OD1-NE 3.44Å; D286-R381 IonicContact OD1-NH2 2.8Å; D286-R381 PolarHBondContact OD1-NH2 3.28Å; D286-R381 IonicContact OD2-NE 2.8Å; D286-R381 PolarHBondContact OD2-NE 3.08Å; G287-R381 VanDerWaalsContact CA-NH2 3.28Å; G287-R381 VanDerWaalsContact N-NH2 3.15Å; S294-R381 VanDerWaalsContact O-CZ 3.3Å; S294-R381 PolarHBondContact O-NH1 2.82Å; S294-R381 PolarHBondContact O-NH2 3.21Å; D377-R381 WeakPolarHBondContact O-CB 3.29Å; D377-R381 VanDerWaalsContact O-CG 3.25Å; D377-R381 WeakPolarHBondContact O-CG 3.43Å; D377-R381 PolarHBondContact O-N 3.33Å; A378-R381 PolarHBondContact O-N 2.89Å; R381-W384 PolarHBondContact O-N 3.28Å; R381-Q385 WeakPolarHBondContact O-CB 3.44Å; R381-Q385 PolarHBondContact O-N 2.78Å; R381-N421 HydrophobicContact CG-CB 4.42Å; R381-I426 HydrophobicContact CB-CD1 4.31Å; R381-I426 HydrophobicContact CG-CD1 3.66Å
382	M	97.9	Very high	96.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-48.8	172.4	172	177.9	77.4	0	0	111.8	V282 L284 I297 A299 I366 T368 A378 F379 W380 W384 Q385 E386 V562	V282-M382 HydrophobicContact CB-SD 4.25Å; V282-M382 HydrophobicContact CG1-CG 3.89Å; V282-M382 HydrophobicContact CG1-SD 4Å; V282-M382 HydrophobicContact CG2-SD 4.24Å; L284-M382 HydrophobicContact CD2-CB 3.79Å; I297-M382 HydrophobicContact CD1-CB 4.13Å; I297-M382 HydrophobicContact CD1-CE 3.97Å; I297-M382 HydrophobicContact CD1-SD 3.92Å; I297-M382 HydrophobicContact CG2-SD 4.32Å; A299-M382 HydrophobicContact CB-CE 4.47Å; A299-M382 HydrophobicContact CB-SD 3.64Å; I366-M382 HydrophobicContact CD1-CG 4.32Å; I366-M382 HydrophobicContact CD1-SD 4.39Å; I366-M382 HydrophobicContact CG2-CE 4.17Å; I366-M382 HydrophobicContact CG2-SD 3.73Å; T368-M382 HydrophobicContact CG2-CE 4.16Å; A378-M382 PolarHBondContact O-N 2.95Å; F379-M382 HydrophobicContact CD2-CE 4.12Å; F379-M382 HydrophobicContact CE2-CE 4.25Å; F379-M382 WeakPolarHBondContact O-CB 3.41Å; F379-M382 PolarHBondContact O-N 3.26Å; W380-M382 VanDerWaalsContact C-N 3.33Å; M382-W384 VanDerWaalsContact C-N 3.26Å; M382-W384 PolarHBondContact O-N 2.8Å; M382-Q385 PolarHBondContact O-N 2.75Å; M382-E386 HydrophobicContact CG-CG 4.39Å; M382-E386 WeakPolarHBondContact O-CB 3.36Å; M382-E386 WeakPolarHBondContact O-CG 3.48Å; M382-E386 PolarHBondContact O-N 3.43Å; M382-V562 HydrophobicContact CE-CG1 3.93Å; M382-V562 HydrophobicContact CE-CG2 4.4Å
383	I	98.2	Very high	97	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.4	-42.9	178.5	-57.7	-51.2	0	0	0	111	F379 W380 K387 S388 I391 M446 V521 V562	F379-I383 HydrophobicContact CD1-CG1 4.22Å; F379-I383 HydrophobicContact CE1-CD1 4.17Å; F379-I383 HydrophobicContact CE1-CG1 3.98Å; F379-I383 HydrophobicContact CZ-CD1 4.28Å; F379-I383 WeakPolarHBondContact O-CG1 3.32Å; F379-I383 PolarHBondContact O-N 2.65Å; F379-I383 VanDerWaalsContact O-N 3.11Å; W380-I383 HydrophobicContact CE3-CB 4.06Å; W380-I383 HydrophobicContact CE3-CG1 3.96Å; W380-I383 HydrophobicContact CE3-CG2 4.27Å; W380-I383 HydrophobicContact CZ3-CB 4.49Å; W380-I383 HydrophobicContact CZ3-CG1 4.28Å; W380-I383 HydrophobicContact CZ3-CG2 4.26Å; W380-I383 PolarHBondContact O-N 2.93Å; I383-K387 PolarHBondContact O-N 3.02Å; I383-S388 VanDerWaalsContact CG2-O 3.26Å; I383-S388 WeakPolarHBondContact CG2-O 3.21Å; I383-S388 PolarHBondContact O-N 2.93Å; I383-I391 HydrophobicContact CD1-CD1 3.92Å; I383-I391 HydrophobicContact CD1-CG1 3.97Å; I383-I391 HydrophobicContact CG1-CD1 4.02Å; I383-I391 HydrophobicContact CG2-CD1 4.47Å; I383-M446 HydrophobicContact CB-CE 4.12Å; I383-M446 HydrophobicContact CG2-CE 3.69Å; I383-V521 HydrophobicContact CG2-CG1 4.38Å; I383-V521 HydrophobicContact CG2-CG2 4Å; I383-V562 HydrophobicContact CD1-CB 3.94Å; I383-V562 HydrophobicContact CD1-CG1 4.13Å; I383-V562 HydrophobicContact CD1-CG2 3.4Å
384	W	96.1	Very high	97.1	Very high	65 Å²	65	22.4 Å²	22.4	25%	0.246	11%	0.105	C	C	.	.	H	α-helix	trans	-65.6	-53	-179.8	178.7	-87.7	0	0	0	112	W380 R381 M382 E386 K387 I426 M446 R448 N517	W380-W384 WeakPolarHBondContact O-CB 3.37Å; W380-W384 PolarHBondContact O-N 3.49Å; R381-W384 PolarHBondContact O-N 3.28Å; M382-W384 VanDerWaalsContact C-N 3.26Å; M382-W384 PolarHBondContact O-N 2.8Å; W384-E386 PolarHBondContact O-N 3.39Å; W384-K387 PolarHBondContact O-N 3.35Å; W384-I426 HydrophobicContact CB-CD1 4.26Å; W384-M446 HydrophobicContact CB-CE 3.78Å; W384-M446 HydrophobicContact CB-SD 4.12Å; W384-M446 HydrophobicContact CD2-CE 4.44Å; W384-M446 HydrophobicContact CE3-CE 3.74Å; W384-M446 HydrophobicContact CE3-CG 3.85Å; W384-M446 HydrophobicContact CE3-SD 4.07Å; W384-M446 HydrophobicContact CZ3-CG 4.3Å; W384-R448 HydrophobicContact CD2-CB 3.95Å; W384-R448 HydrophobicContact CE3-CB 4.06Å; W384-R448 HydrophobicContact CH2-CB 3.76Å; W384-R448 HydrophobicContact CZ2-CB 3.59Å; W384-R448 HydrophobicContact CZ3-CB 3.99Å; W384-N517 WeakPolarHBondContact CH2-O 3.48Å
385	Q	95.5	Very high	97.1	Very high	43 Å²	43	18.2 Å²	18.2	20%	0.201	8%	0.083	C	C	.	.	H	α-helix	trans	-58.7	-48.8	-178.1	174	-178.6	-62.3	0	0	111.7	K283 L285 R381 M382 K387	K283-Q385 PolarHBondContact O-NE2 3.43Å; K283-Q385 VanDerWaalsContact O-NE2 3.08Å; L285-Q385 HydrophobicContact CD1-CG 4.23Å; L285-Q385 VanDerWaalsContact CG-OE1 3.28Å; R381-Q385 WeakPolarHBondContact O-CB 3.44Å; R381-Q385 PolarHBondContact O-N 2.78Å; M382-Q385 PolarHBondContact O-N 2.75Å; Q385-K387 PolarHBondContact O-N 3.36Å
386	E	96.1	Very high	97	Very high	38 Å²	38	23 Å²	23	18%	0.178	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.2	-175	-61.9	-56.1	130.5	0	0	112.3	Y301 I366 M382 W384 S388 G559 P560	Y301-E386 PolarHBondContact OH-OE1 3.05Å; Y301-E386 PolarHBondContact OH-OE2 3.05Å; I366-E386 HydrophobicContact CD1-CB 4.08Å; I366-E386 HydrophobicContact CD1-CG 3.74Å; M382-E386 HydrophobicContact CG-CG 4.39Å; M382-E386 WeakPolarHBondContact O-CB 3.36Å; M382-E386 WeakPolarHBondContact O-CG 3.48Å; M382-E386 PolarHBondContact O-N 3.43Å; W384-E386 PolarHBondContact O-N 3.39Å; E386-S388 PolarHBondContact O-N 2.78Å; E386-G559 VanDerWaalsContact O-CA 3.25Å; E386-G559 WeakPolarHBondContact O-CA 3.45Å; E386-P560 HydrophobicContact CB-CG 4.18Å
387	K	96	Very high	97	Very high	136 Å²	136	24.9 Å²	24.9	59%	0.591	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	36.2	-173.5	-56.3	-177.8	179.5	-178	0	111.7	I383 W384 Q385 A389 G559	I383-K387 PolarHBondContact O-N 3.02Å; W384-K387 PolarHBondContact O-N 3.35Å; Q385-K387 PolarHBondContact O-N 3.36Å; K387-A389 PolarHBondContact O-N 3.29Å; K387-G559 WeakPolarHBondContact O-CA 3.36Å; K387-G559 PolarHBondContact O-N 3.45Å
388	S	98	Very high	96.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.127	C	C	.	.			trans	-70.1	100.2	179.8	-70.5	0	0	0	0	109.8	I383 E386 V390 P560 V562	I383-S388 VanDerWaalsContact CG2-O 3.26Å; I383-S388 WeakPolarHBondContact CG2-O 3.21Å; I383-S388 PolarHBondContact O-N 2.93Å; E386-S388 PolarHBondContact O-N 2.78Å; S388-V390 VanDerWaalsContact C-N 3.29Å; S388-P560 VanDerWaalsContact CB-O 3.27Å; S388-P560 WeakPolarHBondContact CB-O 3.45Å; S388-P560 PolarHBondContact OG-O 2.8Å; S388-V562 WeakPolarHBondContact OG-CG2 3.48Å
389	A	97.9	Very high	96.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	13%	0.127	C	C	.	.			trans	-80.7	-10.5	180	0	0	0	0	0	113	K387 L519 V521 Y522 I555 A558	K387-A389 PolarHBondContact O-N 3.29Å; A389-L519 HydrophobicContact CB-CD1 4.49Å; A389-V521 CarbonylContact O-C 3.58Å; A389-V521 WeakPolarHBondContact O-CA 3.5Å; A389-Y522 PolarHBondContact O-N 2.93Å; A389-I555 HydrophobicContact CB-CD1 3.8Å; A389-I555 HydrophobicContact CB-CG2 4.09Å; A389-A558 HydrophobicContact CB-CB 4.15Å
390	V	98.7	Very high	96.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.1	-177.5	-176.1	0	0	0	0	110.8	S388 V392 Y522 Y524 I548 R551 Q552 I555 I561 V562	S388-V390 VanDerWaalsContact C-N 3.29Å; V390-V392 HydrophobicContact CG1-CG2 4.24Å; V390-Y522 WeakPolarHBondContact CA-O 3.34Å; V390-Y524 HydrophobicContact CG1-CD2 3.91Å; V390-Y524 HydrophobicContact CG1-CE2 4.1Å; V390-I548 HydrophobicContact CG1-CG2 4.21Å; V390-R551 HydrophobicContact CG2-CG 4.14Å; V390-Q552 VanDerWaalsContact CG2-OE1 3.28Å; V390-I555 HydrophobicContact CG2-CD1 4.42Å; V390-I561 HydrophobicContact CB-CG1 4.47Å; V390-I561 HydrophobicContact CB-CG2 4.42Å; V390-I561 HydrophobicContact CG1-CG2 4.13Å; V390-V562 PolarHBondContact O-N 2.92Å
391	I	98.8	Very high	95.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.6	173.6	-56.4	172.3	0	0	0	108.8	F379 W380 I383 Y408 V521 Y522 Y524 V562	F379-I391 HydrophobicContact CE1-CD1 4.13Å; F379-I391 HydrophobicContact CZ-CD1 4.43Å; F379-I391 HydrophobicContact CZ-CG2 4.3Å; W380-I391 HydrophobicContact CH2-CD1 4.08Å; W380-I391 HydrophobicContact CZ3-CD1 3.99Å; I383-I391 HydrophobicContact CD1-CD1 3.92Å; I383-I391 HydrophobicContact CD1-CG1 3.97Å; I383-I391 HydrophobicContact CG1-CD1 4.02Å; I383-I391 HydrophobicContact CG2-CD1 4.47Å; I391-Y408 WeakPolarHBondContact CG2-OH 3.37Å; I391-V521 HydrophobicContact CD1-CG1 3.59Å; I391-V521 HydrophobicContact CG1-CG1 3.81Å; I391-Y522 PolarHBondContact N-O 2.75Å; I391-Y524 PolarHBondContact O-N 2.9Å; I391-V562 CarbonylContact C-O 3.57Å; I391-V562 WeakPolarHBondContact CA-O 3.3Å; I391-V562 HydrophobicContact CG1-CB 4.47Å
392	V	98.7	Very high	95.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	105.3	178.9	-176	0	0	0	0	109.1	V390 I394 F544 I548 I561 V562 V563 H564 F575	V390-V392 HydrophobicContact CG1-CG2 4.24Å; V392-I394 HydrophobicContact CG1-CD1 3.93Å; V392-I394 HydrophobicContact CG1-CG1 3.74Å; V392-F544 HydrophobicContact CG1-CE1 3.7Å; V392-F544 HydrophobicContact CG1-CZ 3.9Å; V392-I548 HydrophobicContact CB-CD1 4.42Å; V392-I548 HydrophobicContact CG1-CD1 3.91Å; V392-I548 HydrophobicContact CG2-CD1 3.6Å; V392-I548 HydrophobicContact CG2-CG1 4.21Å; V392-I548 HydrophobicContact CG2-CG2 4.15Å; V392-I561 HydrophobicContact CG2-CG2 3.56Å; V392-V562 PolarHBondContact N-O 3.47Å; V392-V563 HydrophobicContact CB-CB 4.47Å; V392-V563 HydrophobicContact CB-CG1 4.2Å; V392-V563 HydrophobicContact CB-CG2 4.25Å; V392-V563 HydrophobicContact CG1-CG1 4.24Å; V392-V563 WeakPolarHBondContact O-CA 3.23Å; V392-H564 PolarHBondContact O-N 3.35Å; V392-F575 HydrophobicContact CG1-CE1 4.19Å; V392-F575 HydrophobicContact CG1-CE2 4.23Å; V392-F575 HydrophobicContact CG1-CZ 3.98Å
393	M	98.3	Very high	95.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.1	177.7	176.2	169.6	-178.3	0	0	110.3	T395 I397 C405 Y408 W409 Y524 H525 F526 H564	M393-T395 HydrophobicContact CE-CG2 3.95Å; M393-T395 WeakPolarHBondContact CE-O 3.48Å; M393-T395 HydrophobicContact CG-CG2 4.42Å; M393-I397 HydrophobicContact CE-CG1 4.31Å; M393-C405 HydrophobicContact CE-CB 3.56Å; M393-Y408 HydrophobicContact SD-CE1 4.22Å; M393-W409 HydrophobicContact CE-CH2 3.98Å; M393-W409 HydrophobicContact CE-CZ3 4.19Å; M393-W409 HydrophobicContact SD-CH2 3.6Å; M393-W409 HydrophobicContact SD-CZ3 3.55Å; M393-W409 VanDerWaalsContact SD-CZ3 3.55Å; M393-Y524 PolarHBondContact N-O 2.82Å; M393-H525 CarbonylContact O-C 3.59Å; M393-H525 WeakPolarHBondContact O-CA 3.42Å; M393-F526 PolarHBondContact O-N 3.34Å; M393-H564 WeakPolarHBondContact CA-O 2.8Å; M393-H564 WeakPolarHBondContact CB-NE2 3.44Å; M393-H564 WeakPolarHBondContact CG-CE1 3.47Å
394	I	96.4	Very high	95.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.244	C	C	.	.			trans	-109	41	-172.6	-39.9	178.5	0	0	0	111.7	V392 F526 W529 V563 H564 R571 F575	V392-I394 HydrophobicContact CG1-CD1 3.93Å; V392-I394 HydrophobicContact CG1-CG1 3.74Å; I394-F526 HydrophobicContact CG2-CB 4.27Å; I394-F526 HydrophobicContact CG2-CD1 3.9Å; I394-F526 HydrophobicContact CG2-CG 4.45Å; I394-W529 HydrophobicContact CG2-CB 4.26Å; I394-W529 HydrophobicContact CG2-CD2 4.19Å; I394-W529 HydrophobicContact CG2-CE3 3.62Å; I394-W529 HydrophobicContact CG2-CG 4.49Å; I394-W529 HydrophobicContact CG2-CZ3 4.32Å; I394-V563 HydrophobicContact CD1-CG1 3.87Å; I394-H564 PolarHBondContact N-O 2.95Å; I394-R571 HydrophobicContact CB-CB 4.49Å; I394-R571 HydrophobicContact CG2-CB 4.19Å; I394-R571 VanDerWaalsContact O-CD 3.22Å; I394-R571 WeakPolarHBondContact O-CD 3.4Å; I394-R571 PolarHBondContact O-NH1 3.36Å; I394-F575 HydrophobicContact CD1-CB 3.43Å; I394-F575 VanDerWaalsContact CD1-CB 3.43Å; I394-F575 HydrophobicContact CD1-CD1 4.09Å; I394-F575 HydrophobicContact CD1-CD2 3.57Å; I394-F575 HydrophobicContact CD1-CE2 4.38Å; I394-F575 HydrophobicContact CD1-CG 3.41Å; I394-F575 VanDerWaalsContact CD1-CG 3.41Å
395	T	94.8	Very high	95.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	23%	0.233	C	C	.	.	S	Bend	trans	-154.9	151.4	177.7	-169	0	0	0	0	110.5	M393 E399 K404 C405 H525 C565	M393-T395 HydrophobicContact CE-CG2 3.95Å; M393-T395 WeakPolarHBondContact CE-O 3.48Å; M393-T395 HydrophobicContact CG-CG2 4.42Å; T395-E399 WeakPolarHBondContact CA-OE1 3.38Å; T395-E399 PolarHBondContact OG1-OE1 2.96Å; T395-K404 HydrophobicContact CG2-CB 4.27Å; T395-K404 WeakPolarHBondContact OG1-CB 3.2Å; T395-C405 HydrophobicContact CG2-CB 4.27Å; T395-H525 PolarHBondContact O-CD2 3.31Å; T395-H525 PolarHBondContact O-NE2 3.41Å; T395-C565 WeakPolarHBondContact CG2-O 3.39Å
396	K	94.5	Very high	95.1	Very high	106 Å²	106	48.9 Å²	48.9	46%	0.461	23%	0.234	S	C	.	.			trans	-72.9	157.9	165.8	-59.1	-178.3	-176.6	-176.8	0	109.4	M398 E399 K404 T527	K396-M398 WeakPolarHBondContact CB-O 3.33Å; K396-M398 PolarHBondContact O-N 3.08Å; K396-E399 HydrophobicContact CB-CG 3.83Å; K396-E399 HydrophobicContact CG-CG 4.41Å; K396-E399 PolarHBondContact N-OE1 2.95Å; K396-K404 WeakPolarHBondContact O-CB 3.49Å; K396-T527 WeakPolarHBondContact CE-O 3.42Å; K396-T527 HydrophobicContact CG-CG2 4.47Å
397	I	94.8	Very high	95.1	Very high	61 Å²	61	50.3 Å²	50.3	31%	0.313	24%	0.238	S	C	.	.	S	Bend	trans	-55.6	-40.5	172.1	-75.8	166.1	0	0	0	110.7	M393 K404 C405 R407 W409	M393-I397 HydrophobicContact CE-CG1 4.31Å; I397-K404 PolarHBondContact O-N 3.3Å; I397-C405 WeakPolarHBondContact CG2-O 3.21Å; I397-C405 PolarHBondContact O-N 3.05Å; I397-R407 HydrophobicContact CD1-CB 3.88Å; I397-R407 HydrophobicContact CD1-CG 4.44Å; I397-W409 HydrophobicContact CD1-CH2 3.95Å; I397-W409 HydrophobicContact CD1-CZ2 4.08Å; I397-W409 HydrophobicContact CG1-CH2 4.13Å
398	M	93	Very high	95.2	Very high	113 Å²	113	43.9 Å²	43.9	56%	0.557	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.9	177.5	-170.7	178.8	-67	0	0	110.3	K396 R402	K396-M398 WeakPolarHBondContact CB-O 3.33Å; K396-M398 PolarHBondContact O-N 3.08Å; M398-R402 WeakPolarHBondContact CA-O 3.38Å
399	E	90.5	Very high	95.2	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.6	173.6	-58.8	174.1	-177	0	0	108.1	T395 K396 G401 R402 K404 D531 R571	T395-E399 WeakPolarHBondContact CA-OE1 3.38Å; T395-E399 PolarHBondContact OG1-OE1 2.96Å; K396-E399 HydrophobicContact CB-CG 3.83Å; K396-E399 HydrophobicContact CG-CG 4.41Å; K396-E399 PolarHBondContact N-OE1 2.95Å; E399-G401 PolarHBondContact O-N 3.34Å; E399-R402 PolarHBondContact N-O 2.93Å; E399-R402 PolarHBondContact O-N 2.82Å; E399-K404 HydrophobicContact CB-CG 4Å; E399-K404 HydrophobicContact CG-CG 3.94Å; E399-D531 HydrophobicContact CB-CB 4.19Å; E399-D531 WeakPolarHBondContact OE2-CB 3.34Å; E399-D531 VanDerWaalsContact OE2-CG 3.3Å; E399-D531 VanDerWaalsContact OE2-OD1 3.12Å; E399-R571 IonicContact OE1-CZ 2.86Å; E399-R571 IonicContact OE1-NH1 2.95Å; E399-R571 PolarHBondContact OE1-NH1 3.18Å; E399-R571 IonicContact OE1-NH2 2.82Å; E399-R571 IonicContact OE2-CZ 3.92Å; E399-R571 IonicContact OE2-NH1 3.86Å; E399-R571 IonicContact OE2-NH2 3.2Å; E399-R571 PolarHBondContact OE2-NH2 3.06Å
400	R	88.2	Confident	95.2	Very high	177 Å²	177	44.1 Å²	44.1	67%	0.668	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	42.4	-178.4	-58.8	-177.3	173.1	-163.3	-1.8	113.4	R402 D531 H532	R400-R402 PolarHBondContact O-N 3.03Å; R400-D531 HydrophobicContact CG-CB 4.44Å; R400-H532 PolarHBondContact NH1-CD2 3.47Å; R400-H532 PolarHBondContact NH1-NE2 2.9Å
401	G	90.1	Very high	95.2	Very high	65 Å²	65	45.8 Å²	45.8	67%	0.67	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	1.8	-179.8	0	0	0	0	0	115.3	E399	E399-G401 PolarHBondContact O-N 3.34Å
402	R	91.7	Very high	95.1	Very high	163 Å²	163	49 Å²	49	62%	0.615	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102	131.7	177	-64.4	-175.4	179.2	131.8	-2.9	110.4	M398 E399 R400 K404	M398-R402 WeakPolarHBondContact CA-O 3.38Å; E399-R402 PolarHBondContact N-O 2.93Å; E399-R402 PolarHBondContact O-N 2.82Å; R400-R402 PolarHBondContact O-N 3.03Å; R402-K404 PolarHBondContact O-N 2.79Å
403	N	93.4	Very high	95	Very high	85 Å²	85	57.3 Å²	57.3	46%	0.455	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	117	172	-177.3	-43.8	0	0	0	109.6	R270 C405	R270-N403 PolarHBondContact NH1-O 3.31Å; N403-C405 PolarHBondContact OD1-N 2.9Å; N403-C405 VanDerWaalsContact OD1-N 3.17Å; N403-C405 PolarHBondContact OD1-O 3.28Å
404	K	94.8	Very high	95	Very high	24 Å²	24	61 Å²	61	10%	0.104	30%	0.303	C	S	.	.			trans	-98.4	-28.8	178.8	-59.5	-66.3	-172.5	162.2	0	112.2	R270 T395 K396 I397 E399 R402 D531 S566	R270-K404 PolarHBondContact NE-O 2.97Å; R270-K404 PolarHBondContact NH1-O 2.96Å; R270-K404 PolarHBondContact NH2-O 3.32Å; T395-K404 HydrophobicContact CG2-CB 4.27Å; T395-K404 WeakPolarHBondContact OG1-CB 3.2Å; K396-K404 WeakPolarHBondContact O-CB 3.49Å; I397-K404 PolarHBondContact O-N 3.3Å; E399-K404 HydrophobicContact CB-CG 4Å; E399-K404 HydrophobicContact CG-CG 3.94Å; R402-K404 PolarHBondContact O-N 2.79Å; K404-D531 WeakPolarHBondContact CE-OD1 3.43Å; K404-D531 VanDerWaalsContact NZ-CG 3.3Å; K404-D531 IonicContact NZ-OD1 3.79Å; K404-D531 PolarHBondContact NZ-OD1 2.83Å; K404-D531 IonicContact NZ-OD2 2.74Å; K404-D531 PolarHBondContact NZ-OD2 2.75Å; K404-D531 VanDerWaalsContact NZ-OD2 3.14Å; K404-S566 WeakPolarHBondContact CD-OG 2.99Å; K404-S566 WeakPolarHBondContact O-CA 3.11Å; K404-S566 PolarHBondContact O-OG 2.86Å
405	C	96.4	Very high	95	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.316	C	S	.	.			trans	-156	140.4	178.4	-168.8	0	0	0	0	109.5	A371 M393 T395 I397 N403	A371-C405 PolarHBondContact N-SG 2.77Å; M393-C405 HydrophobicContact CE-CB 3.56Å; T395-C405 HydrophobicContact CG2-CB 4.27Å; I397-C405 WeakPolarHBondContact CG2-O 3.21Å; I397-C405 PolarHBondContact O-N 3.05Å; N403-C405 PolarHBondContact OD1-N 2.9Å; N403-C405 VanDerWaalsContact OD1-N 3.17Å; N403-C405 PolarHBondContact OD1-O 3.28Å
406	I	96.1	Very high	95.1	Very high	45 Å²	45	65.2 Å²	65.2	23%	0.231	34%	0.335	C	S	.	.			trans	-74.3	150.2	165.6	-160.7	166.5	0	0	0	109.6	A371 A373 Q376 Y408	A371-I406 HydrophobicContact CB-CG2 4Å; A371-I406 WeakPolarHBondContact O-CG2 3.44Å; A371-I406 PolarHBondContact O-N 3.39Å; A373-I406 HydrophobicContact CB-CD1 4.07Å; Q376-I406 HydrophobicContact CG-CG2 3.72Å; I406-Y408 WeakPolarHBondContact O-CD1 3.34Å; I406-Y408 PolarHBondContact O-N 3.44Å
407	R	97.1	Very high	95.3	Very high	68 Å²	68	63 Å²	63	26%	0.257	32%	0.323	S	S	.	.			trans	-70	110.8	167.4	-176.8	177.1	56.4	76.4	-5.5	108	Q376 I397 W409 E414 R417	Q376-R407 PolarHBondContact OE1-O 3.11Å; I397-R407 HydrophobicContact CD1-CB 3.88Å; I397-R407 HydrophobicContact CD1-CG 4.44Å; R407-W409 HydrophobicContact CG-CD2 3.78Å; R407-W409 HydrophobicContact CG-CE3 4.15Å; R407-W409 HydrophobicContact CG-CG 4.23Å; R407-W409 HydrophobicContact CG-CH2 4.29Å; R407-W409 HydrophobicContact CG-CZ2 3.92Å; R407-W409 HydrophobicContact CG-CZ3 4.38Å; R407-W409 WeakPolarHBondContact CG-O 3.5Å; R407-W409 PolarHBondContact NH1-O 2.94Å; R407-E414 IonicContact CZ-OE1 3.9Å; R407-E414 IonicContact CZ-OE2 2.67Å; R407-E414 IonicContact NH1-OE1 3.62Å; R407-E414 PolarHBondContact NH1-OE1 3.42Å; R407-E414 IonicContact NH1-OE2 2.94Å; R407-E414 PolarHBondContact NH1-OE2 3.38Å; R407-E414 IonicContact NH2-OE1 2.78Å; R407-E414 PolarHBondContact NH2-OE1 3.49Å; R407-E414 IonicContact NH2-OE2 3.31Å; R407-E414 PolarHBondContact NH2-OE2 3.06Å; R407-R417 PolarHBondContact O-NH1 3.2Å
408	Y	97.4	Very high	95.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.333	C	S	.	.			trans	-101.4	-5.1	-179.3	55.7	-98.4	0	0	0	113.1	A371 F379 W380 I391 M393 I406 F419 H523 H564	A371-Y408 HydrophobicContact CB-CD1 3.78Å; A371-Y408 HydrophobicContact CB-CG 4.29Å; F379-Y408 AromaticContact CD1-CD2 3.98Å; F379-Y408 HydrophobicContact CD1-CD2 3.98Å; F379-Y408 HydrophobicContact CD1-CE2 4.22Å; F379-Y408 HydrophobicContact CD1-CG 4.38Å; F379-Y408 AromaticContact CE1-CD2 3.64Å; F379-Y408 HydrophobicContact CE1-CD2 3.64Å; F379-Y408 HydrophobicContact CE1-CE1 4.46Å; F379-Y408 AromaticContact CE1-CE2 3.41Å; F379-Y408 HydrophobicContact CE1-CE2 3.41Å; F379-Y408 VanDerWaalsContact CE1-CE2 3.41Å; F379-Y408 HydrophobicContact CE1-CG 4.29Å; F379-Y408 AromaticContact CE1-CZ 3.84Å; F379-Y408 HydrophobicContact CZ-CD2 4.42Å; F379-Y408 HydrophobicContact CZ-CE1 4.35Å; F379-Y408 AromaticContact CZ-CE2 3.89Å; F379-Y408 HydrophobicContact CZ-CE2 3.89Å; F379-Y408 AromaticContact CZ-CZ 3.82Å; W380-Y408 AromaticContact CE2-CD2 3.92Å; W380-Y408 HydrophobicContact CH2-CD2 4.39Å; W380-Y408 HydrophobicContact CH2-CE2 4.44Å; W380-Y408 AromaticContact CZ2-CD2 3.58Å; W380-Y408 HydrophobicContact CZ2-CD2 3.58Å; W380-Y408 HydrophobicContact CZ2-CE2 4.05Å; W380-Y408 PolarHBondContact NE1-O 3.24Å; I391-Y408 WeakPolarHBondContact CG2-OH 3.37Å; M393-Y408 HydrophobicContact SD-CE1 4.22Å; I406-Y408 WeakPolarHBondContact O-CD1 3.34Å; I406-Y408 PolarHBondContact O-N 3.44Å; Y408-F419 WeakPolarHBondContact O-CZ 3.12Å; Y408-H523 AromaticContact CE2-NE2 3.97Å; Y408-H523 AromaticContact CZ-NE2 3.56Å; Y408-H523 PolarHBondContact OH-CD2 2.97Å; Y408-H523 VanDerWaalsContact OH-CD2 3.29Å; Y408-H523 PolarHBondContact OH-NE2 3.08Å; Y408-H564 AromaticContact CE1-CE1 3.73Å; Y408-H564 AromaticContact CE1-NE2 3.48Å; Y408-H564 WeakPolarHBondContact CE1-NE2 3.31Å; Y408-H564 AromaticContact CZ-NE2 3.48Å; Y408-H564 PolarHBondContact OH-NE2 3.45Å
409	W	98.1	Very high	95.5	Very high	7 Å²	7	60.7 Å²	60.7	3%	0.027	31%	0.309	C	S	.	.	S	Bend	trans	-105.3	155.9	178.3	61.5	94.5	0	0	0	111.6	W380 M393 I397 R407 R442 L444 H523	W380-W409 HydrophobicContact CZ2-CB 4.34Å; M393-W409 HydrophobicContact CE-CH2 3.98Å; M393-W409 HydrophobicContact CE-CZ3 4.19Å; M393-W409 HydrophobicContact SD-CH2 3.6Å; M393-W409 HydrophobicContact SD-CZ3 3.55Å; M393-W409 VanDerWaalsContact SD-CZ3 3.55Å; I397-W409 HydrophobicContact CD1-CH2 3.95Å; I397-W409 HydrophobicContact CD1-CZ2 4.08Å; I397-W409 HydrophobicContact CG1-CH2 4.13Å; R407-W409 HydrophobicContact CG-CD2 3.78Å; R407-W409 HydrophobicContact CG-CE3 4.15Å; R407-W409 HydrophobicContact CG-CG 4.23Å; R407-W409 HydrophobicContact CG-CH2 4.29Å; R407-W409 HydrophobicContact CG-CZ2 3.92Å; R407-W409 HydrophobicContact CG-CZ3 4.38Å; R407-W409 WeakPolarHBondContact CG-O 3.5Å; R407-W409 PolarHBondContact NH1-O 2.94Å; W409-R442 VanDerWaalsContact NE1-NE 3.16Å; W409-L444 HydrophobicContact CB-CD1 3.95Å; W409-H523 AromaticContact CE3-CE1 3.86Å; W409-H523 AromaticContact CE3-NE2 3.93Å; W409-H523 AromaticContact CZ3-CE1 3.88Å; W409-H523 AromaticContact CZ3-NE2 3.99Å
410	P	98.1	Very high	95.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.337	C	S	.	.			trans	-66.6	145.9	172.3	29.3	-38	0	0	0	112.8	E414 R417 V428 H430 L444	P410-E414 VanDerWaalsContact CA-OE2 3.3Å; P410-E414 WeakPolarHBondContact CA-OE2 3.45Å; P410-E414 HydrophobicContact CB-CB 4.41Å; P410-R417 HydrophobicContact CB-CB 4.49Å; P410-R417 HydrophobicContact CB-CG 3.96Å; P410-V428 HydrophobicContact CG-CG1 4.26Å; P410-V428 WeakPolarHBondContact CG-O 3.34Å; P410-H430 HydrophobicContact CB-CB 4.3Å; P410-H430 HydrophobicContact CG-CB 3.97Å; P410-L444 HydrophobicContact CG-CD2 4.22Å
411	T	97.3	Very high	95.5	Very high	34 Å²	34	57.6 Å²	57.6	21%	0.209	31%	0.312	C	S	.	.			trans	-79.5	169.5	162	71.2	0	0	0	0	111.1	E413 E414 G415	T411-E413 VanDerWaalsContact CB-OE2 3.31Å; T411-E413 WeakPolarHBondContact CB-OE2 3.43Å; T411-E413 PolarHBondContact O-N 3.48Å; T411-E413 PolarHBondContact OG1-N 3.44Å; T411-E413 PolarHBondContact OG1-OE2 3.45Å; T411-E414 PolarHBondContact N-OE2 3.27Å; T411-E414 PolarHBondContact O-N 2.78Å; T411-E414 PolarHBondContact OG1-N 2.97Å; T411-G415 PolarHBondContact O-N 3.26Å
412	A	96.9	Very high	95.4	Very high	69 Å²	69	60.7 Å²	60.7	57%	0.57	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.4	172	0	0	0	0	0	112.1
413	E	97.2	Very high	95	Very high	173 Å²	173	54.9 Å²	54.9	81%	0.808	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-37.5	177	-49.2	101.3	174.3	0	0	112.7	T411 G415	T411-E413 VanDerWaalsContact CB-OE2 3.31Å; T411-E413 WeakPolarHBondContact CB-OE2 3.43Å; T411-E413 PolarHBondContact O-N 3.48Å; T411-E413 PolarHBondContact OG1-N 3.44Å; T411-E413 PolarHBondContact OG1-OE2 3.45Å; E413-G415 VanDerWaalsContact C-N 3.32Å
414	E	97.2	Very high	94.8	Very high	77 Å²	77	51.8 Å²	51.8	36%	0.36	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-35.2	175.9	-71.3	174.9	157.4	0	0	111.6	R407 P410 T411 V416 R417	R407-E414 IonicContact CZ-OE1 3.9Å; R407-E414 IonicContact CZ-OE2 2.67Å; R407-E414 IonicContact NH1-OE1 3.62Å; R407-E414 PolarHBondContact NH1-OE1 3.42Å; R407-E414 IonicContact NH1-OE2 2.94Å; R407-E414 PolarHBondContact NH1-OE2 3.38Å; R407-E414 IonicContact NH2-OE1 2.78Å; R407-E414 PolarHBondContact NH2-OE1 3.49Å; R407-E414 IonicContact NH2-OE2 3.31Å; R407-E414 PolarHBondContact NH2-OE2 3.06Å; P410-E414 VanDerWaalsContact CA-OE2 3.3Å; P410-E414 WeakPolarHBondContact CA-OE2 3.45Å; P410-E414 HydrophobicContact CB-CB 4.41Å; T411-E414 PolarHBondContact N-OE2 3.27Å; T411-E414 PolarHBondContact O-N 2.78Å; T411-E414 PolarHBondContact OG1-N 2.97Å; E414-V416 PolarHBondContact O-N 3Å; E414-R417 WeakPolarHBondContact OE2-CD 3.48Å
415	G	97.6	Very high	94.8	Very high	27 Å²	27	52 Å²	52	28%	0.278	29%	0.286	S	S	.	.			trans	71.6	-51.5	-179.9	0	0	0	0	0	113.6	T411 E413 R429 H430	T411-G415 PolarHBondContact O-N 3.26Å; E413-G415 VanDerWaalsContact C-N 3.32Å; G415-R429 CarbonylContact O-C 3.54Å; G415-R429 WeakPolarHBondContact O-CA 3.42Å; G415-H430 PolarHBondContact O-N 3.22Å
416	V	97.6	Very high	94.7	Very high	64 Å²	64	52 Å²	52	39%	0.388	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.6	179.7	65.5	0	0	0	0	111.1	E414 R427 V428 R429	E414-V416 PolarHBondContact O-N 3Å; V416-R427 HydrophobicContact CG2-CB 4.06Å; V416-V428 CarbonylContact C-O 3.57Å; V416-V428 WeakPolarHBondContact CA-O 3.44Å; V416-R429 HydrophobicContact CG2-CB 4.5Å
417	R	97.6	Very high	94.8	Very high	58 Å²	58	53 Å²	53	22%	0.219	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.2	165.4	-71.2	-177.4	88.9	-163.2	1.2	109.6	R407 P410 E414 F419 V428	R407-R417 PolarHBondContact O-NH1 3.2Å; P410-R417 HydrophobicContact CB-CB 4.49Å; P410-R417 HydrophobicContact CB-CG 3.96Å; E414-R417 WeakPolarHBondContact OE2-CD 3.48Å; R417-F419 HydrophobicContact CB-CE2 3.87Å; R417-F419 HydrophobicContact CB-CZ 3.98Å; R417-V428 PolarHBondContact N-O 3.35Å; R417-V428 PolarHBondContact O-N 2.93Å
418	E	96.7	Very high	94.8	Very high	110 Å²	110	49.7 Å²	49.7	51%	0.514	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.8	-179.7	-53.6	-164.6	147.5	0	0	110.3	T425 R427	E418-T425 HydrophobicContact CB-CG2 4.02Å; E418-R427 HydrophobicContact CG-CG 4.03Å; E418-R427 VanDerWaalsContact OE1-CD 3.28Å; E418-R427 WeakPolarHBondContact OE1-CD 3.49Å; E418-R427 IonicContact OE1-CZ 2.75Å; E418-R427 IonicContact OE1-NE 3.33Å; E418-R427 PolarHBondContact OE1-NE 3.27Å
419	F	95.3	Very high	94.9	Very high	16 Å²	16	54 Å²	54	7%	0.07	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	94.7	178.3	-58.1	-83.3	0	0	0	107.8	Q376 D377 W380 Y408 R417 I426 V428	Q376-F419 HydrophobicContact CB-CD1 4.23Å; Q376-F419 HydrophobicContact CB-CE1 3.82Å; D377-F419 HydrophobicContact CB-CB 4.25Å; W380-F419 AromaticContact CD1-CD2 3.61Å; W380-F419 AromaticContact CD1-CE1 3.98Å; W380-F419 AromaticContact CD1-CE2 3.34Å; W380-F419 AromaticContact CD1-CZ 3.55Å; W380-F419 HydrophobicContact CG-CD2 4.25Å; W380-F419 HydrophobicContact CG-CE2 4.23Å; W380-F419 AromaticContact NE1-CE2 3.42Å; W380-F419 AromaticContact NE1-CZ 3.48Å; Y408-F419 WeakPolarHBondContact O-CZ 3.12Å; R417-F419 HydrophobicContact CB-CE2 3.87Å; R417-F419 HydrophobicContact CB-CZ 3.98Å; F419-I426 HydrophobicContact CB-CB 4.46Å; F419-I426 PolarHBondContact N-O 2.89Å; F419-I426 PolarHBondContact O-N 3.43Å; F419-V428 HydrophobicContact CD2-CG2 4.17Å; F419-V428 HydrophobicContact CE2-CB 4.33Å; F419-V428 HydrophobicContact CE2-CG2 3.93Å
420	P	91.3	Very high	94.9	Very high	98 Å²	98	55.2 Å²	55.2	64%	0.636	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	137.3	175.2	-22.1	33.5	0	0	0	110.4
421	N	87.6	Confident	94.9	Very high	26 Å²	26	58.2 Å²	58.2	14%	0.139	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	173.1	175.9	66.6	-21.2	0	0	0	111.2	D286 R381 G423 G424 T425 R448	D286-N421 PolarHBondContact OD2-ND2 2.91Å; R381-N421 HydrophobicContact CG-CB 4.42Å; N421-G423 PolarHBondContact O-N 3.4Å; N421-G424 PolarHBondContact N-O 3.25Å; N421-G424 VanDerWaalsContact N-O 3.13Å; N421-G424 PolarHBondContact O-N 3.46Å; N421-G424 PolarHBondContact OD1-O 2.95Å; N421-T425 PolarHBondContact OD1-N 3.45Å; N421-R448 PolarHBondContact ND2-NH2 3.34Å
422	Y	87.4	Confident	94.9	Very high	131 Å²	131	58.2 Å²	58.2	51%	0.514	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	126.2	176.9	-175.1	-105.4	0	0	0	110.9	N288 G424	N288-Y422 HydrophobicContact CB-CD2 3.71Å; N288-Y422 HydrophobicContact CB-CE2 4.39Å; N288-Y422 HydrophobicContact CB-CG 3.86Å; Y422-G424 VanDerWaalsContact C-N 3.3Å; Y422-G424 PolarHBondContact O-N 3.01Å
423	G	84.2	Confident	95	Very high	40 Å²	40	58.9 Å²	58.9	41%	0.412	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	10.1	178.5	0	0	0	0	0	115.9	N421 S451	N421-G423 PolarHBondContact O-N 3.4Å; G423-S451 WeakPolarHBondContact O-CB 3.3Å; G423-S451 PolarHBondContact O-N 3.06Å
424	G	89.4	Confident	94.9	Very high	20 Å²	20	57 Å²	57	21%	0.206	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.1	-161.4	177.1	0	0	0	0	0	115.1	N421 Y422	N421-G424 PolarHBondContact N-O 3.25Å; N421-G424 VanDerWaalsContact N-O 3.13Å; N421-G424 PolarHBondContact O-N 3.46Å; N421-G424 PolarHBondContact OD1-O 2.95Å; Y422-G424 VanDerWaalsContact C-N 3.3Å; Y422-G424 PolarHBondContact O-N 3.01Å
425	T	93.9	Very high	94.8	Very high	28 Å²	28	58.5 Å²	58.5	17%	0.172	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	131	172.6	-65.8	0	0	0	0	108.4	E418 N421 R427 R448 D449	E418-T425 HydrophobicContact CB-CG2 4.02Å; N421-T425 PolarHBondContact OD1-N 3.45Å; T425-R427 HydrophobicContact CG2-CG 4.32Å; T425-R448 WeakPolarHBondContact O-CA 3.42Å; T425-D449 PolarHBondContact O-N 3.49Å
426	I	95.8	Very high	94.5	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.5	171	-66.3	177.4	0	0	0	108.2	W380 R381 W384 F419 V428 M446 T447 R448	W380-I426 HydrophobicContact CB-CD1 4.47Å; W380-I426 HydrophobicContact CB-CG2 4.17Å; R381-I426 HydrophobicContact CB-CD1 4.31Å; R381-I426 HydrophobicContact CG-CD1 3.66Å; W384-I426 HydrophobicContact CB-CD1 4.26Å; F419-I426 HydrophobicContact CB-CB 4.46Å; F419-I426 PolarHBondContact N-O 2.89Å; F419-I426 PolarHBondContact O-N 3.43Å; I426-V428 HydrophobicContact CG2-CG2 4.18Å; I426-M446 HydrophobicContact CG2-CG 3.68Å; I426-M446 HydrophobicContact CG2-SD 3.67Å; I426-T447 WeakPolarHBondContact CA-O 3.41Å; I426-R448 HydrophobicContact CG1-CB 4.39Å; I426-R448 HydrophobicContact CG1-CG 4.15Å
427	R	97	Very high	94.1	Very high	65 Å²	65	63.6 Å²	63.6	25%	0.245	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.7	173.6	-58	-168.9	-176.9	74.6	7.5	109.7	V416 E418 T425 M446 T447 D449	V416-R427 HydrophobicContact CG2-CB 4.06Å; E418-R427 HydrophobicContact CG-CG 4.03Å; E418-R427 VanDerWaalsContact OE1-CD 3.28Å; E418-R427 WeakPolarHBondContact OE1-CD 3.49Å; E418-R427 IonicContact OE1-CZ 2.75Å; E418-R427 IonicContact OE1-NE 3.33Å; E418-R427 PolarHBondContact OE1-NE 3.27Å; T425-R427 HydrophobicContact CG2-CG 4.32Å; R427-M446 CarbonylContact O-C 3.57Å; R427-M446 VanDerWaalsContact O-CA 3.27Å; R427-M446 WeakPolarHBondContact O-CA 3.39Å; R427-T447 PolarHBondContact N-O 2.78Å; R427-T447 PolarHBondContact O-N 3Å; R427-D449 IonicContact CZ-OD1 3.58Å; R427-D449 IonicContact CZ-OD2 3.96Å; R427-D449 IonicContact NH1-OD1 3.59Å; R427-D449 PolarHBondContact NH1-OD1 3.48Å; R427-D449 IonicContact NH1-OD2 2.62Å; R427-D449 PolarHBondContact NH1-OD2 3.47Å; R427-D449 IonicContact NH2-OD2 3.78Å; R427-D449 PolarHBondContact NH2-OD2 3.02Å
428	V	98.1	Very high	93.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117.3	175.9	-175.1	0	0	0	0	107.7	W380 P410 V416 R417 F419 I426 L444 M446	W380-V428 HydrophobicContact CD2-CG2 3.61Å; W380-V428 HydrophobicContact CE3-CG2 3.85Å; W380-V428 HydrophobicContact CG-CG2 4.01Å; W380-V428 HydrophobicContact CH2-CG1 3.76Å; W380-V428 HydrophobicContact CH2-CG2 4.29Å; W380-V428 HydrophobicContact CZ2-CB 4.4Å; W380-V428 HydrophobicContact CZ2-CG1 3.79Å; W380-V428 HydrophobicContact CZ2-CG2 4.05Å; W380-V428 HydrophobicContact CZ3-CG1 4.23Å; W380-V428 HydrophobicContact CZ3-CG2 4.19Å; P410-V428 HydrophobicContact CG-CG1 4.26Å; P410-V428 WeakPolarHBondContact CG-O 3.34Å; V416-V428 CarbonylContact C-O 3.57Å; V416-V428 WeakPolarHBondContact CA-O 3.44Å; R417-V428 PolarHBondContact N-O 3.35Å; R417-V428 PolarHBondContact O-N 2.93Å; F419-V428 HydrophobicContact CD2-CG2 4.17Å; F419-V428 HydrophobicContact CE2-CB 4.33Å; F419-V428 HydrophobicContact CE2-CG2 3.93Å; I426-V428 HydrophobicContact CG2-CG2 4.18Å; V428-L444 HydrophobicContact CG1-CB 4.17Å; V428-L444 HydrophobicContact CG1-CD1 4.19Å; V428-M446 HydrophobicContact CG2-CG 4.23Å; V428-M446 HydrophobicContact CG2-SD 4.46Å
429	R	98.2	Very high	93.7	Very high	89 Å²	89	58.8 Å²	58.8	34%	0.336	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.9	-177.7	177.6	169.8	52.5	99	1.6	110.6	G415 V416 L444 Y445	G415-R429 CarbonylContact O-C 3.54Å; G415-R429 WeakPolarHBondContact O-CA 3.42Å; V416-R429 HydrophobicContact CG2-CB 4.5Å; R429-L444 CarbonylContact O-C 3.54Å; R429-L444 VanDerWaalsContact O-CA 3.28Å; R429-L444 WeakPolarHBondContact O-CA 3.4Å; R429-Y445 PolarHBondContact N-O 3.06Å; R429-Y445 PolarHBondContact O-N 3.18Å
430	H	98.6	Very high	93.8	Very high	33 Å²	33	58.8 Å²	58.8	15%	0.153	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.9	170.4	178.8	-80.9	0	0	0	109.7	P410 G415	P410-H430 HydrophobicContact CB-CB 4.3Å; P410-H430 HydrophobicContact CG-CB 3.97Å; G415-H430 PolarHBondContact O-N 3.22Å
431	L	98.2	Very high	94.1	Very high	63 Å²	63	54.6 Å²	54.6	33%	0.33	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-56.9	171.8	-59.3	-176	0	0	0	111.1	E443	L431-E443 WeakPolarHBondContact CA-O 3.49Å; L431-E443 HydrophobicContact CB-CB 4.16Å; L431-E443 HydrophobicContact CB-CG 4.24Å; L431-E443 VanDerWaalsContact CB-O 3.3Å; L431-E443 WeakPolarHBondContact CB-O 3.24Å; L431-E443 HydrophobicContact CD1-CG 3.91Å; L431-E443 PolarHBondContact N-O 2.89Å
432	S	98.2	Very high	94.6	Very high	35 Å²	35	54.3 Å²	54.3	25%	0.245	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.7	-177.2	72.9	0	0	0	0	111.6	R442 E443	S432-R442 CarbonylContact O-C 3.58Å; S432-R442 VanDerWaalsContact O-CA 3.29Å; S432-R442 WeakPolarHBondContact O-CA 3.39Å; S432-E443 PolarHBondContact N-O 3.35Å; S432-E443 PolarHBondContact O-N 3.43Å; S432-E443 VanDerWaalsContact OG-CB 3.26Å; S432-E443 WeakPolarHBondContact OG-CB 3.24Å; S432-E443 PolarHBondContact OG-OE2 3.14Å
433	E	98.1	Very high	95.1	Very high	82 Å²	82	50.5 Å²	50.5	38%	0.383	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.3	171	-176.4	176.2	111.2	0	0	109	N435 T440 L441 R442	E433-N435 PolarHBondContact OE1-ND2 3.44Å; E433-T440 HydrophobicContact CG-CG2 3.48Å; E433-T440 VanDerWaalsContact CG-CG2 3.48Å; E433-L441 CarbonylContact C-O 3.52Å; E433-L441 WeakPolarHBondContact CA-O 3.43Å; E433-R442 HydrophobicContact CB-CG 4.22Å; E433-R442 HydrophobicContact CG-CG 3.92Å; E433-R442 IonicContact OE2-CZ 3.21Å; E433-R442 IonicContact OE2-NE 2.74Å; E433-R442 PolarHBondContact OE2-NE 3.06Å; E433-R442 IonicContact OE2-NH2 3.92Å; E433-R442 PolarHBondContact OE2-NH2 3.47Å
434	R	95.9	Very high	95.8	Very high	135 Å²	135	48.6 Å²	48.6	51%	0.509	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.2	174.2	-67.3	-173.4	-68.3	-141.3	-4.3	109.4	L441	R434-L441 PolarHBondContact N-O 3.4Å; R434-L441 PolarHBondContact O-N 3Å
435	N	94.2	Very high	96.3	Very high	108 Å²	108	49 Å²	49	58%	0.578	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.4	178	-70.8	-57.5	0	0	0	109.7	E433 T440	E433-N435 PolarHBondContact OE1-ND2 3.44Å; N435-T440 WeakPolarHBondContact OD1-CB 3.23Å; N435-T440 WeakPolarHBondContact OD1-CG2 2.86Å; N435-T440 PolarHBondContact OD1-OG1 3.46Å
436	S	91	Very high	96.4	Very high	64 Å²	64	47.7 Å²	47.7	45%	0.448	24%	0.235	S	C	.	.			trans	-103.7	175.3	170.5	-61.3	0	0	0	0	109.6	N438 Y439	S436-N438 VanDerWaalsContact C-N 3.29Å; S436-N438 PolarHBondContact O-N 2.96Å; S436-Y439 WeakPolarHBondContact CA-O 3.35Å; S436-Y439 WeakPolarHBondContact CB-O 3.25Å; S436-Y439 PolarHBondContact N-O 3.48Å
437	V	88.4	Confident	96.4	Very high	133 Å²	133	49.5 Å²	49.5	81%	0.806	25%	0.247	S	C	*	.	S	Bend	trans	-59.3	-40	178.9	179.7	0	0	0	0	112.1
438	N	91	Very high	96.2	Very high	43 Å²	43	48.8 Å²	48.8	23%	0.23	24%	0.244	C	C	.	.	S	Bend	trans	-104.2	-24.5	-170.3	-62	-37.8	0	0	0	114	S436 F526 T527 V528 C540	S436-N438 VanDerWaalsContact C-N 3.29Å; S436-N438 PolarHBondContact O-N 2.96Å; N438-F526 HydrophobicContact CB-CE2 3.91Å; N438-T527 PolarHBondContact O-N 2.99Å; N438-V528 HydrophobicContact CB-CG2 3.96Å; N438-C540 HydrophobicContact CB-CB 4.49Å; N438-C540 WeakPolarHBondContact ND2-CB 3.49Å
439	Y	95.4	Very high	95.7	Very high	25 Å²	25	52.1 Å²	52.1	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	157.5	-173.7	68.9	-90	0	0	0	112.2	S436 L441 Y524 H525 F544 D547	S436-Y439 WeakPolarHBondContact CA-O 3.35Å; S436-Y439 WeakPolarHBondContact CB-O 3.25Å; S436-Y439 PolarHBondContact N-O 3.48Å; Y439-L441 HydrophobicContact CD2-CB 4.36Å; Y439-L441 HydrophobicContact CE2-CB 4Å; Y439-Y524 AromaticContact CD2-CD1 3.9Å; Y439-Y524 HydrophobicContact CD2-CD1 3.9Å; Y439-Y524 AromaticContact CE2-CD1 3.6Å; Y439-Y524 HydrophobicContact CE2-CD1 3.6Å; Y439-Y524 AromaticContact CE2-CE1 3.78Å; Y439-Y524 HydrophobicContact CE2-CE1 3.78Å; Y439-H525 CarbonylContact C-O 3.53Å; Y439-H525 WeakPolarHBondContact CA-O 3.27Å; Y439-H525 WeakPolarHBondContact CB-O 3.39Å; Y439-F544 AromaticContact CD1-CD2 3.44Å; Y439-F544 HydrophobicContact CD1-CD2 3.44Å; Y439-F544 VanDerWaalsContact CD1-CD2 3.44Å; Y439-F544 AromaticContact CD1-CE2 3.96Å; Y439-F544 HydrophobicContact CD1-CE2 3.96Å; Y439-F544 HydrophobicContact CD1-CG 4.44Å; Y439-F544 HydrophobicContact CD2-CD2 4.21Å; Y439-F544 AromaticContact CD2-CE2 3.96Å; Y439-F544 HydrophobicContact CD2-CE2 3.96Å; Y439-F544 AromaticContact CE1-CD2 3.84Å; Y439-F544 HydrophobicContact CE1-CD2 3.84Å; Y439-F544 AromaticContact CG-CD2 3.64Å; Y439-F544 HydrophobicContact CG-CD2 3.64Å; Y439-F544 AromaticContact CG-CE2 3.63Å; Y439-F544 HydrophobicContact CG-CE2 3.63Å; Y439-D547 PolarHBondContact OH-OD2 3.35Å
440	T	97.3	Very high	94.3	Very high	15 Å²	15	52.5 Å²	52.5	9%	0.092	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130	167.7	-56.7	0	0	0	0	109.1	E433 N435 R442 H525	E433-T440 HydrophobicContact CG-CG2 3.48Å; E433-T440 VanDerWaalsContact CG-CG2 3.48Å; N435-T440 WeakPolarHBondContact OD1-CB 3.23Å; N435-T440 WeakPolarHBondContact OD1-CG2 2.86Å; N435-T440 PolarHBondContact OD1-OG1 3.46Å; T440-R442 HydrophobicContact CG2-CG 4.32Å; T440-H525 PolarHBondContact N-O 3.39Å; T440-H525 PolarHBondContact O-N 2.62Å
441	L	98.2	Very high	92.3	Very high	11 Å²	11	55 Å²	55	6%	0.058	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.3	171.6	175.6	57.9	0	0	0	109.7	E433 R434 Y439 Y522 H523 Y524	E433-L441 CarbonylContact C-O 3.52Å; E433-L441 WeakPolarHBondContact CA-O 3.43Å; R434-L441 PolarHBondContact N-O 3.4Å; R434-L441 PolarHBondContact O-N 3Å; Y439-L441 HydrophobicContact CD2-CB 4.36Å; Y439-L441 HydrophobicContact CE2-CB 4Å; L441-Y522 HydrophobicContact CD1-CD1 4.46Å; L441-H523 WeakPolarHBondContact CA-O 3.4Å; L441-Y524 HydrophobicContact CD1-CD1 4Å; L441-Y524 HydrophobicContact CD1-CD2 4.03Å; L441-Y524 HydrophobicContact CD1-CE1 3.82Å; L441-Y524 HydrophobicContact CD1-CE2 3.87Å; L441-Y524 HydrophobicContact CD1-CG 4.1Å; L441-Y524 HydrophobicContact CD2-CE1 4.34Å
442	R	98.5	Very high	89.7	Confident	20 Å²	20	58.2 Å²	58.2	8%	0.075	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.5	169.3	-57.8	171	-178.3	85.9	13.1	110.5	W409 S432 E433 T440 L444 Y522 H523 H525	W409-R442 VanDerWaalsContact NE1-NE 3.16Å; S432-R442 CarbonylContact O-C 3.58Å; S432-R442 VanDerWaalsContact O-CA 3.29Å; S432-R442 WeakPolarHBondContact O-CA 3.39Å; E433-R442 HydrophobicContact CB-CG 4.22Å; E433-R442 HydrophobicContact CG-CG 3.92Å; E433-R442 IonicContact OE2-CZ 3.21Å; E433-R442 IonicContact OE2-NE 2.74Å; E433-R442 PolarHBondContact OE2-NE 3.06Å; E433-R442 IonicContact OE2-NH2 3.92Å; E433-R442 PolarHBondContact OE2-NH2 3.47Å; T440-R442 HydrophobicContact CG2-CG 4.32Å; R442-L444 HydrophobicContact CB-CD2 4.29Å; R442-L444 HydrophobicContact CB-CG 4.38Å; R442-Y522 WeakPolarHBondContact O-CA 3.22Å; R442-H523 HydrophobicContact CB-CB 4.16Å; R442-H523 PolarHBondContact N-O 3.01Å; R442-H523 PolarHBondContact NH1-ND1 2.93Å; R442-H523 PolarHBondContact O-N 3.45Å; R442-H525 PolarHBondContact NH1-ND1 2.88Å
443	E	98.6	Very high	86.9	Confident	51 Å²	51	61.1 Å²	61.1	24%	0.238	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.7	166.4	-165.7	-176.4	167.6	0	0	107.9	L431 S432 T520 Y522	L431-E443 WeakPolarHBondContact CA-O 3.49Å; L431-E443 HydrophobicContact CB-CB 4.16Å; L431-E443 HydrophobicContact CB-CG 4.24Å; L431-E443 VanDerWaalsContact CB-O 3.3Å; L431-E443 WeakPolarHBondContact CB-O 3.24Å; L431-E443 HydrophobicContact CD1-CG 3.91Å; L431-E443 PolarHBondContact N-O 2.89Å; S432-E443 PolarHBondContact N-O 3.35Å; S432-E443 PolarHBondContact O-N 3.43Å; S432-E443 VanDerWaalsContact OG-CB 3.26Å; S432-E443 WeakPolarHBondContact OG-CB 3.24Å; S432-E443 PolarHBondContact OG-OE2 3.14Å; E443-T520 HydrophobicContact CG-CG2 3.86Å; E443-Y522 HydrophobicContact CG-CD1 4.4Å; E443-Y522 HydrophobicContact CG-CE1 4.03Å
444	L	98.7	Very high	83.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.6	-177.7	-55.9	175.2	0	0	0	108.7	W380 W409 P410 V428 R429 R442 T520 V521 H523	W380-L444 HydrophobicContact CH2-CD1 3.73Å; W380-L444 HydrophobicContact CZ2-CD1 4.38Å; W409-L444 HydrophobicContact CB-CD1 3.95Å; P410-L444 HydrophobicContact CG-CD2 4.22Å; V428-L444 HydrophobicContact CG1-CB 4.17Å; V428-L444 HydrophobicContact CG1-CD1 4.19Å; R429-L444 CarbonylContact O-C 3.54Å; R429-L444 VanDerWaalsContact O-CA 3.28Å; R429-L444 WeakPolarHBondContact O-CA 3.4Å; R442-L444 HydrophobicContact CB-CD2 4.29Å; R442-L444 HydrophobicContact CB-CG 4.38Å; L444-T520 CarbonylContact O-C 3.54Å; L444-T520 WeakPolarHBondContact O-CA 3.29Å; L444-V521 HydrophobicContact CB-CB 4.4Å; L444-V521 PolarHBondContact N-O 2.98Å; L444-V521 PolarHBondContact O-N 3.23Å; L444-H523 HydrophobicContact CD1-CB 4.14Å
445	Y	98.4	Very high	80.9	Confident	28 Å²	28	65.6 Å²	65.6	11%	0.11	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.9	173.1	-170.4	-101.9	0	0	0	109.9	R429 T447	R429-Y445 PolarHBondContact N-O 3.06Å; R429-Y445 PolarHBondContact O-N 3.18Å; Y445-T447 HydrophobicContact CD1-CG2 3.76Å; Y445-T447 HydrophobicContact CE1-CG2 3.26Å
446	M	97.2	Very high	77.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.5	-179.9	-171.9	171.4	47.4	0	0	110.3	W380 I383 W384 I426 R427 V428 G518 L519 V521	W380-M446 HydrophobicContact CE3-SD 3.8Å; W380-M446 HydrophobicContact CZ3-SD 4.47Å; I383-M446 HydrophobicContact CB-CE 4.12Å; I383-M446 HydrophobicContact CG2-CE 3.69Å; W384-M446 HydrophobicContact CB-CE 3.78Å; W384-M446 HydrophobicContact CB-SD 4.12Å; W384-M446 HydrophobicContact CD2-CE 4.44Å; W384-M446 HydrophobicContact CE3-CE 3.74Å; W384-M446 HydrophobicContact CE3-CG 3.85Å; W384-M446 HydrophobicContact CE3-SD 4.07Å; W384-M446 HydrophobicContact CZ3-CG 4.3Å; I426-M446 HydrophobicContact CG2-CG 3.68Å; I426-M446 HydrophobicContact CG2-SD 3.67Å; R427-M446 CarbonylContact O-C 3.57Å; R427-M446 VanDerWaalsContact O-CA 3.27Å; R427-M446 WeakPolarHBondContact O-CA 3.39Å; V428-M446 HydrophobicContact CG2-CG 4.23Å; V428-M446 HydrophobicContact CG2-SD 4.46Å; M446-G518 CarbonylContact O-C 3.52Å; M446-G518 WeakPolarHBondContact O-CA 3.32Å; M446-L519 HydrophobicContact CE-CB 4.28Å; M446-L519 HydrophobicContact CE-CD2 3.7Å; M446-L519 HydrophobicContact CE-CG 4.47Å; M446-L519 PolarHBondContact N-O 3.17Å; M446-L519 PolarHBondContact O-N 2.9Å; M446-V521 HydrophobicContact CE-CG2 4.25Å
447	T	96.2	Very high	75.1	Confident	40 Å²	40	69.4 Å²	69.4	25%	0.245	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	159	169.4	57.1	0	0	0	0	110.4	I426 R427 Y445	I426-T447 WeakPolarHBondContact CA-O 3.41Å; R427-T447 PolarHBondContact N-O 2.78Å; R427-T447 PolarHBondContact O-N 3Å; Y445-T447 HydrophobicContact CD1-CG2 3.76Å; Y445-T447 HydrophobicContact CE1-CG2 3.26Å
448	R	91.6	Very high	72.3	Confident	50 Å²	50	72 Å²	72	19%	0.189	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.4	173.8	-175.2	-179.8	179.1	152.1	6.7	109.4	D286 W384 N421 T425 I426	D286-R448 IonicContact OD2-CZ 3.01Å; D286-R448 IonicContact OD2-NH1 3.74Å; D286-R448 PolarHBondContact OD2-NH1 2.8Å; D286-R448 IonicContact OD2-NH2 3.53Å; D286-R448 PolarHBondContact OD2-NH2 3.35Å; W384-R448 HydrophobicContact CD2-CB 3.95Å; W384-R448 HydrophobicContact CE3-CB 4.06Å; W384-R448 HydrophobicContact CH2-CB 3.76Å; W384-R448 HydrophobicContact CZ2-CB 3.59Å; W384-R448 HydrophobicContact CZ3-CB 3.99Å; N421-R448 PolarHBondContact ND2-NH2 3.34Å; T425-R448 WeakPolarHBondContact O-CA 3.42Å; I426-R448 HydrophobicContact CG1-CB 4.39Å; I426-R448 HydrophobicContact CG1-CG 4.15Å
449	D	87.5	Confident	69.5	Low	69 Å²	69	78 Å²	78	37%	0.369	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-73.1	132.9	171.6	-63.8	-17.8	0	0	0	109.8	T425 R427	T425-D449 PolarHBondContact O-N 3.49Å; R427-D449 IonicContact CZ-OD1 3.58Å; R427-D449 IonicContact CZ-OD2 3.96Å; R427-D449 IonicContact NH1-OD1 3.59Å; R427-D449 PolarHBondContact NH1-OD1 3.48Å; R427-D449 IonicContact NH1-OD2 2.62Å; R427-D449 PolarHBondContact NH1-OD2 3.47Å; R427-D449 IonicContact NH2-OD2 3.78Å; R427-D449 PolarHBondContact NH2-OD2 3.02Å
450	S	68.8	Low	66.4	Low	98 Å²	98	85.5 Å²	85.5	69%	0.685	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-74.1	135.9	168.5	-55.4	0	0	0	0	109.2	V452	S450-V452 PolarHBondContact O-N 3.1Å; S450-V452 VanDerWaalsContact O-N 3.14Å
451	S	56.5	Low	62.9	Low	85 Å²	85	94.4 Å²	94.4	59%	0.594	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-53.3	123.7	167.2	46.3	0	0	0	0	108.7	G423 S453	G423-S451 WeakPolarHBondContact O-CB 3.3Å; G423-S451 PolarHBondContact O-N 3.06Å; S451-S453 PolarHBondContact O-N 3.2Å
452	V	44.5	Very low	59.8	Low	131 Å²	131	99.5 Å²	99.5	79%	0.794	53%	0.534	S	S	*	.			trans	-56.5	109.2	171.4	177.3	0	0	0	0	105.9	S450 T454	S450-V452 PolarHBondContact O-N 3.1Å; S450-V452 VanDerWaalsContact O-N 3.14Å; V452-T454 PolarHBondContact O-N 3.11Å
453	S	39.7	Very low	56.6	Low	95 Å²	95	107.5 Å²	107.5	66%	0.664	57%	0.572	S	S	*	*			trans	-47.5	111.4	167.4	49.9	0	0	0	0	106.7	S451 K455	S451-S453 PolarHBondContact O-N 3.2Å; S453-K455 VanDerWaalsContact C-N 3.31Å; S453-K455 PolarHBondContact O-N 3.13Å
454	T	34.1	Very low	53	Low	133 Å²	133	113 Å²	113	82%	0.816	60%	0.602	S	S	*	*			trans	-53.7	101.9	177.1	-23.9	0	0	0	0	106	V452 N456	V452-T454 PolarHBondContact O-N 3.11Å; T454-N456 PolarHBondContact O-N 3.29Å
455	K	32.7	Very low	49.9	Very low	178 Å²	178	118.9 Å²	118.9	77%	0.774	64%	0.641	S	S	*	*			trans	-56.1	127.6	175.2	-78.4	-177.8	175.2	179.5	0	105.6	S453 S457	S453-K455 VanDerWaalsContact C-N 3.31Å; S453-K455 PolarHBondContact O-N 3.13Å; K455-S457 VanDerWaalsContact C-N 3.26Å; K455-S457 PolarHBondContact O-N 3.44Å
456	N	31.5	Very low	46.6	Very low	161 Å²	161	126.1 Å²	126.1	86%	0.861	68%	0.675	S	S	*	*			trans	-45.1	91	173.2	-67.4	-22.3	0	0	0	109.8	T454 E458	T454-N456 PolarHBondContact O-N 3.29Å; N456-E458 VanDerWaalsContact C-N 3.35Å; N456-E458 PolarHBondContact O-N 3.48Å
457	S	31.6	Very low	43.2	Very low	91 Å²	91	130.9 Å²	130.9	64%	0.636	71%	0.709	S	S	*	*			trans	-80.4	97.6	162.1	-74.4	0	0	0	0	104.9	K455 H459	K455-S457 VanDerWaalsContact C-N 3.26Å; K455-S457 PolarHBondContact O-N 3.44Å; S457-H459 PolarHBondContact O-N 3.39Å
458	E	30.8	Very low	40	Very low	189 Å²	189	135.4 Å²	135.4	88%	0.883	74%	0.736	S	S	*	*			trans	-50.1	85.4	163.9	-68.5	175.4	150.8	0	0	109.1	N456 Q460	N456-E458 VanDerWaalsContact C-N 3.35Å; N456-E458 PolarHBondContact O-N 3.48Å; E458-Q460 PolarHBondContact O-N 2.99Å
459	H	32.3	Very low	36.8	Very low	169 Å²	169	139.4 Å²	139.4	78%	0.782	77%	0.766	S	S	*	*			trans	-91.5	92.8	168.2	-85.4	-61.6	0	0	0	108.6	S457 F461	S457-H459 PolarHBondContact O-N 3.39Å; H459-F461 PolarHBondContact O-N 2.81Å
460	Q	30	Very low	33.9	Very low	182 Å²	182	140.7 Å²	140.7	85%	0.85	78%	0.78	S	S	*	*			trans	-38.4	120.3	163.4	-161.5	158.6	10.2	0	0	111.6	E458 P462	E458-Q460 PolarHBondContact O-N 2.99Å; Q460-P462 WeakPolarHBondContact O-CD 3.36Å
461	F	24.7	Very low	31.8	Very low	201 Å²	201	142.9 Å²	142.9	88%	0.882	79%	0.79	S	S	*	*			trans	-56.4	129.5	176.7	-75.9	-96.6	0	0	0	112.6	H459	H459-F461 PolarHBondContact O-N 2.81Å
462	P	32.3	Very low	30.5	Very low	119 Å²	119	144.4 Å²	144.4	77%	0.773	80%	0.801	S	S	*	*			trans	-108.7	139.2	149.1	15.2	5.7	0	0	0	110.4	Q460	Q460-P462 WeakPolarHBondContact O-CD 3.36Å
463	H	30.3	Very low	29.4	Very low	187 Å²	187	144.3 Å²	144.3	87%	0.866	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-49.9	143.7	-170.8	-78.1	-102.5	0	0	0	116.8
464	L	24.7	Very low	28.6	Very low	167 Å²	167	145.2 Å²	145.2	87%	0.874	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-62.3	140.5	169.4	-72.5	110	0	0	0	112.9
465	P	31.7	Very low	28.2	Very low	124 Å²	124	144.1 Å²	144.1	81%	0.805	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-94.9	131.9	146.3	20.8	-4.5	0	0	0	110.4
466	E	30.6	Very low	27.7	Very low	180 Å²	180	141.1 Å²	141.1	84%	0.841	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-66.5	139.6	-177.7	-70.9	173	143.4	0	0	113.8
467	S	25.9	Very low	27.8	Very low	100 Å²	100	139.5 Å²	139.5	70%	0.699	80%	0.803	S	S	*	*			trans	39.4	106.9	143.7	66.3	0	0	0	0	119.3
468	V	29.1	Very low	27.5	Very low	134 Å²	134	141.6 Å²	141.6	81%	0.812	81%	0.812	S	S	*	*			trans	-123.3	95.9	142	-168.7	0	0	0	0	107.8	S470	V468-S470 PolarHBondContact O-N 3.03Å
469	T	23.2	Very low	27.2	Very low	135 Å²	135	139.5 Å²	139.5	83%	0.828	81%	0.806	S	S	*	*			trans	-67.8	117.8	163.9	35.5	0	0	0	0	109
470	S	27.5	Very low	26.9	Very low	95 Å²	95	136.9 Å²	136.9	66%	0.664	81%	0.806	S	S	*	*			trans	-142.7	94.2	159.7	-18.2	0	0	0	0	109.1	V468 S472	V468-S470 PolarHBondContact O-N 3.03Å; S470-S472 PolarHBondContact O-N 2.76Å
471	T	23.4	Very low	26.7	Very low	144 Å²	144	135.2 Å²	135.2	88%	0.883	80%	0.803	S	S	*	*			trans	-52.8	121.2	161.4	44.4	0	0	0	0	110.2
472	S	29.3	Very low	26.9	Very low	118 Å²	118	131.9 Å²	131.9	83%	0.825	80%	0.8	S	S	*	*			trans	-137.8	100.7	157.1	52	0	0	0	0	109.5	S470	S470-S472 PolarHBondContact O-N 2.76Å
473	T	22.5	Very low	26.9	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	80%	0.801	S	S	*	*			trans	-67.7	134.8	159.2	38.9	0	0	0	0	108.8
474	C	22.9	Very low	26.7	Very low	114 Å²	114	133.2 Å²	133.2	77%	0.77	80%	0.804	S	S	*	*				162.8	119.2	127	-82.9	0	0	0	0	112.5
475	S	25.8	Very low	26.9	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	80%	0.797	S	S	*	*				69.4	101.7	126	-49.4	0	0	0	0	119.8
476	S	22.8	Very low	26.6	Very low	115 Å²	115	135 Å²	135	80%	0.804	80%	0.801	S	S	*	*			trans	-24.3	128.4	154.3	-46.4	0	0	0	0	116.2
477	P	31.8	Very low	26.5	Very low	128 Å²	128	136.3 Å²	136.3	83%	0.831	80%	0.804	S	S	*	*			trans	-83.6	128.3	164.2	-0.5	18.7	0	0	0	110.7
478	T	25.5	Very low	26.6	Very low	135 Å²	135	139.7 Å²	139.7	83%	0.828	81%	0.809	S	S	*	*			trans	-64.8	137.5	176.5	-49.5	0	0	0	0	112
479	I	24.8	Very low	26.4	Very low	145 Å²	145	139.8 Å²	139.8	74%	0.744	81%	0.813	S	S	*	*			trans	-43.4	126.6	172.5	-64.3	159.3	0	0	0	111.4
480	S	27.2	Very low	26.5	Very low	113 Å²	113	142 Å²	142	79%	0.79	81%	0.811	S	S	*	*			trans	-108.2	111.4	162.4	49.3	0	0	0	0	108.7	T482	S480-T482 PolarHBondContact O-N 2.68Å
481	D	25.7	Very low	26.4	Very low	147 Å²	147	142.8 Å²	142.8	79%	0.786	82%	0.817	S	S	*	*			trans	-64.5	121.1	173.8	-70.3	-51.7	0	0	0	110.5
482	T	28.4	Very low	26.5	Very low	132 Å²	132	143.3 Å²	143.3	81%	0.81	81%	0.813	S	S	*	*			trans	-138.6	139.2	153	43.6	0	0	0	0	110.3	S480	S480-T482 PolarHBondContact O-N 2.68Å
483	P	32.6	Very low	26.2	Very low	125 Å²	125	144.9 Å²	144.9	81%	0.812	81%	0.812	S	S	*	*			trans	-86.8	127.9	-161	3.6	16.4	0	0	0	110.6	D485	P483-D485 PolarHBondContact O-N 2.7Å
484	F	26.4	Very low	26.4	Very low	209 Å²	209	145.3 Å²	145.3	92%	0.917	82%	0.815	S	S	*	*			trans	-78.4	111.3	179.7	-162.8	-99.2	0	0	0	110.8
485	D	28.5	Very low	26.5	Very low	138 Å²	138	149.2 Å²	149.2	74%	0.738	82%	0.819	S	S	*	*			trans	-60.4	136.1	-179.9	-99.3	-38.6	0	0	0	113.8	P483 K487	P483-D485 PolarHBondContact O-N 2.7Å; D485-K487 PolarHBondContact O-N 3.42Å
486	Q	25.4	Very low	26.4	Very low	191 Å²	191	151.4 Å²	151.4	89%	0.893	82%	0.821	S	S	*	*			trans	-61.7	94	174.3	-106.2	172	9.5	0	0	111.6	H488	Q486-H488 PolarHBondContact O-N 2.92Å
487	K	28.1	Very low	26.6	Very low	206 Å²	206	154.1 Å²	154.1	90%	0.896	82%	0.821	S	S	*	*			trans	-83.1	104.1	167	-80.7	-174.9	178.9	175.2	0	111.4	D485 C489	D485-K487 PolarHBondContact O-N 3.42Å; K487-C489 PolarHBondContact O-N 2.84Å
488	H	27.5	Very low	26.1	Very low	172 Å²	172	156.6 Å²	156.6	80%	0.796	82%	0.821	S	S	*	*			trans	-30.9	120.3	161.1	-107.2	54.7	0	0	0	113.9	Q486 K490	Q486-H488 PolarHBondContact O-N 2.92Å; H488-K490 PolarHBondContact O-N 2.99Å
489	C	24.4	Very low	26.1	Very low	135 Å²	135	156.3 Å²	156.3	91%	0.912	82%	0.82	S	S	*	*			trans	-74.3	102	169.9	-146	0	0	0	0	108.6	K487	K487-C489 PolarHBondContact O-N 2.84Å
490	K	26	Very low	26.2	Very low	181 Å²	181	157 Å²	157	79%	0.787	82%	0.824	S	S	*	*			trans	-82.9	117.7	175	-77	-175.2	177.3	179.3	0	109.8	H488 I492	H488-K490 PolarHBondContact O-N 2.99Å; K490-I492 PolarHBondContact O-N 2.88Å
491	S	24.6	Very low	25.9	Very low	113 Å²	113	157.6 Å²	157.6	79%	0.79	82%	0.824	S	S	*	*			trans	-55.8	120.5	170.4	-161.1	0	0	0	0	110.7	N493	S491-N493 PolarHBondContact O-N 3.2Å
492	I	26.5	Very low	26	Very low	154 Å²	154	156.9 Å²	156.9	79%	0.79	83%	0.825	S	S	*	*			trans	-86	108.8	175.1	-65.1	171.7	0	0	0	107.4	K490 T494	K490-I492 PolarHBondContact O-N 2.88Å; I492-T494 PolarHBondContact O-N 3.21Å
493	N	23.4	Very low	25.9	Very low	151 Å²	151	157 Å²	157	81%	0.807	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-71.4	117.1	168.6	-87.8	-24.3	0	0	0	109.5	S491 K495	S491-N493 PolarHBondContact O-N 3.2Å; N493-K495 PolarHBondContact O-N 3.14Å
494	T	26.2	Very low	25.5	Very low	137 Å²	137	155.8 Å²	155.8	84%	0.84	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-68.3	117.6	171.4	35.6	0	0	0	0	110.4	I492	I492-T494 PolarHBondContact O-N 3.21Å
495	K	24.4	Very low	25.6	Very low	196 Å²	196	151 Å²	151	85%	0.852	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-87.5	118	164	-89.8	-175.4	176	-178.8	0	108.8	N493 H497	N493-K495 PolarHBondContact O-N 3.14Å; K495-H497 PolarHBondContact O-N 2.94Å
496	L	23.3	Very low	25.5	Very low	156 Å²	156	152.6 Å²	152.6	82%	0.817	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-53	122.5	169.8	-151.7	76.9	0	0	0	109.8
497	H	27.2	Very low	25.6	Very low	172 Å²	172	152.4 Å²	152.4	80%	0.796	82%	0.819	S	S	*	*			trans	-123.6	113.7	159.6	-94.3	43.5	0	0	0	107.3	K495	K495-H497 PolarHBondContact O-N 2.94Å
498	Q	21.4	Very low	25.5	Very low	181 Å²	181	147.9 Å²	147.9	85%	0.846	81%	0.813	S	S	*	*			trans	-67.9	123.9	166.7	-78	166.9	-30.3	0	0	108
499	T	26.4	Very low	25.6	Very low	129 Å²	129	146.2 Å²	146.2	79%	0.791	82%	0.815	S	S	*	*			trans	-137.4	132.2	158.8	47.9	0	0	0	0	109
500	D	25.8	Very low	26.1	Very low	158 Å²	158	145 Å²	145	85%	0.845	81%	0.808	S	S	*	*			trans	-62.2	145.3	-162.3	-69.7	-57	0	0	0	115.3	T502	D500-T502 PolarHBondContact O-N 3.04Å
501	T	22.8	Very low	26.3	Very low	126 Å²	126	148.2 Å²	148.2	77%	0.773	82%	0.815	S	S	*	*			trans	-73.2	113.7	177.8	-47.9	0	0	0	0	110.4	V503	T501-V503 HydrophobicContact CG2-CG2 3.81Å
502	T	26.6	Very low	26.7	Very low	133 Å²	133	151.7 Å²	151.7	82%	0.816	82%	0.819	S	S	*	*			trans	-107.2	100.9	158.6	52.5	0	0	0	0	108.8	D500 S504	D500-T502 PolarHBondContact O-N 3.04Å; T502-S504 PolarHBondContact O-N 3.19Å
503	V	25.6	Very low	27.2	Very low	135 Å²	135	148.9 Å²	148.9	82%	0.818	81%	0.809	S	S	*	*			trans	-70.1	110.4	171.6	175.6	0	0	0	0	108.4	T501	T501-V503 HydrophobicContact CG2-CG2 3.81Å
504	S	25.8	Very low	27.6	Very low	99 Å²	99	149.5 Å²	149.5	69%	0.692	81%	0.813	S	S	*	*			trans	-145	112.4	160.8	60.4	0	0	0	0	111	T502	T502-S504 PolarHBondContact O-N 3.19Å
505	S	27.8	Very low	28.2	Very low	109 Å²	109	147.1 Å²	147.1	76%	0.762	80%	0.801	S	S	*	*			trans	62	82.5	153.3	57.1	0	0	0	0	118.4
506	L	26.3	Very low	29.6	Very low	170 Å²	170	141.8 Å²	141.8	89%	0.89	80%	0.802	S	S	*	*			trans	-86.3	89.4	151.8	-104.7	97.1	0	0	0	108.8
507	E	26.9	Very low	32.3	Very low	187 Å²	187	139.4 Å²	139.4	87%	0.874	79%	0.79	S	S	*	*			trans	-141.3	66.1	167	-78.1	-168.2	164.5	0	0	110.2
508	S	27.1	Very low	35.4	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	77%	0.766	S	S	*	*			trans	-170.4	61.9	163.5	59.1	0	0	0	0	112.5
509	T	29.6	Very low	38.9	Very low	137 Å²	137	125.6 Å²	125.6	84%	0.84	74%	0.735	S	S	*	*			trans	-137.6	48.9	168.3	53.3	0	0	0	0	111.7
510	S	33.7	Very low	42.4	Very low	110 Å²	110	121.6 Å²	121.6	77%	0.769	71%	0.71	S	S	*	*	S	Bend	trans	-143.2	52	172	68.6	0	0	0	0	111.7
511	R	31.4	Very low	45.8	Very low	248 Å²	248	114.1 Å²	114.1	94%	0.936	67%	0.67	S	S	*	*	S	Bend	trans	-163.4	56.1	172.6	-112.9	170.2	-161.1	-171.2	5.4	113.3
512	E	32.1	Very low	49.4	Very low	186 Å²	186	109.7 Å²	109.7	87%	0.869	64%	0.639	S	S	*	*			trans	-156.5	30.1	166.1	-118.9	173.5	-141	0	0	114.6
513	V	38.2	Very low	52.9	Low	96 Å²	96	103.3 Å²	103.3	58%	0.582	60%	0.6	S	S	*	*			trans	-104.8	68.3	167.5	-171.1	0	0	0	0	108.2
514	N	30.3	Very low	56.3	Low	164 Å²	164	97.2 Å²	97.2	88%	0.877	56%	0.563	S	S	*	*			trans	-148.3	14.6	172.9	-107.2	-3.4	0	0	0	115.1
515	S	39.3	Very low	59.8	Low	87 Å²	87	93.1 Å²	93.1	61%	0.608	53%	0.532	S	S	*	.	S	Bend	trans	-97.3	118.8	164.5	-55.5	0	0	0	0	107.8	N517	S515-N517 PolarHBondContact O-N 3.19Å
516	G	54.7	Low	63	Low	83 Å²	83	88 Å²	88	86%	0.856	50%	0.496	S	S	*	.	S	Bend	trans	-63.5	26.4	-179.4	0	0	0	0	0	116.2
517	N	79.3	Confident	66	Low	107 Å²	107	81.7 Å²	81.7	57%	0.572	47%	0.465	S	S	*	.			trans	-104.6	25.2	-176.6	-69.7	4	0	0	0	112.6	W384 S515	W384-N517 WeakPolarHBondContact CH2-O 3.48Å; S515-N517 PolarHBondContact O-N 3.19Å
518	G	92.4	Very high	68.9	Low	29 Å²	29	75.7 Å²	75.7	30%	0.299	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.9	-179.6	0	0	0	0	0	113.3	M446	M446-G518 CarbonylContact O-C 3.52Å; M446-G518 WeakPolarHBondContact O-CA 3.32Å
519	L	95.7	Very high	72	Confident	34 Å²	34	70.7 Å²	70.7	18%	0.178	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.5	175.6	-179.8	65.7	0	0	0	108.9	A389 M446 V521	A389-L519 HydrophobicContact CB-CD1 4.49Å; M446-L519 HydrophobicContact CE-CB 4.28Å; M446-L519 HydrophobicContact CE-CD2 3.7Å; M446-L519 HydrophobicContact CE-CG 4.47Å; M446-L519 PolarHBondContact N-O 3.17Å; M446-L519 PolarHBondContact O-N 2.9Å; L519-V521 HydrophobicContact CD2-CG2 4Å; L519-V521 HydrophobicContact CG-CG2 3.96Å
520	T	98.1	Very high	74.5	Confident	45 Å²	45	66.4 Å²	66.4	28%	0.276	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.8	168.9	-57.4	0	0	0	0	108.8	E443 L444 Y522	E443-T520 HydrophobicContact CG-CG2 3.86Å; L444-T520 CarbonylContact O-C 3.54Å; L444-T520 WeakPolarHBondContact O-CA 3.29Å; T520-Y522 HydrophobicContact CG2-CE2 3.95Å
521	V	98.6	Very high	76.1	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125	-176.4	-177.6	0	0	0	0	109.5	I383 A389 I391 L444 M446 L519	I383-V521 HydrophobicContact CG2-CG1 4.38Å; I383-V521 HydrophobicContact CG2-CG2 4Å; A389-V521 CarbonylContact O-C 3.58Å; A389-V521 WeakPolarHBondContact O-CA 3.5Å; I391-V521 HydrophobicContact CD1-CG1 3.59Å; I391-V521 HydrophobicContact CG1-CG1 3.81Å; L444-V521 HydrophobicContact CB-CB 4.4Å; L444-V521 PolarHBondContact N-O 2.98Å; L444-V521 PolarHBondContact O-N 3.23Å; M446-V521 HydrophobicContact CE-CG2 4.25Å; L519-V521 HydrophobicContact CD2-CG2 4Å; L519-V521 HydrophobicContact CG-CG2 3.96Å
522	Y	98.7	Very high	78.1	Confident	33 Å²	33	56.8 Å²	56.8	13%	0.129	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.7	175.5	-63.2	-89.8	0	0	0	109.5	A389 V390 I391 L441 R442 E443 T520 R551 I555	A389-Y522 PolarHBondContact O-N 2.93Å; V390-Y522 WeakPolarHBondContact CA-O 3.34Å; I391-Y522 PolarHBondContact N-O 2.75Å; L441-Y522 HydrophobicContact CD1-CD1 4.46Å; R442-Y522 WeakPolarHBondContact O-CA 3.22Å; E443-Y522 HydrophobicContact CG-CD1 4.4Å; E443-Y522 HydrophobicContact CG-CE1 4.03Å; T520-Y522 HydrophobicContact CG2-CE2 3.95Å; Y522-R551 HydrophobicContact CD1-CG 4.44Å; Y522-R551 HydrophobicContact CD2-CG 4.06Å; Y522-R551 HydrophobicContact CG-CG 3.97Å; Y522-R551 PolarHBondContact OH-NH1 2.82Å; Y522-I555 HydrophobicContact CD2-CD1 3.71Å; Y522-I555 HydrophobicContact CE2-CD1 3.65Å; Y522-I555 HydrophobicContact CE2-CG1 4.48Å
523	H	98.6	Very high	80.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	106.7	-179.2	177.7	-101.8	0	0	0	110.2	Y408 W409 L441 R442 L444	Y408-H523 AromaticContact CE2-NE2 3.97Å; Y408-H523 AromaticContact CZ-NE2 3.56Å; Y408-H523 PolarHBondContact OH-CD2 2.97Å; Y408-H523 VanDerWaalsContact OH-CD2 3.29Å; Y408-H523 PolarHBondContact OH-NE2 3.08Å; W409-H523 AromaticContact CE3-CE1 3.86Å; W409-H523 AromaticContact CE3-NE2 3.93Å; W409-H523 AromaticContact CZ3-CE1 3.88Å; W409-H523 AromaticContact CZ3-NE2 3.99Å; L441-H523 WeakPolarHBondContact CA-O 3.4Å; R442-H523 HydrophobicContact CB-CB 4.16Å; R442-H523 PolarHBondContact N-O 3.01Å; R442-H523 PolarHBondContact NH1-ND1 2.93Å; R442-H523 PolarHBondContact O-N 3.45Å; L444-H523 HydrophobicContact CD1-CB 4.14Å
524	Y	98.6	Very high	83.1	Confident	7 Å²	7	46.3 Å²	46.3	3%	0.027	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	106.6	176.6	-75.5	-89.9	0	0	0	110.2	V390 I391 M393 Y439 L441 F544 D547 I548 R551	V390-Y524 HydrophobicContact CG1-CD2 3.91Å; V390-Y524 HydrophobicContact CG1-CE2 4.1Å; I391-Y524 PolarHBondContact O-N 2.9Å; M393-Y524 PolarHBondContact N-O 2.82Å; Y439-Y524 AromaticContact CD2-CD1 3.9Å; Y439-Y524 HydrophobicContact CD2-CD1 3.9Å; Y439-Y524 AromaticContact CE2-CD1 3.6Å; Y439-Y524 HydrophobicContact CE2-CD1 3.6Å; Y439-Y524 AromaticContact CE2-CE1 3.78Å; Y439-Y524 HydrophobicContact CE2-CE1 3.78Å; L441-Y524 HydrophobicContact CD1-CD1 4Å; L441-Y524 HydrophobicContact CD1-CD2 4.03Å; L441-Y524 HydrophobicContact CD1-CE1 3.82Å; L441-Y524 HydrophobicContact CD1-CE2 3.87Å; L441-Y524 HydrophobicContact CD1-CG 4.1Å; L441-Y524 HydrophobicContact CD2-CE1 4.34Å; Y524-F544 HydrophobicContact CD1-CD2 4.39Å; Y524-F544 AromaticContact CD1-CE2 3.79Å; Y524-F544 HydrophobicContact CD1-CE2 3.79Å; Y524-F544 HydrophobicContact CG-CE2 4.16Å; Y524-D547 HydrophobicContact CE1-CB 4.34Å; Y524-D547 PolarHBondContact OH-O 3.3Å; Y524-I548 HydrophobicContact CD1-CG1 3.95Å; Y524-I548 HydrophobicContact CD2-CG1 3.96Å; Y524-I548 HydrophobicContact CE1-CG1 4.21Å; Y524-I548 HydrophobicContact CE2-CG1 4.18Å; Y524-I548 HydrophobicContact CG-CD1 4.35Å; Y524-I548 HydrophobicContact CG-CG1 3.82Å; Y524-R551 HydrophobicContact CE2-CB 4.24Å; Y524-R551 HydrophobicContact CE2-CG 4.11Å; Y524-R551 VanDerWaalsContact OH-CB 3.26Å; Y524-R551 WeakPolarHBondContact OH-CB 3.31Å
525	H	98	Very high	86	Confident	12 Å²	12	39 Å²	39	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	94.6	-178.3	-172.5	-177.3	0	0	0	111.2	M393 T395 Y439 T440 R442 T527	M393-H525 CarbonylContact O-C 3.59Å; M393-H525 WeakPolarHBondContact O-CA 3.42Å; T395-H525 PolarHBondContact O-CD2 3.31Å; T395-H525 PolarHBondContact O-NE2 3.41Å; Y439-H525 CarbonylContact C-O 3.53Å; Y439-H525 WeakPolarHBondContact CA-O 3.27Å; Y439-H525 WeakPolarHBondContact CB-O 3.39Å; T440-H525 PolarHBondContact N-O 3.39Å; T440-H525 PolarHBondContact O-N 2.62Å; R442-H525 PolarHBondContact NH1-ND1 2.88Å; H525-T527 PolarHBondContact O-N 3.12Å
526	F	95.9	Very high	88.3	Confident	1 Å²	1	41 Å²	41	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.5	177.7	-164.3	-99.1	0	0	0	111.5	M393 I394 N438 V528 W529 V541 F544	M393-F526 PolarHBondContact O-N 3.34Å; I394-F526 HydrophobicContact CG2-CB 4.27Å; I394-F526 HydrophobicContact CG2-CD1 3.9Å; I394-F526 HydrophobicContact CG2-CG 4.45Å; N438-F526 HydrophobicContact CB-CE2 3.91Å; F526-V528 HydrophobicContact CD1-CG2 4.26Å; F526-V528 HydrophobicContact CE1-CG2 3.52Å; F526-V528 HydrophobicContact CE2-CG2 3.83Å; F526-V528 HydrophobicContact CZ-CG2 3.27Å; F526-W529 HydrophobicContact CD1-CB 3.93Å; F526-W529 HydrophobicContact CD1-CE3 4.33Å; F526-W529 HydrophobicContact CE1-CB 3.85Å; F526-W529 HydrophobicContact CE1-CE3 4.03Å; F526-V541 HydrophobicContact CE1-CG2 4.37Å; F526-V541 HydrophobicContact CZ-CG2 4.01Å; F526-F544 HydrophobicContact CB-CD1 4.37Å; F526-F544 HydrophobicContact CB-CE1 3.76Å; F526-F544 HydrophobicContact CB-CE2 4.21Å; F526-F544 HydrophobicContact CB-CZ 3.65Å; F526-F544 HydrophobicContact CD2-CB 4.13Å; F526-F544 AromaticContact CD2-CD1 3.64Å; F526-F544 HydrophobicContact CD2-CD1 3.64Å; F526-F544 AromaticContact CD2-CD2 3.87Å; F526-F544 HydrophobicContact CD2-CD2 3.87Å; F526-F544 AromaticContact CD2-CE1 3.9Å; F526-F544 HydrophobicContact CD2-CE1 3.9Å; F526-F544 HydrophobicContact CD2-CE2 4.07Å; F526-F544 AromaticContact CD2-CG 3.62Å; F526-F544 HydrophobicContact CD2-CG 3.62Å; F526-F544 HydrophobicContact CD2-CZ 4.09Å; F526-F544 HydrophobicContact CE2-CB 4.01Å; F526-F544 HydrophobicContact CE2-CD1 4.18Å; F526-F544 HydrophobicContact CE2-CG 4.02Å; F526-F544 HydrophobicContact CG-CD1 4.18Å; F526-F544 HydrophobicContact CG-CE1 4.06Å; F526-F544 HydrophobicContact CG-CZ 4.28Å
527	T	87.8	Confident	89.9	Confident	39 Å²	39	40.7 Å²	40.7	24%	0.239	24%	0.243	C	C	.	.			trans	-109.5	-7	-169.8	50.8	0	0	0	0	114.4	K396 N438 H525	K396-T527 WeakPolarHBondContact CE-O 3.42Å; K396-T527 HydrophobicContact CG-CG2 4.47Å; N438-T527 PolarHBondContact O-N 2.99Å; H525-T527 PolarHBondContact O-N 3.12Å
528	V	89	Confident	90.6	Very high	60 Å²	60	36.2 Å²	36.2	36%	0.364	22%	0.22	S	C	.	.			trans	-95.6	-3.8	-174	-60.5	0	0	0	0	114.5	N438 F526 P530	N438-V528 HydrophobicContact CB-CG2 3.96Å; F526-V528 HydrophobicContact CD1-CG2 4.26Å; F526-V528 HydrophobicContact CE1-CG2 3.52Å; F526-V528 HydrophobicContact CE2-CG2 3.83Å; F526-V528 HydrophobicContact CZ-CG2 3.27Å; V528-P530 WeakPolarHBondContact O-CD 3.39Å
529	W	90.8	Very high	90.6	Very high	6 Å²	6	36.2 Å²	36.2	2%	0.023	22%	0.215	C	C	.	.	S	Bend	trans	-73.2	118.9	173.9	-154.9	-53	0	0	0	110.8	I394 F526 G533 T534 P535 V541 R571 A574 F619	I394-W529 HydrophobicContact CG2-CB 4.26Å; I394-W529 HydrophobicContact CG2-CD2 4.19Å; I394-W529 HydrophobicContact CG2-CE3 3.62Å; I394-W529 HydrophobicContact CG2-CG 4.49Å; I394-W529 HydrophobicContact CG2-CZ3 4.32Å; F526-W529 HydrophobicContact CD1-CB 3.93Å; F526-W529 HydrophobicContact CD1-CE3 4.33Å; F526-W529 HydrophobicContact CE1-CB 3.85Å; F526-W529 HydrophobicContact CE1-CE3 4.03Å; W529-G533 PolarHBondContact NE1-O 3.4Å; W529-T534 HydrophobicContact CZ2-CG2 4.23Å; W529-P535 HydrophobicContact CD2-CG 4.02Å; W529-P535 HydrophobicContact CE3-CG 4.27Å; W529-P535 HydrophobicContact CG-CG 4.18Å; W529-V541 HydrophobicContact CE3-CG2 4.12Å; W529-V541 HydrophobicContact CZ3-CG1 4.23Å; W529-V541 HydrophobicContact CZ3-CG2 3.85Å; W529-R571 VanDerWaalsContact CD1-CD 3.47Å; W529-R571 HydrophobicContact CD2-CB 4.38Å; W529-R571 HydrophobicContact CD2-CG 4.1Å; W529-R571 HydrophobicContact CG-CG 4.1Å; W529-R571 HydrophobicContact CZ2-CG 4.45Å; W529-A574 HydrophobicContact CH2-CB 4.07Å; W529-A574 HydrophobicContact CZ2-CB 4.27Å; W529-F619 AromaticContact CH2-CD1 3.86Å; W529-F619 HydrophobicContact CH2-CD1 3.86Å; W529-F619 AromaticContact CH2-CE1 3.53Å; W529-F619 HydrophobicContact CH2-CE1 3.53Å; W529-F619 AromaticContact CZ2-CD1 3.9Å; W529-F619 HydrophobicContact CZ2-CD1 3.9Å; W529-F619 AromaticContact CZ2-CE1 3.89Å; W529-F619 HydrophobicContact CZ2-CE1 3.89Å; W529-F619 HydrophobicContact CZ3-CE1 4.19Å
530	P	83.4	Confident	90.5	Very high	48 Å²	48	35.3 Å²	35.3	31%	0.312	21%	0.212	S	C	.	.			trans	-68.6	155.1	-175.3	27	-34.9	0	0	0	113.8	V528 R571	V528-P530 WeakPolarHBondContact O-CD 3.39Å; P530-R571 PolarHBondContact O-NE 3.43Å; P530-R571 PolarHBondContact O-NH2 3.48Å
531	D	67.3	Low	90.3	Very high	37 Å²	37	33.2 Å²	33.2	20%	0.198	20%	0.199	C	C	.	.	S	Bend	trans	-58.8	-48.9	177.8	-160.3	10	0	0	0	112.5	E399 R400 K404 R571	E399-D531 HydrophobicContact CB-CB 4.19Å; E399-D531 WeakPolarHBondContact OE2-CB 3.34Å; E399-D531 VanDerWaalsContact OE2-CG 3.3Å; E399-D531 VanDerWaalsContact OE2-OD1 3.12Å; R400-D531 HydrophobicContact CG-CB 4.44Å; K404-D531 WeakPolarHBondContact CE-OD1 3.43Å; K404-D531 VanDerWaalsContact NZ-CG 3.3Å; K404-D531 IonicContact NZ-OD1 3.79Å; K404-D531 PolarHBondContact NZ-OD1 2.83Å; K404-D531 IonicContact NZ-OD2 2.74Å; K404-D531 PolarHBondContact NZ-OD2 2.75Å; K404-D531 VanDerWaalsContact NZ-OD2 3.14Å; D531-R571 IonicContact OD1-NH2 3.77Å
532	H	73.3	Confident	90.2	Very high	119 Å²	119	34.2 Å²	34.2	55%	0.551	20%	0.204	S	C	*	.	S	Bend	trans	-115.2	125.9	173.2	-65.7	-96.1	0	0	0	108.8	R400	R400-H532 PolarHBondContact NH1-CD2 3.47Å; R400-H532 PolarHBondContact NH1-NE2 2.9Å
533	G	85.6	Confident	89.9	Confident	29 Å²	29	37.2 Å²	37.2	30%	0.299	22%	0.222	S	C	.	.	S	Bend	trans	100.2	-157.6	-177.6	0	0	0	0	0	113.1	W529	W529-G533 PolarHBondContact NE1-O 3.4Å
534	T	89.7	Confident	89.8	Confident	32 Å²	32	37.3 Å²	37.3	20%	0.196	22%	0.223	C	C	.	.			trans	-139.9	161.7	-174.9	52.4	0	0	0	0	109.6	W529 S536 T615 Q616 F619	W529-T534 HydrophobicContact CZ2-CG2 4.23Å; T534-S536 PolarHBondContact O-N 2.89Å; T534-T615 HydrophobicContact CG2-CG2 4.15Å; T534-Q616 HydrophobicContact CG2-CG 4.12Å; T534-F619 HydrophobicContact CG2-CB 3.59Å; T534-F619 HydrophobicContact CG2-CD1 4.28Å; T534-F619 HydrophobicContact CG2-CD2 4.27Å; T534-F619 HydrophobicContact CG2-CG 3.8Å
535	P	90.7	Very high	89.6	Confident	12 Å²	12	37.4 Å²	37.4	8%	0.078	22%	0.223	C	C	.	.			trans	-51.7	137.2	171.6	-26.3	35.6	0	0	0	110.9	W529 D537 V541 F619	W529-P535 HydrophobicContact CD2-CG 4.02Å; W529-P535 HydrophobicContact CE3-CG 4.27Å; W529-P535 HydrophobicContact CG-CG 4.18Å; P535-D537 VanDerWaalsContact C-N 3.3Å; P535-V541 HydrophobicContact CG-CG2 3.95Å; P535-F619 HydrophobicContact CB-CE2 4.1Å; P535-F619 HydrophobicContact CB-CZ 4.12Å; P535-F619 HydrophobicContact CG-CE2 4.34Å; P535-F619 HydrophobicContact CG-CZ 3.99Å; P535-F619 VanDerWaalsContact O-CE2 3.26Å; P535-F619 WeakPolarHBondContact O-CE2 3.33Å
536	S	87	Confident	89.4	Confident	127 Å²	127	41.3 Å²	41.3	89%	0.888	24%	0.242	S	C	*	.	S	Bend	trans	-67	-35.8	178.9	50.6	0	0	0	0	111.9	T534	T534-S536 PolarHBondContact O-N 2.89Å
537	D	89.6	Confident	89.4	Confident	78 Å²	78	44 Å²	44	42%	0.417	26%	0.256	S	S	.	.	S	Bend	trans	-108.2	119.2	174.8	-179.3	8.6	0	0	0	109.8	P535 S539 C540	P535-D537 VanDerWaalsContact C-N 3.3Å; D537-S539 PolarHBondContact O-N 3.29Å; D537-S539 WeakPolarHBondContact OD1-CB 3.07Å; D537-S539 PolarHBondContact OD1-N 2.66Å; D537-S539 PolarHBondContact OD1-OG 2.76Å; D537-C540 PolarHBondContact O-SG 3.27Å
538	P	94.2	Very high	89.8	Confident	13 Å²	13	42.3 Å²	42.3	8%	0.084	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.9	175.1	-19.3	31.7	0	0	0	114.3	C540 V541 L542 F619 K622 A623 Q626	P538-C540 VanDerWaalsContact C-N 3.26Å; P538-C540 PolarHBondContact O-N 2.8Å; P538-V541 WeakPolarHBondContact O-CB 2.76Å; P538-V541 PolarHBondContact O-N 3.46Å; P538-L542 PolarHBondContact O-N 2.9Å; P538-L542 VanDerWaalsContact O-N 3.14Å; P538-F619 HydrophobicContact CB-CE2 4.17Å; P538-F619 HydrophobicContact CB-CZ 4.31Å; P538-F619 HydrophobicContact CG-CE2 4.14Å; P538-K622 HydrophobicContact CG-CB 3.94Å; P538-A623 HydrophobicContact CB-CB 4.15Å; P538-Q626 HydrophobicContact CB-CB 4.17Å; P538-Q626 HydrophobicContact CB-CG 4.41Å; P538-Q626 HydrophobicContact CG-CB 4.41Å
539	S	92.5	Very high	90	Very high	28 Å²	28	40.1 Å²	40.1	20%	0.196	23%	0.233	C	C	.	.	H	α-helix	trans	-56.4	-38.7	-176	-71.3	0	0	0	0	112.8	D537 V541 L542 D543 Q626	D537-S539 PolarHBondContact O-N 3.29Å; D537-S539 WeakPolarHBondContact OD1-CB 3.07Å; D537-S539 PolarHBondContact OD1-N 2.66Å; D537-S539 PolarHBondContact OD1-OG 2.76Å; S539-V541 PolarHBondContact O-N 2.8Å; S539-V541 VanDerWaalsContact O-N 3.16Å; S539-L542 PolarHBondContact O-N 2.91Å; S539-D543 VanDerWaalsContact O-CG 3.28Å; S539-D543 PolarHBondContact O-N 2.78Å; S539-Q626 PolarHBondContact OG-NE2 3.4Å
540	C	92.6	Very high	90.2	Very high	16 Å²	16	42.3 Å²	42.3	11%	0.108	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-28.7	179	67	0	0	0	0	113.3	N438 D537 P538 F544	N438-C540 HydrophobicContact CB-CB 4.49Å; N438-C540 WeakPolarHBondContact ND2-CB 3.49Å; D537-C540 PolarHBondContact O-SG 3.27Å; P538-C540 VanDerWaalsContact C-N 3.26Å; P538-C540 PolarHBondContact O-N 2.8Å; C540-F544 VanDerWaalsContact O-CB 3.28Å; C540-F544 WeakPolarHBondContact O-CB 3.36Å; C540-F544 PolarHBondContact O-N 2.84Å
541	V	94.7	Very high	90.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-80.3	-39.8	175.4	176.5	0	0	0	0	110.4	F526 W529 P535 P538 S539 F544 M545 F619	F526-V541 HydrophobicContact CE1-CG2 4.37Å; F526-V541 HydrophobicContact CZ-CG2 4.01Å; W529-V541 HydrophobicContact CE3-CG2 4.12Å; W529-V541 HydrophobicContact CZ3-CG1 4.23Å; W529-V541 HydrophobicContact CZ3-CG2 3.85Å; P535-V541 HydrophobicContact CG-CG2 3.95Å; P538-V541 WeakPolarHBondContact O-CB 2.76Å; P538-V541 PolarHBondContact O-N 3.46Å; S539-V541 PolarHBondContact O-N 2.8Å; S539-V541 VanDerWaalsContact O-N 3.16Å; V541-F544 WeakPolarHBondContact O-CB 3.34Å; V541-F544 PolarHBondContact O-N 3.19Å; V541-M545 HydrophobicContact CG1-CE 3.72Å; V541-M545 HydrophobicContact CG1-SD 4.16Å; V541-M545 VanDerWaalsContact O-CG 3.3Å; V541-M545 WeakPolarHBondContact O-CG 3.21Å; V541-M545 PolarHBondContact O-N 3.07Å; V541-F619 HydrophobicContact CB-CZ 4.36Å; V541-F619 HydrophobicContact CG2-CE1 4.09Å; V541-F619 HydrophobicContact CG2-CZ 3.8Å
542	L	95.7	Very high	92.1	Very high	21 Å²	21	42.6 Å²	42.6	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-44.2	178.4	-63.2	178	0	0	0	112.1	P538 S539 F544 M545 H546 I578 I582 A623 Q626	P538-L542 PolarHBondContact O-N 2.9Å; P538-L542 VanDerWaalsContact O-N 3.14Å; S539-L542 PolarHBondContact O-N 2.91Å; L542-F544 VanDerWaalsContact C-N 3.32Å; L542-F544 PolarHBondContact O-N 3.17Å; L542-M545 PolarHBondContact O-N 3.19Å; L542-H546 PolarHBondContact O-N 3.29Å; L542-I578 HydrophobicContact CD2-CG2 4.41Å; L542-I582 HydrophobicContact CD2-CD1 3.34Å; L542-A623 HydrophobicContact CD2-CB 4.46Å; L542-Q626 HydrophobicContact CD1-CB 3.88Å; L542-Q626 HydrophobicContact CD1-CG 3.65Å
543	D	93.7	Very high	93	Very high	96 Å²	96	42.3 Å²	42.3	51%	0.513	25%	0.248	S	C	.	.	H	α-helix	trans	-63.2	-42.5	176.3	-64	-23.7	0	0	0	110.7	S539 M545 H546 D547	S539-D543 VanDerWaalsContact O-CG 3.28Å; S539-D543 PolarHBondContact O-N 2.78Å; D543-M545 VanDerWaalsContact C-N 3.34Å; D543-M545 PolarHBondContact O-N 3.29Å; D543-H546 WeakPolarHBondContact O-CB 3.36Å; D543-H546 PolarHBondContact O-N 2.76Å; D543-D547 PolarHBondContact O-N 2.99Å
544	F	95.4	Very high	93.5	Very high	2 Å²	2	44 Å²	44	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-41.6	175.5	179.5	-118.9	0	0	0	112.5	V392 Y439 Y524 F526 C540 V541 L542 D547 I548 F575	V392-F544 HydrophobicContact CG1-CE1 3.7Å; V392-F544 HydrophobicContact CG1-CZ 3.9Å; Y439-F544 AromaticContact CD1-CD2 3.44Å; Y439-F544 HydrophobicContact CD1-CD2 3.44Å; Y439-F544 VanDerWaalsContact CD1-CD2 3.44Å; Y439-F544 AromaticContact CD1-CE2 3.96Å; Y439-F544 HydrophobicContact CD1-CE2 3.96Å; Y439-F544 HydrophobicContact CD1-CG 4.44Å; Y439-F544 HydrophobicContact CD2-CD2 4.21Å; Y439-F544 AromaticContact CD2-CE2 3.96Å; Y439-F544 HydrophobicContact CD2-CE2 3.96Å; Y439-F544 AromaticContact CE1-CD2 3.84Å; Y439-F544 HydrophobicContact CE1-CD2 3.84Å; Y439-F544 AromaticContact CG-CD2 3.64Å; Y439-F544 HydrophobicContact CG-CD2 3.64Å; Y439-F544 AromaticContact CG-CE2 3.63Å; Y439-F544 HydrophobicContact CG-CE2 3.63Å; Y524-F544 HydrophobicContact CD1-CD2 4.39Å; Y524-F544 AromaticContact CD1-CE2 3.79Å; Y524-F544 HydrophobicContact CD1-CE2 3.79Å; Y524-F544 HydrophobicContact CG-CE2 4.16Å; F526-F544 HydrophobicContact CB-CD1 4.37Å; F526-F544 HydrophobicContact CB-CE1 3.76Å; F526-F544 HydrophobicContact CB-CE2 4.21Å; F526-F544 HydrophobicContact CB-CZ 3.65Å; F526-F544 HydrophobicContact CD2-CB 4.13Å; F526-F544 AromaticContact CD2-CD1 3.64Å; F526-F544 HydrophobicContact CD2-CD1 3.64Å; F526-F544 AromaticContact CD2-CD2 3.87Å; F526-F544 HydrophobicContact CD2-CD2 3.87Å; F526-F544 AromaticContact CD2-CE1 3.9Å; F526-F544 HydrophobicContact CD2-CE1 3.9Å; F526-F544 HydrophobicContact CD2-CE2 4.07Å; F526-F544 AromaticContact CD2-CG 3.62Å; F526-F544 HydrophobicContact CD2-CG 3.62Å; F526-F544 HydrophobicContact CD2-CZ 4.09Å; F526-F544 HydrophobicContact CE2-CB 4.01Å; F526-F544 HydrophobicContact CE2-CD1 4.18Å; F526-F544 HydrophobicContact CE2-CG 4.02Å; F526-F544 HydrophobicContact CG-CD1 4.18Å; F526-F544 HydrophobicContact CG-CE1 4.06Å; F526-F544 HydrophobicContact CG-CZ 4.28Å; C540-F544 VanDerWaalsContact O-CB 3.28Å; C540-F544 WeakPolarHBondContact O-CB 3.36Å; C540-F544 PolarHBondContact O-N 2.84Å; V541-F544 WeakPolarHBondContact O-CB 3.34Å; V541-F544 PolarHBondContact O-N 3.19Å; L542-F544 VanDerWaalsContact C-N 3.32Å; L542-F544 PolarHBondContact O-N 3.17Å; F544-D547 PolarHBondContact O-N 2.85Å; F544-I548 HydrophobicContact CD1-CD1 3.74Å; F544-I548 HydrophobicContact CD2-CD1 4.11Å; F544-I548 HydrophobicContact CE1-CD1 3.4Å; F544-I548 HydrophobicContact CE2-CD1 3.84Å; F544-I548 HydrophobicContact CE2-CG1 4.49Å; F544-I548 HydrophobicContact CG-CD1 4.09Å; F544-I548 HydrophobicContact CZ-CD1 3.47Å; F544-I548 VanDerWaalsContact CZ-CD1 3.47Å; F544-I548 HydrophobicContact CZ-CG1 4.5Å; F544-I548 WeakPolarHBondContact O-CD1 3.35Å; F544-I548 WeakPolarHBondContact O-CG1 3.09Å; F544-I548 PolarHBondContact O-N 2.81Å; F544-I548 VanDerWaalsContact O-N 3.12Å; F544-F575 AromaticContact CD1-CE2 3.79Å; F544-F575 HydrophobicContact CD1-CE2 3.79Å; F544-F575 AromaticContact CE1-CE2 3.85Å; F544-F575 HydrophobicContact CE1-CE2 3.85Å
545	M	95.5	Very high	93.7	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.039	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-39.5	175	-75.4	175.5	173.3	0	0	112.4	V541 L542 D543 I548 S549 F575 I578 D579 I582	V541-M545 HydrophobicContact CG1-CE 3.72Å; V541-M545 HydrophobicContact CG1-SD 4.16Å; V541-M545 VanDerWaalsContact O-CG 3.3Å; V541-M545 WeakPolarHBondContact O-CG 3.21Å; V541-M545 PolarHBondContact O-N 3.07Å; L542-M545 PolarHBondContact O-N 3.19Å; D543-M545 VanDerWaalsContact C-N 3.34Å; D543-M545 PolarHBondContact O-N 3.29Å; M545-I548 PolarHBondContact O-N 3.31Å; M545-S549 PolarHBondContact O-N 3.31Å; M545-F575 HydrophobicContact CE-CB 4.17Å; M545-F575 HydrophobicContact CE-CD1 4.27Å; M545-F575 HydrophobicContact CE-CD2 3.2Å; M545-F575 HydrophobicContact CE-CE1 4.47Å; M545-F575 HydrophobicContact CE-CE2 3.46Å; M545-F575 VanDerWaalsContact CE-CE2 3.46Å; M545-F575 HydrophobicContact CE-CG 3.64Å; M545-F575 HydrophobicContact CE-CZ 4.09Å; M545-F575 WeakPolarHBondContact CE-O 3.41Å; M545-F575 HydrophobicContact CG-CD2 4.2Å; M545-F575 HydrophobicContact CG-CE2 3.48Å; M545-F575 VanDerWaalsContact CG-CE2 3.48Å; M545-F575 HydrophobicContact CG-CZ 3.86Å; M545-F575 HydrophobicContact SD-CE2 4.41Å; M545-I578 HydrophobicContact CE-CB 3.85Å; M545-I578 HydrophobicContact CE-CG2 3.77Å; M545-I578 HydrophobicContact SD-CB 4.29Å; M545-I578 HydrophobicContact SD-CG2 3.58Å; M545-I578 VanDerWaalsContact SD-CG2 3.58Å; M545-D579 HydrophobicContact CE-CB 4.28Å; M545-D579 HydrophobicContact SD-CB 4.25Å; M545-I582 HydrophobicContact SD-CD1 4.26Å
546	H	93.6	Very high	93.6	Very high	95 Å²	95	49.9 Å²	49.9	44%	0.44	29%	0.291	S	S	.	.	H	α-helix	trans	-59.1	-48.6	176.1	177.1	-83.8	0	0	0	111.3	L542 D543 I548 S549 A550	L542-H546 PolarHBondContact O-N 3.29Å; D543-H546 WeakPolarHBondContact O-CB 3.36Å; D543-H546 PolarHBondContact O-N 2.76Å; H546-I548 VanDerWaalsContact C-N 3.32Å; H546-I548 PolarHBondContact O-N 3.39Å; H546-S549 PolarHBondContact O-N 3.17Å; H546-A550 WeakPolarHBondContact O-CB 3.48Å; H546-A550 PolarHBondContact O-N 3.03Å
547	D	95.6	Very high	93.7	Very high	58 Å²	58	47.4 Å²	47.4	31%	0.31	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-39.9	178.3	-68	-14.4	0	0	0	112.4	Y439 Y524 D543 F544 R551	Y439-D547 PolarHBondContact OH-OD2 3.35Å; Y524-D547 HydrophobicContact CE1-CB 4.34Å; Y524-D547 PolarHBondContact OH-O 3.3Å; D543-D547 PolarHBondContact O-N 2.99Å; F544-D547 PolarHBondContact O-N 2.85Å; D547-R551 WeakPolarHBondContact O-CB 3.42Å; D547-R551 PolarHBondContact O-N 3.44Å
548	I	96.8	Very high	93.9	Very high	3 Å²	3	45 Å²	45	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-47.7	176.4	-73.1	163.1	0	0	0	111.1	V390 V392 Y524 F544 M545 H546 R551 Q552 I561 F575	V390-I548 HydrophobicContact CG1-CG2 4.21Å; V392-I548 HydrophobicContact CB-CD1 4.42Å; V392-I548 HydrophobicContact CG1-CD1 3.91Å; V392-I548 HydrophobicContact CG2-CD1 3.6Å; V392-I548 HydrophobicContact CG2-CG1 4.21Å; V392-I548 HydrophobicContact CG2-CG2 4.15Å; Y524-I548 HydrophobicContact CD1-CG1 3.95Å; Y524-I548 HydrophobicContact CD2-CG1 3.96Å; Y524-I548 HydrophobicContact CE1-CG1 4.21Å; Y524-I548 HydrophobicContact CE2-CG1 4.18Å; Y524-I548 HydrophobicContact CG-CD1 4.35Å; Y524-I548 HydrophobicContact CG-CG1 3.82Å; F544-I548 HydrophobicContact CD1-CD1 3.74Å; F544-I548 HydrophobicContact CD2-CD1 4.11Å; F544-I548 HydrophobicContact CE1-CD1 3.4Å; F544-I548 HydrophobicContact CE2-CD1 3.84Å; F544-I548 HydrophobicContact CE2-CG1 4.49Å; F544-I548 HydrophobicContact CG-CD1 4.09Å; F544-I548 HydrophobicContact CZ-CD1 3.47Å; F544-I548 VanDerWaalsContact CZ-CD1 3.47Å; F544-I548 HydrophobicContact CZ-CG1 4.5Å; F544-I548 WeakPolarHBondContact O-CD1 3.35Å; F544-I548 WeakPolarHBondContact O-CG1 3.09Å; F544-I548 PolarHBondContact O-N 2.81Å; F544-I548 VanDerWaalsContact O-N 3.12Å; M545-I548 PolarHBondContact O-N 3.31Å; H546-I548 VanDerWaalsContact C-N 3.32Å; H546-I548 PolarHBondContact O-N 3.39Å; I548-R551 PolarHBondContact O-N 3.29Å; I548-Q552 WeakPolarHBondContact O-CB 3.46Å; I548-Q552 PolarHBondContact O-N 3.08Å; I548-I561 HydrophobicContact CG2-CD1 4.07Å; I548-F575 HydrophobicContact CD1-CE2 4.15Å; I548-F575 HydrophobicContact CD1-CZ 3.77Å
549	S	92.9	Very high	93.9	Very high	13 Å²	13	45 Å²	45	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-50.1	179.3	-165.6	0	0	0	0	110.3	M545 H546 R551 Q552 D553	M545-S549 PolarHBondContact O-N 3.31Å; H546-S549 PolarHBondContact O-N 3.17Å; S549-R551 PolarHBondContact O-N 3.06Å; S549-Q552 PolarHBondContact O-N 3.5Å; S549-D553 WeakPolarHBondContact O-CB 3.42Å; S549-D553 PolarHBondContact O-N 3.4Å; S549-D553 PolarHBondContact OG-OD2 2.69Å; S549-D553 VanDerWaalsContact OG-OD2 3.08Å
550	A	94.8	Very high	94.1	Very high	52 Å²	52	44.3 Å²	44.3	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-56.5	-39.6	177.9	0	0	0	0	0	111.9	H546 S554	H546-A550 WeakPolarHBondContact O-CB 3.48Å; H546-A550 PolarHBondContact O-N 3.03Å; A550-S554 WeakPolarHBondContact O-CB 3.41Å; A550-S554 PolarHBondContact O-N 3.15Å; A550-S554 VanDerWaalsContact O-N 3.1Å
551	R	96.2	Very high	94.4	Very high	68 Å²	68	43.6 Å²	43.6	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-67.6	-47	174.8	-179.7	54.7	57.9	178.5	1.8	112.3	V390 Y522 Y524 D547 I548 S549 D553 S554 I555	V390-R551 HydrophobicContact CG2-CG 4.14Å; Y522-R551 HydrophobicContact CD1-CG 4.44Å; Y522-R551 HydrophobicContact CD2-CG 4.06Å; Y522-R551 HydrophobicContact CG-CG 3.97Å; Y522-R551 PolarHBondContact OH-NH1 2.82Å; Y524-R551 HydrophobicContact CE2-CB 4.24Å; Y524-R551 HydrophobicContact CE2-CG 4.11Å; Y524-R551 VanDerWaalsContact OH-CB 3.26Å; Y524-R551 WeakPolarHBondContact OH-CB 3.31Å; D547-R551 WeakPolarHBondContact O-CB 3.42Å; D547-R551 PolarHBondContact O-N 3.44Å; I548-R551 PolarHBondContact O-N 3.29Å; S549-R551 PolarHBondContact O-N 3.06Å; R551-D553 VanDerWaalsContact C-N 3.3Å; R551-D553 PolarHBondContact O-N 3.25Å; R551-S554 PolarHBondContact O-N 3.28Å; R551-S554 PolarHBondContact O-OG 3.21Å; R551-I555 HydrophobicContact CG-CD1 4.19Å; R551-I555 WeakPolarHBondContact O-CG1 3.36Å
552	Q	95	Very high	94.6	Very high	23 Å²	23	43.5 Å²	43.5	11%	0.107	27%	0.269	C	S	.	.	H	α-helix	trans	-57.8	-46.4	178.6	-179.6	68.4	17.9	0	0	110.8	V390 I548 S549 S554 I555 G559 I561	V390-Q552 VanDerWaalsContact CG2-OE1 3.28Å; I548-Q552 WeakPolarHBondContact O-CB 3.46Å; I548-Q552 PolarHBondContact O-N 3.08Å; S549-Q552 PolarHBondContact O-N 3.5Å; Q552-S554 VanDerWaalsContact C-N 3.28Å; Q552-S554 PolarHBondContact O-N 3Å; Q552-I555 PolarHBondContact O-N 3.1Å; Q552-G559 PolarHBondContact NE2-O 3.46Å; Q552-I561 HydrophobicContact CB-CD1 4.22Å; Q552-I561 HydrophobicContact CG-CD1 4.02Å; Q552-I561 HydrophobicContact CG-CG1 4.06Å
553	D	91.2	Very high	94.7	Very high	113 Å²	113	42.5 Å²	42.5	60%	0.604	26%	0.263	S	S	*	.	H	α-helix	trans	-70.1	-25.9	-177.4	-59.2	-31.1	0	0	0	111.8	S549 R551 I555	S549-D553 WeakPolarHBondContact O-CB 3.42Å; S549-D553 PolarHBondContact O-N 3.4Å; S549-D553 PolarHBondContact OG-OD2 2.69Å; S549-D553 VanDerWaalsContact OG-OD2 3.08Å; R551-D553 VanDerWaalsContact C-N 3.3Å; R551-D553 PolarHBondContact O-N 3.25Å; D553-I555 VanDerWaalsContact C-N 3.27Å; D553-I555 PolarHBondContact O-N 2.92Å
554	S	95.4	Very high	95	Very high	66 Å²	66	38 Å²	38	46%	0.462	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.8	176.2	75.4	0	0	0	0	115.2	A550 R551 Q552 P556	A550-S554 WeakPolarHBondContact O-CB 3.41Å; A550-S554 PolarHBondContact O-N 3.15Å; A550-S554 VanDerWaalsContact O-N 3.1Å; R551-S554 PolarHBondContact O-N 3.28Å; R551-S554 PolarHBondContact O-OG 3.21Å; Q552-S554 VanDerWaalsContact C-N 3.28Å; Q552-S554 PolarHBondContact O-N 3Å; S554-P556 WeakPolarHBondContact O-CD 3.34Å
555	I	94.1	Very high	95	Very high	40 Å²	40	38.2 Å²	38.2	21%	0.205	24%	0.241	C	C	.	.	S	Bend	trans	-112.8	102.3	-173.3	-57.6	166.1	0	0	0	109.7	A389 V390 Y522 R551 Q552 D553 G557 A558	A389-I555 HydrophobicContact CB-CD1 3.8Å; A389-I555 HydrophobicContact CB-CG2 4.09Å; V390-I555 HydrophobicContact CG2-CD1 4.42Å; Y522-I555 HydrophobicContact CD2-CD1 3.71Å; Y522-I555 HydrophobicContact CE2-CD1 3.65Å; Y522-I555 HydrophobicContact CE2-CG1 4.48Å; R551-I555 HydrophobicContact CG-CD1 4.19Å; R551-I555 WeakPolarHBondContact O-CG1 3.36Å; Q552-I555 PolarHBondContact O-N 3.1Å; D553-I555 VanDerWaalsContact C-N 3.27Å; D553-I555 PolarHBondContact O-N 2.92Å; I555-G557 PolarHBondContact O-N 3.39Å; I555-A558 HydrophobicContact CB-CB 3.93Å; I555-A558 HydrophobicContact CG2-CB 3.85Å; I555-A558 WeakPolarHBondContact O-CB 3.37Å; I555-A558 PolarHBondContact O-N 3.25Å; I555-A558 VanDerWaalsContact O-N 3.16Å
556	P	89.9	Confident	95	Very high	127 Å²	127	38.4 Å²	38.4	83%	0.825	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	128.5	178.8	-25.4	34.8	0	0	0	112.1	S554 A558	S554-P556 WeakPolarHBondContact O-CD 3.34Å; P556-A558 PolarHBondContact O-N 3.36Å
557	G	88.9	Confident	95.1	Very high	75 Å²	75	34.2 Å²	34.2	77%	0.773	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	15.7	178	0	0	0	0	0	114.8	I555 G559	I555-G557 PolarHBondContact O-N 3.39Å; G557-G559 PolarHBondContact O-N 2.86Å
558	A	92.6	Very high	95.2	Very high	27 Å²	27	31.4 Å²	31.4	22%	0.223	21%	0.21	C	C	.	.			trans	-55.5	134.3	171	0	0	0	0	0	111.1	A389 I555 P556	A389-A558 HydrophobicContact CB-CB 4.15Å; I555-A558 HydrophobicContact CB-CB 3.93Å; I555-A558 HydrophobicContact CG2-CB 3.85Å; I555-A558 WeakPolarHBondContact O-CB 3.37Å; I555-A558 PolarHBondContact O-N 3.25Å; I555-A558 VanDerWaalsContact O-N 3.16Å; P556-A558 PolarHBondContact O-N 3.36Å
559	G	95.3	Very high	95.2	Very high	14 Å²	14	31.7 Å²	31.7	14%	0.144	21%	0.211	C	C	.	.			trans	-70.5	-172.9	172.3	0	0	0	0	0	113.8	E386 K387 Q552 G557	E386-G559 VanDerWaalsContact O-CA 3.25Å; E386-G559 WeakPolarHBondContact O-CA 3.45Å; K387-G559 WeakPolarHBondContact O-CA 3.36Å; K387-G559 PolarHBondContact O-N 3.45Å; Q552-G559 PolarHBondContact NE2-O 3.46Å; G557-G559 PolarHBondContact O-N 2.86Å
560	P	96.9	Very high	95.3	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.078	21%	0.207	C	C	.	.			trans	-59.1	145.1	177.9	24.1	-33.7	0	0	0	112.3	R364 I366 E386 S388 V562	R364-P560 CarbonylContact O-C 3.54Å; R364-P560 VanDerWaalsContact O-CA 3.25Å; R364-P560 WeakPolarHBondContact O-CA 3.41Å; I366-P560 HydrophobicContact CD1-CB 4.23Å; I366-P560 HydrophobicContact CD1-CG 3.49Å; I366-P560 VanDerWaalsContact CD1-CG 3.49Å; I366-P560 HydrophobicContact CG1-CB 3.98Å; I366-P560 HydrophobicContact CG1-CG 3.75Å; E386-P560 HydrophobicContact CB-CG 4.18Å; S388-P560 VanDerWaalsContact CB-O 3.27Å; S388-P560 WeakPolarHBondContact CB-O 3.45Å; S388-P560 PolarHBondContact OG-O 2.8Å; P560-V562 PolarHBondContact O-N 2.84Å
561	I	98.3	Very high	95.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122	172.7	-58.2	169.5	0	0	0	108.4	R364 Y365 I366 V390 V392 I548 Q552 V563	R364-I561 PolarHBondContact O-N 3.07Å; Y365-I561 CarbonylContact C-O 3.57Å; Y365-I561 VanDerWaalsContact CA-O 3.26Å; Y365-I561 WeakPolarHBondContact CA-O 3.45Å; Y365-I561 HydrophobicContact CD1-CB 4.27Å; Y365-I561 HydrophobicContact CE1-CD1 4.43Å; I366-I561 PolarHBondContact N-O 2.73Å; V390-I561 HydrophobicContact CB-CG1 4.47Å; V390-I561 HydrophobicContact CB-CG2 4.42Å; V390-I561 HydrophobicContact CG1-CG2 4.13Å; V392-I561 HydrophobicContact CG2-CG2 3.56Å; I548-I561 HydrophobicContact CG2-CD1 4.07Å; Q552-I561 HydrophobicContact CB-CD1 4.22Å; Q552-I561 HydrophobicContact CG-CD1 4.02Å; Q552-I561 HydrophobicContact CG-CG1 4.06Å; I561-V563 HydrophobicContact CG2-CG2 3.91Å; I561-V563 PolarHBondContact O-N 3.3Å
562	V	98.8	Very high	95.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.8	175.1	-179.5	0	0	0	0	109.6	I366 T368 F379 M382 I383 S388 V390 I391 V392 P560	I366-V562 HydrophobicContact CB-CG2 4.14Å; I366-V562 HydrophobicContact CD1-CG2 4.35Å; I366-V562 CarbonylContact O-C 3.57Å; I366-V562 WeakPolarHBondContact O-CA 3.46Å; T368-V562 HydrophobicContact CG2-CG1 3.69Å; F379-V562 HydrophobicContact CE2-CG1 4.29Å; F379-V562 HydrophobicContact CZ-CG1 4.35Å; M382-V562 HydrophobicContact CE-CG1 3.93Å; M382-V562 HydrophobicContact CE-CG2 4.4Å; I383-V562 HydrophobicContact CD1-CB 3.94Å; I383-V562 HydrophobicContact CD1-CG1 4.13Å; I383-V562 HydrophobicContact CD1-CG2 3.4Å; S388-V562 WeakPolarHBondContact OG-CG2 3.48Å; V390-V562 PolarHBondContact O-N 2.92Å; I391-V562 CarbonylContact C-O 3.57Å; I391-V562 WeakPolarHBondContact CA-O 3.3Å; I391-V562 HydrophobicContact CG1-CB 4.47Å; V392-V562 PolarHBondContact N-O 3.47Å; P560-V562 PolarHBondContact O-N 2.84Å
563	V	98.8	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.8	-179.1	-168.2	0	0	0	0	109.7	Y365 I366 A367 T368 V392 I394 I561 T572 F575 I576	Y365-V563 HydrophobicContact CD1-CG2 4.27Å; I366-V563 PolarHBondContact O-N 3.45Å; A367-V563 WeakPolarHBondContact CA-O 3.05Å; T368-V563 PolarHBondContact N-O 3.26Å; T368-V563 VanDerWaalsContact N-O 3.14Å; V392-V563 HydrophobicContact CB-CB 4.47Å; V392-V563 HydrophobicContact CB-CG1 4.2Å; V392-V563 HydrophobicContact CB-CG2 4.25Å; V392-V563 HydrophobicContact CG1-CG1 4.24Å; V392-V563 WeakPolarHBondContact O-CA 3.23Å; I394-V563 HydrophobicContact CD1-CG1 3.87Å; I561-V563 HydrophobicContact CG2-CG2 3.91Å; I561-V563 PolarHBondContact O-N 3.3Å; V563-T572 HydrophobicContact CB-CG2 4.08Å; V563-T572 HydrophobicContact CG1-CG2 3.84Å; V563-F575 HydrophobicContact CG1-CD1 3.81Å; V563-F575 HydrophobicContact CG1-CE1 4.34Å; V563-F575 HydrophobicContact CG1-CG 4.44Å; V563-F575 HydrophobicContact CG2-CD1 4.29Å; V563-F575 HydrophobicContact CG2-CE1 4.22Å; V563-I576 HydrophobicContact CB-CD1 4.23Å; V563-I576 HydrophobicContact CB-CG1 4.4Å; V563-I576 HydrophobicContact CG1-CG1 4.47Å; V563-I576 HydrophobicContact CG2-CD1 4.36Å; V563-I576 HydrophobicContact CG2-CG1 4.22Å
564	H	98.5	Very high	95.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.3	176.2	80.1	89.6	0	0	0	113.2	T368 V392 M393 I394 Y408	T368-H564 HydrophobicContact CG2-CB 3.7Å; T368-H564 WeakPolarHBondContact O-CA 3.41Å; T368-H564 WeakPolarHBondContact O-CB 3.04Å; V392-H564 PolarHBondContact O-N 3.35Å; M393-H564 WeakPolarHBondContact CA-O 2.8Å; M393-H564 WeakPolarHBondContact CB-NE2 3.44Å; M393-H564 WeakPolarHBondContact CG-CE1 3.47Å; I394-H564 PolarHBondContact N-O 2.95Å; Y408-H564 AromaticContact CE1-CE1 3.73Å; Y408-H564 AromaticContact CE1-NE2 3.48Å; Y408-H564 WeakPolarHBondContact CE1-NE2 3.31Å; Y408-H564 AromaticContact CZ-NE2 3.48Å; Y408-H564 PolarHBondContact OH-NE2 3.45Å
565	C	95.7	Very high	96	Very high	7 Å²	7	16.7 Å²	16.7	5%	0.047	12%	0.122	C	C	.	.	S	Bend	trans	-129.8	-121.4	168.1	57.6	0	0	0	0	107.9	G370 T395 G568 R571 T572	G370-C565 VanDerWaalsContact CA-O 3.23Å; G370-C565 WeakPolarHBondContact CA-O 3.28Å; G370-C565 PolarHBondContact N-O 3.45Å; T395-C565 WeakPolarHBondContact CG2-O 3.39Å; C565-G568 PolarHBondContact SG-N 2.78Å; C565-G568 VanDerWaalsContact SG-N 3.39Å; C565-R571 HydrophobicContact CB-CB 4.21Å; C565-T572 PolarHBondContact N-OG1 3.31Å; C565-T572 PolarHBondContact SG-OG1 2.85Å
566	S	95.4	Very high	96.2	Very high	12 Å²	12	14.8 Å²	14.8	8%	0.084	11%	0.112	C	C	.	.	S	Bend	trans	-89.2	-66.2	170.7	-169.8	0	0	0	0	111.1	R270 Y271 G370 K404	R270-S566 VanDerWaalsContact CD-O 3.3Å; R270-S566 WeakPolarHBondContact CD-O 3.3Å; Y271-S566 PolarHBondContact OH-OG 2.7Å; G370-S566 PolarHBondContact N-O 2.9Å; K404-S566 WeakPolarHBondContact CD-OG 2.99Å; K404-S566 WeakPolarHBondContact O-CA 3.11Å; K404-S566 PolarHBondContact O-OG 2.86Å
567	A	96	Very high	96.5	Very high	7 Å²	7	8.7 Å²	8.7	6%	0.058	7%	0.073	C	C	.	.	S	Bend	trans	-83.4	-17.3	176.9	0	0	0	0	0	113.6	Y271 I274 I569 R607	Y271-A567 HydrophobicContact CD2-CB 3.77Å; Y271-A567 VanDerWaalsContact CE2-CA 3.5Å; Y271-A567 HydrophobicContact CE2-CB 3.52Å; I274-A567 HydrophobicContact CD1-CB 3.61Å; A567-I569 HydrophobicContact CB-CG1 3.91Å; A567-R607 PolarHBondContact O-NH2 2.87Å
568	G	97.3	Very high	97	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	75	23	-176	0	0	0	0	0	114.4	T368 C565 R607	T368-G568 WeakPolarHBondContact O-CA 3.33Å; C565-G568 PolarHBondContact SG-N 2.78Å; C565-G568 VanDerWaalsContact SG-N 3.39Å; G568-R607 PolarHBondContact O-NE 2.9Å; G568-R607 VanDerWaalsContact O-NE 3.17Å
569	I	96.8	Very high	97.1	Very high	8 Å²	8	4.2 Å²	4.2	4%	0.041	3%	0.028	C	C	.	.	S	Bend	trans	-133	-38.6	-177.6	62.5	167.4	0	0	0	114.6	I274 A567 G573 R607 S608 G609 M610 V611 Q612	I274-I569 HydrophobicContact CD1-CD1 3.82Å; I274-I569 HydrophobicContact CD1-CG1 4.46Å; I274-I569 HydrophobicContact CG1-CD1 4.19Å; I274-I569 HydrophobicContact CG2-CD1 3.85Å; I274-I569 HydrophobicContact CG2-CG1 4.28Å; I274-I569 HydrophobicContact CG2-CG2 3.95Å; A567-I569 HydrophobicContact CB-CG1 3.91Å; I569-G573 WeakPolarHBondContact O-CA 3.26Å; I569-G573 PolarHBondContact O-N 3.29Å; I569-G573 VanDerWaalsContact O-N 3.11Å; I569-R607 HydrophobicContact CG2-CG 4.09Å; I569-S608 WeakPolarHBondContact CG2-O 3.43Å; I569-G609 WeakPolarHBondContact CB-O 3.46Å; I569-M610 HydrophobicContact CB-SD 4.1Å; I569-M610 HydrophobicContact CG2-SD 4.09Å; I569-M610 CarbonylContact O-C 3.51Å; I569-M610 VanDerWaalsContact O-CA 3.29Å; I569-M610 WeakPolarHBondContact O-CA 3.44Å; I569-V611 PolarHBondContact O-N 3.39Å; I569-Q612 HydrophobicContact CD1-CG 4.03Å; I569-Q612 VanDerWaalsContact CD1-NE2 3.31Å; I569-Q612 HydrophobicContact CG1-CG 3.98Å
570	G	95.5	Very high	97.1	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.01	2%	0.022	C	C	.	.	H	α-helix	trans	-71.4	-86.2	179.8	0	0	0	0	0	114	T572 G573 A574	G570-T572 VanDerWaalsContact C-N 3.26Å; G570-T572 PolarHBondContact O-N 3.35Å; G570-G573 PolarHBondContact O-N 2.81Å; G570-G573 VanDerWaalsContact O-N 3.1Å; G570-A574 PolarHBondContact O-N 3.47Å
571	R	96.3	Very high	97	Very high	16 Å²	16	3.3 Å²	3.3	6%	0.06	2%	0.019	C	C	.	.	H	α-helix	trans	-59.8	-37.9	178.2	-59.5	-180	-168.1	149.5	17.6	112.3	I394 E399 W529 P530 D531 C565 G573 A574 F575	I394-R571 HydrophobicContact CB-CB 4.49Å; I394-R571 HydrophobicContact CG2-CB 4.19Å; I394-R571 VanDerWaalsContact O-CD 3.22Å; I394-R571 WeakPolarHBondContact O-CD 3.4Å; I394-R571 PolarHBondContact O-NH1 3.36Å; E399-R571 IonicContact OE1-CZ 2.86Å; E399-R571 IonicContact OE1-NH1 2.95Å; E399-R571 PolarHBondContact OE1-NH1 3.18Å; E399-R571 IonicContact OE1-NH2 2.82Å; E399-R571 IonicContact OE2-CZ 3.92Å; E399-R571 IonicContact OE2-NH1 3.86Å; E399-R571 IonicContact OE2-NH2 3.2Å; E399-R571 PolarHBondContact OE2-NH2 3.06Å; W529-R571 VanDerWaalsContact CD1-CD 3.47Å; W529-R571 HydrophobicContact CD2-CB 4.38Å; W529-R571 HydrophobicContact CD2-CG 4.1Å; W529-R571 HydrophobicContact CG-CG 4.1Å; W529-R571 HydrophobicContact CZ2-CG 4.45Å; P530-R571 PolarHBondContact O-NE 3.43Å; P530-R571 PolarHBondContact O-NH2 3.48Å; D531-R571 IonicContact OD1-NH2 3.77Å; C565-R571 HydrophobicContact CB-CB 4.21Å; R571-G573 VanDerWaalsContact C-N 3.34Å; R571-G573 PolarHBondContact O-N 2.84Å; R571-A574 PolarHBondContact O-N 3.38Å; R571-F575 WeakPolarHBondContact O-CB 3.42Å; R571-F575 PolarHBondContact O-N 2.74Å
572	T	97.8	Very high	96.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-57.1	-46.2	173.6	-61.9	0	0	0	0	111.4	A367 V563 C565 G570 F575 I576 M610	A367-T572 HydrophobicContact CB-CG2 3.98Å; V563-T572 HydrophobicContact CB-CG2 4.08Å; V563-T572 HydrophobicContact CG1-CG2 3.84Å; C565-T572 PolarHBondContact N-OG1 3.31Å; C565-T572 PolarHBondContact SG-OG1 2.85Å; G570-T572 VanDerWaalsContact C-N 3.26Å; G570-T572 PolarHBondContact O-N 3.35Å; T572-F575 PolarHBondContact O-N 2.86Å; T572-I576 HydrophobicContact CG2-CD1 3.94Å; T572-I576 WeakPolarHBondContact O-CG1 3.12Å; T572-I576 PolarHBondContact O-N 2.84Å; T572-M610 HydrophobicContact CG2-CE 4.4Å
573	G	97.8	Very high	96.3	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-65.1	-44.5	177.4	0	0	0	0	0	112.7	I569 G570 R571 F575 I576 V577 M610	I569-G573 WeakPolarHBondContact O-CA 3.26Å; I569-G573 PolarHBondContact O-N 3.29Å; I569-G573 VanDerWaalsContact O-N 3.11Å; G570-G573 PolarHBondContact O-N 2.81Å; G570-G573 VanDerWaalsContact O-N 3.1Å; R571-G573 VanDerWaalsContact C-N 3.34Å; R571-G573 PolarHBondContact O-N 2.84Å; G573-F575 PolarHBondContact O-N 2.89Å; G573-I576 PolarHBondContact O-N 3.15Å; G573-V577 WeakPolarHBondContact O-CB 3.28Å; G573-V577 VanDerWaalsContact O-CG2 3.24Å; G573-V577 WeakPolarHBondContact O-CG2 3.39Å; G573-V577 PolarHBondContact O-N 3.41Å; G573-M610 VanDerWaalsContact CA-CE 3.43Å
574	A	97.6	Very high	95.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-60.5	-45.5	176.9	0	0	0	0	0	111.7	W529 G570 R571 V577 I578 Q616 I620	W529-A574 HydrophobicContact CH2-CB 4.07Å; W529-A574 HydrophobicContact CZ2-CB 4.27Å; G570-A574 PolarHBondContact O-N 3.47Å; R571-A574 PolarHBondContact O-N 3.38Å; A574-V577 PolarHBondContact O-N 2.71Å; A574-I578 WeakPolarHBondContact O-CB 3.44Å; A574-I578 VanDerWaalsContact O-CD1 3.31Å; A574-I578 WeakPolarHBondContact O-CD1 3.46Å; A574-I578 WeakPolarHBondContact O-CG1 3.25Å; A574-I578 PolarHBondContact O-N 2.95Å; A574-Q616 HydrophobicContact CB-CB 4.47Å; A574-I620 HydrophobicContact CB-CD1 4.39Å; A574-I620 HydrophobicContact CB-CG1 4.22Å
575	F	97.9	Very high	95.1	Very high	3 Å²	3	4.9 Å²	4.9	1%	0.013	3%	0.027	C	C	.	.	H	α-helix	trans	-59.1	-51.5	176.9	179	-86.5	0	0	0	112	V392 I394 F544 M545 I548 V563 R571 T572 G573 V577 I578 D579	V392-F575 HydrophobicContact CG1-CE1 4.19Å; V392-F575 HydrophobicContact CG1-CE2 4.23Å; V392-F575 HydrophobicContact CG1-CZ 3.98Å; I394-F575 HydrophobicContact CD1-CB 3.43Å; I394-F575 VanDerWaalsContact CD1-CB 3.43Å; I394-F575 HydrophobicContact CD1-CD1 4.09Å; I394-F575 HydrophobicContact CD1-CD2 3.57Å; I394-F575 HydrophobicContact CD1-CE2 4.38Å; I394-F575 HydrophobicContact CD1-CG 3.41Å; I394-F575 VanDerWaalsContact CD1-CG 3.41Å; F544-F575 AromaticContact CD1-CE2 3.79Å; F544-F575 HydrophobicContact CD1-CE2 3.79Å; F544-F575 AromaticContact CE1-CE2 3.85Å; F544-F575 HydrophobicContact CE1-CE2 3.85Å; M545-F575 HydrophobicContact CE-CB 4.17Å; M545-F575 HydrophobicContact CE-CD1 4.27Å; M545-F575 HydrophobicContact CE-CD2 3.2Å; M545-F575 HydrophobicContact CE-CE1 4.47Å; M545-F575 HydrophobicContact CE-CE2 3.46Å; M545-F575 VanDerWaalsContact CE-CE2 3.46Å; M545-F575 HydrophobicContact CE-CG 3.64Å; M545-F575 HydrophobicContact CE-CZ 4.09Å; M545-F575 WeakPolarHBondContact CE-O 3.41Å; M545-F575 HydrophobicContact CG-CD2 4.2Å; M545-F575 HydrophobicContact CG-CE2 3.48Å; M545-F575 VanDerWaalsContact CG-CE2 3.48Å; M545-F575 HydrophobicContact CG-CZ 3.86Å; M545-F575 HydrophobicContact SD-CE2 4.41Å; I548-F575 HydrophobicContact CD1-CE2 4.15Å; I548-F575 HydrophobicContact CD1-CZ 3.77Å; V563-F575 HydrophobicContact CG1-CD1 3.81Å; V563-F575 HydrophobicContact CG1-CE1 4.34Å; V563-F575 HydrophobicContact CG1-CG 4.44Å; V563-F575 HydrophobicContact CG2-CD1 4.29Å; V563-F575 HydrophobicContact CG2-CE1 4.22Å; R571-F575 WeakPolarHBondContact O-CB 3.42Å; R571-F575 PolarHBondContact O-N 2.74Å; T572-F575 PolarHBondContact O-N 2.86Å; G573-F575 PolarHBondContact O-N 2.89Å; F575-V577 PolarHBondContact O-N 3.14Å; F575-I578 PolarHBondContact O-N 2.91Å; F575-D579 PolarHBondContact O-N 3.06Å
576	I	97.8	Very high	94.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61.7	-44.3	-178.7	-71.9	174	0	0	0	111.1	I302 Y365 A367 V563 T572 G573 D579 M580 M610	I302-I576 HydrophobicContact CG1-CD1 4.42Å; I302-I576 HydrophobicContact CG2-CG2 4.1Å; Y365-I576 HydrophobicContact CD1-CG1 4.31Å; Y365-I576 HydrophobicContact CD2-CG2 3.94Å; Y365-I576 HydrophobicContact CE2-CG2 4.01Å; Y365-I576 HydrophobicContact CG-CD1 4.35Å; Y365-I576 HydrophobicContact CG-CG1 4.24Å; Y365-I576 HydrophobicContact CG-CG2 4.37Å; A367-I576 HydrophobicContact CB-CD1 4.04Å; V563-I576 HydrophobicContact CB-CD1 4.23Å; V563-I576 HydrophobicContact CB-CG1 4.4Å; V563-I576 HydrophobicContact CG1-CG1 4.47Å; V563-I576 HydrophobicContact CG2-CD1 4.36Å; V563-I576 HydrophobicContact CG2-CG1 4.22Å; T572-I576 HydrophobicContact CG2-CD1 3.94Å; T572-I576 WeakPolarHBondContact O-CG1 3.12Å; T572-I576 PolarHBondContact O-N 2.84Å; G573-I576 PolarHBondContact O-N 3.15Å; I576-D579 PolarHBondContact O-N 3.33Å; I576-M580 HydrophobicContact CG2-CE 3.86Å; I576-M580 HydrophobicContact CG2-CG 4.29Å; I576-M580 HydrophobicContact CG2-SD 4.03Å; I576-M580 VanDerWaalsContact O-CB 3.27Å; I576-M580 WeakPolarHBondContact O-CB 3.45Å; I576-M580 VanDerWaalsContact O-CG 3.25Å; I576-M580 WeakPolarHBondContact O-CG 3.47Å; I576-M580 PolarHBondContact O-N 3.47Å; I576-M610 HydrophobicContact CD1-CE 3.95Å
577	V	97.9	Very high	93.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.7	-42.7	-178.8	170	0	0	0	0	111.4	G573 A574 F575 M580 L581 T599 I600 V603 I620	G573-V577 WeakPolarHBondContact O-CB 3.28Å; G573-V577 VanDerWaalsContact O-CG2 3.24Å; G573-V577 WeakPolarHBondContact O-CG2 3.39Å; G573-V577 PolarHBondContact O-N 3.41Å; A574-V577 PolarHBondContact O-N 2.71Å; F575-V577 PolarHBondContact O-N 3.14Å; V577-M580 WeakPolarHBondContact O-CB 3.42Å; V577-M580 PolarHBondContact O-N 3.43Å; V577-L581 HydrophobicContact CG1-CD1 3.75Å; V577-L581 HydrophobicContact CG1-CG 4.4Å; V577-L581 WeakPolarHBondContact O-CB 3.37Å; V577-L581 WeakPolarHBondContact O-CD1 3.09Å; V577-L581 VanDerWaalsContact O-CG 3.25Å; V577-L581 WeakPolarHBondContact O-CG 3.35Å; V577-L581 PolarHBondContact O-N 3.29Å; V577-T599 HydrophobicContact CG1-CG2 3.97Å; V577-I600 HydrophobicContact CB-CG1 4.46Å; V577-I600 HydrophobicContact CG1-CG1 3.91Å; V577-I600 HydrophobicContact CG2-CG1 3.93Å; V577-V603 HydrophobicContact CG2-CB 4.38Å; V577-V603 HydrophobicContact CG2-CG2 4.09Å; V577-I620 HydrophobicContact CB-CD1 4.27Å; V577-I620 HydrophobicContact CG1-CD1 4.03Å; V577-I620 HydrophobicContact CG1-CG2 3.92Å
578	I	97.9	Very high	92.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.6	-48	176.1	-68.6	161.7	0	0	0	110.3	L542 M545 A574 F575 M580 L581 I582 F619 I620 A623	L542-I578 HydrophobicContact CD2-CG2 4.41Å; M545-I578 HydrophobicContact CE-CB 3.85Å; M545-I578 HydrophobicContact CE-CG2 3.77Å; M545-I578 HydrophobicContact SD-CB 4.29Å; M545-I578 HydrophobicContact SD-CG2 3.58Å; M545-I578 VanDerWaalsContact SD-CG2 3.58Å; A574-I578 WeakPolarHBondContact O-CB 3.44Å; A574-I578 VanDerWaalsContact O-CD1 3.31Å; A574-I578 WeakPolarHBondContact O-CD1 3.46Å; A574-I578 WeakPolarHBondContact O-CG1 3.25Å; A574-I578 PolarHBondContact O-N 2.95Å; F575-I578 PolarHBondContact O-N 2.91Å; I578-M580 VanDerWaalsContact C-N 3.34Å; I578-M580 PolarHBondContact O-N 3.3Å; I578-L581 PolarHBondContact O-N 3.33Å; I578-I582 HydrophobicContact CG2-CD1 3.58Å; I578-I582 HydrophobicContact CG2-CG1 4.31Å; I578-I582 WeakPolarHBondContact O-CB 3.43Å; I578-I582 VanDerWaalsContact O-CG1 3.32Å; I578-I582 WeakPolarHBondContact O-CG1 3.49Å; I578-I582 PolarHBondContact O-N 3.4Å; I578-F619 HydrophobicContact CD1-CD1 4.06Å; I578-F619 HydrophobicContact CD1-CE1 4.03Å; I578-I620 HydrophobicContact CD1-CG1 4.16Å; I578-I620 HydrophobicContact CG1-CB 4.09Å; I578-I620 HydrophobicContact CG1-CG1 3.91Å; I578-I620 HydrophobicContact CG1-CG2 3.88Å; I578-A623 HydrophobicContact CD1-CB 3.68Å; I578-A623 HydrophobicContact CG1-CB 4Å; I578-A623 HydrophobicContact CG2-CB 3.95Å
579	D	96.1	Very high	91.1	Very high	8 Å²	8	17.4 Å²	17.4	4%	0.043	10%	0.096	C	C	.	.	H	α-helix	trans	-62.5	-42.7	179.8	-171.8	41.5	0	0	0	111.4	Y365 M545 F575 I576 L581 I582 N583	Y365-D579 WeakPolarHBondContact CE1-OD2 3.46Å; Y365-D579 PolarHBondContact OH-OD2 3.17Å; M545-D579 HydrophobicContact CE-CB 4.28Å; M545-D579 HydrophobicContact SD-CB 4.25Å; F575-D579 PolarHBondContact O-N 3.06Å; I576-D579 PolarHBondContact O-N 3.33Å; D579-L581 PolarHBondContact O-N 3.36Å; D579-I582 PolarHBondContact O-N 2.87Å; D579-N583 VanDerWaalsContact CG-ND2 3.3Å; D579-N583 WeakPolarHBondContact O-CB 3.36Å; D579-N583 PolarHBondContact O-N 2.87Å; D579-N583 PolarHBondContact O-ND2 3.48Å; D579-N583 PolarHBondContact OD1-ND2 3.39Å; D579-N583 PolarHBondContact OD2-ND2 3Å
580	M	94.1	Very high	90.3	Very high	6 Å²	6	18.3 Å²	18.3	3%	0.03	10%	0.101	C	C	.	.	H	α-helix	trans	-55.1	-50.5	172.9	-82.8	-172.8	173.2	0	0	112.4	I302 S303 W304 Y365 I576 V577 I578 N583 Y584 V603	I302-M580 HydrophobicContact CG2-CE 3.72Å; S303-M580 WeakPolarHBondContact O-CE 3.26Å; W304-M580 HydrophobicContact CE3-CB 3.72Å; W304-M580 HydrophobicContact CE3-CG 3.92Å; W304-M580 HydrophobicContact CE3-SD 4.07Å; W304-M580 HydrophobicContact CZ3-CB 3.73Å; W304-M580 HydrophobicContact CZ3-CG 4.43Å; Y365-M580 HydrophobicContact CD2-CE 3.95Å; Y365-M580 HydrophobicContact CE2-CE 3.62Å; Y365-M580 HydrophobicContact CE2-CG 3.9Å; I576-M580 HydrophobicContact CG2-CE 3.86Å; I576-M580 HydrophobicContact CG2-CG 4.29Å; I576-M580 HydrophobicContact CG2-SD 4.03Å; I576-M580 VanDerWaalsContact O-CB 3.27Å; I576-M580 WeakPolarHBondContact O-CB 3.45Å; I576-M580 VanDerWaalsContact O-CG 3.25Å; I576-M580 WeakPolarHBondContact O-CG 3.47Å; I576-M580 PolarHBondContact O-N 3.47Å; V577-M580 WeakPolarHBondContact O-CB 3.42Å; V577-M580 PolarHBondContact O-N 3.43Å; I578-M580 VanDerWaalsContact C-N 3.34Å; I578-M580 PolarHBondContact O-N 3.3Å; M580-N583 PolarHBondContact O-N 3.03Å; M580-Y584 WeakPolarHBondContact O-CB 3.41Å; M580-Y584 PolarHBondContact O-N 3.26Å; M580-V603 HydrophobicContact CE-CG2 4.16Å; M580-V603 HydrophobicContact SD-CG2 3.74Å
581	L	95.1	Very high	89.3	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-65.3	-42.7	-180	-70.8	165.1	0	0	0	112.3	V577 I578 D579 N583 Y584 I585 I594 I596 T599 I620 V624	V577-L581 HydrophobicContact CG1-CD1 3.75Å; V577-L581 HydrophobicContact CG1-CG 4.4Å; V577-L581 WeakPolarHBondContact O-CB 3.37Å; V577-L581 WeakPolarHBondContact O-CD1 3.09Å; V577-L581 VanDerWaalsContact O-CG 3.25Å; V577-L581 WeakPolarHBondContact O-CG 3.35Å; V577-L581 PolarHBondContact O-N 3.29Å; I578-L581 PolarHBondContact O-N 3.33Å; D579-L581 PolarHBondContact O-N 3.36Å; L581-N583 PolarHBondContact O-N 2.8Å; L581-Y584 WeakPolarHBondContact O-CB 3.48Å; L581-Y584 PolarHBondContact O-N 2.82Å; L581-I585 VanDerWaalsContact O-CG1 3.25Å; L581-I585 WeakPolarHBondContact O-CG1 3.4Å; L581-I585 PolarHBondContact O-N 3.37Å; L581-I594 HydrophobicContact CD2-CB 4.18Å; L581-I594 HydrophobicContact CD2-CG2 4.26Å; L581-I596 HydrophobicContact CD1-CD1 4.43Å; L581-I596 HydrophobicContact CD1-CG1 3.83Å; L581-T599 HydrophobicContact CD2-CG2 4.36Å; L581-T599 HydrophobicContact CG-CG2 4.36Å; L581-I620 HydrophobicContact CD1-CG2 3.78Å; L581-V624 HydrophobicContact CB-CG2 4.12Å; L581-V624 HydrophobicContact CD1-CG2 3.93Å
582	I	93.3	Very high	88.4	Confident	7 Å²	7	20.2 Å²	20.2	4%	0.036	11%	0.112	C	C	.	.	H	α-helix	trans	-61.5	-45.6	177.6	-72.6	170.8	0	0	0	110.7	L542 M545 I578 D579 Y584 I585 K586 Y627	L542-I582 HydrophobicContact CD2-CD1 3.34Å; M545-I582 HydrophobicContact SD-CD1 4.26Å; I578-I582 HydrophobicContact CG2-CD1 3.58Å; I578-I582 HydrophobicContact CG2-CG1 4.31Å; I578-I582 WeakPolarHBondContact O-CB 3.43Å; I578-I582 VanDerWaalsContact O-CG1 3.32Å; I578-I582 WeakPolarHBondContact O-CG1 3.49Å; I578-I582 PolarHBondContact O-N 3.4Å; D579-I582 PolarHBondContact O-N 2.87Å; I582-Y584 VanDerWaalsContact C-N 3.31Å; I582-Y584 PolarHBondContact O-N 3.47Å; I582-I585 PolarHBondContact O-N 2.85Å; I582-K586 HydrophobicContact CG2-CD 4.2Å; I582-K586 HydrophobicContact CG2-CG 4.42Å; I582-K586 WeakPolarHBondContact O-CB 3.21Å; I582-K586 WeakPolarHBondContact O-CG 3.19Å; I582-K586 PolarHBondContact O-N 3.01Å; I582-Y627 HydrophobicContact CD1-CD2 4.24Å; I582-Y627 HydrophobicContact CD1-CG 4.25Å; I582-Y627 HydrophobicContact CG1-CD1 4.15Å; I582-Y627 HydrophobicContact CG1-CD2 4.25Å; I582-Y627 HydrophobicContact CG1-CG 3.95Å; I582-Y627 HydrophobicContact CG2-CD1 4.37Å; I582-Y627 HydrophobicContact CG2-CD2 4.01Å; I582-Y627 HydrophobicContact CG2-CE1 4.07Å; I582-Y627 HydrophobicContact CG2-CE2 3.69Å; I582-Y627 HydrophobicContact CG2-CG 4.35Å
583	N	89.3	Confident	87.8	Confident	19 Å²	19	20.6 Å²	20.6	10%	0.102	11%	0.114	C	C	.	.	H	α-helix	trans	-66.2	-34.3	178.4	-71.1	-56.1	0	0	0	112.3	R364 D579 M580 L581 T587	R364-N583 VanDerWaalsContact NH1-CG 3.3Å; R364-N583 PolarHBondContact NH1-ND2 2.67Å; D579-N583 VanDerWaalsContact CG-ND2 3.3Å; D579-N583 WeakPolarHBondContact O-CB 3.36Å; D579-N583 PolarHBondContact O-N 2.87Å; D579-N583 PolarHBondContact O-ND2 3.48Å; D579-N583 PolarHBondContact OD1-ND2 3.39Å; D579-N583 PolarHBondContact OD2-ND2 3Å; M580-N583 PolarHBondContact O-N 3.03Å; L581-N583 PolarHBondContact O-N 2.8Å; N583-T587 WeakPolarHBondContact O-CB 3.49Å; N583-T587 PolarHBondContact O-N 3.21Å; N583-T587 VanDerWaalsContact O-N 3.11Å; N583-T587 PolarHBondContact O-OG1 3.16Å
584	Y	86	Confident	87.4	Confident	4 Å²	4	20.6 Å²	20.6	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-62.7	-48.3	171	-176.7	-95.7	0	0	0	111.4	W304 T309 L312 F358 M580 L581 I582 K586 T587 M588 C592 D593 I594	W304-Y584 AromaticContact CH2-CD2 3.75Å; W304-Y584 HydrophobicContact CH2-CD2 3.75Å; W304-Y584 AromaticContact CH2-CG 3.86Å; W304-Y584 HydrophobicContact CH2-CG 3.86Å; W304-Y584 AromaticContact CZ2-CD2 3.48Å; W304-Y584 HydrophobicContact CZ2-CD2 3.48Å; W304-Y584 VanDerWaalsContact CZ2-CD2 3.48Å; W304-Y584 HydrophobicContact CZ2-CE2 4.04Å; W304-Y584 HydrophobicContact CZ2-CG 4.09Å; T309-Y584 HydrophobicContact CG2-CE2 4.4Å; L312-Y584 WeakPolarHBondContact CB-OH 3.49Å; L312-Y584 HydrophobicContact CD1-CE1 4.09Å; L312-Y584 HydrophobicContact CD1-CE2 4.26Å; F358-Y584 AromaticContact CZ-CD2 3.79Å; F358-Y584 HydrophobicContact CZ-CD2 3.79Å; F358-Y584 HydrophobicContact CZ-CE2 4.43Å; M580-Y584 WeakPolarHBondContact O-CB 3.41Å; M580-Y584 PolarHBondContact O-N 3.26Å; L581-Y584 WeakPolarHBondContact O-CB 3.48Å; L581-Y584 PolarHBondContact O-N 2.82Å; I582-Y584 VanDerWaalsContact C-N 3.31Å; I582-Y584 PolarHBondContact O-N 3.47Å; Y584-K586 PolarHBondContact O-N 3.1Å; Y584-T587 PolarHBondContact O-N 3.29Å; Y584-M588 HydrophobicContact CD1-CG 4.27Å; Y584-M588 HydrophobicContact CD2-CG 4.1Å; Y584-M588 HydrophobicContact CE1-CB 4.31Å; Y584-M588 HydrophobicContact CE1-CG 3.92Å; Y584-M588 HydrophobicContact CE2-CG 3.74Å; Y584-M588 HydrophobicContact CG-CG 4.34Å; Y584-M588 WeakPolarHBondContact O-CB 3.41Å; Y584-M588 WeakPolarHBondContact O-CG 3.39Å; Y584-M588 PolarHBondContact O-N 3.29Å; Y584-C592 HydrophobicContact CE1-CB 4.04Å; Y584-D593 WeakPolarHBondContact CE1-O 3.36Å; Y584-I594 HydrophobicContact CD1-CG2 3.81Å; Y584-I594 HydrophobicContact CE1-CG2 4.03Å
585	I	85.9	Confident	87.2	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-63.6	-41	178.3	-65.5	164.3	0	0	0	111.5	V216 L581 I582 T587 M588 G589 L590 I594 V624 Y627 V628	V216-I585 HydrophobicContact CG1-CD1 3.89Å; V216-I585 HydrophobicContact CG1-CG1 4.14Å; V216-I585 HydrophobicContact CG1-CG2 4.24Å; V216-I585 HydrophobicContact CG2-CD1 4.07Å; V216-I585 HydrophobicContact CG2-CG1 3.93Å; L581-I585 VanDerWaalsContact O-CG1 3.25Å; L581-I585 WeakPolarHBondContact O-CG1 3.4Å; L581-I585 PolarHBondContact O-N 3.37Å; I582-I585 PolarHBondContact O-N 2.85Å; I585-T587 VanDerWaalsContact C-N 3.27Å; I585-T587 PolarHBondContact O-N 2.79Å; I585-M588 PolarHBondContact O-N 2.94Å; I585-G589 CarbonylContact O-C 3.36Å; I585-G589 VanDerWaalsContact O-CA 3.3Å; I585-G589 WeakPolarHBondContact O-CA 3.18Å; I585-G589 PolarHBondContact O-N 2.87Å; I585-L590 HydrophobicContact CG2-CD2 4.01Å; I585-I594 HydrophobicContact CG1-CG2 4.29Å; I585-V624 HydrophobicContact CD1-CG1 3.65Å; I585-Y627 HydrophobicContact CB-CE1 4.39Å; I585-Y627 HydrophobicContact CG2-CD1 4.5Å; I585-Y627 HydrophobicContact CG2-CE1 4.01Å; I585-V628 HydrophobicContact CD1-CG2 4.3Å
586	K	81.5	Confident	87.1	Confident	96 Å²	96	21.1 Å²	21.1	42%	0.417	12%	0.117	S	C	.	.	H	α-helix	trans	-56.5	-43.8	174.2	-78.2	178.5	176.8	-176.7	0	111.7	I582 Y584 Y627	I582-K586 HydrophobicContact CG2-CD 4.2Å; I582-K586 HydrophobicContact CG2-CG 4.42Å; I582-K586 WeakPolarHBondContact O-CB 3.21Å; I582-K586 WeakPolarHBondContact O-CG 3.19Å; I582-K586 PolarHBondContact O-N 3.01Å; Y584-K586 PolarHBondContact O-N 3.1Å; K586-Y627 WeakPolarHBondContact CE-OH 3.23Å; K586-Y627 WeakPolarHBondContact CG-OH 3.36Å
587	T	76.5	Confident	86.9	Confident	69 Å²	69	21.2 Å²	21.2	42%	0.423	12%	0.118	S	C	.	.	H	α-helix	trans	-73.7	-42	-177.5	-55.8	0	0	0	0	112.3	F357 N583 Y584 I585	F357-T587 HydrophobicContact CD1-CG2 4.46Å; F357-T587 HydrophobicContact CE1-CG2 3.74Å; N583-T587 WeakPolarHBondContact O-CB 3.49Å; N583-T587 PolarHBondContact O-N 3.21Å; N583-T587 VanDerWaalsContact O-N 3.11Å; N583-T587 PolarHBondContact O-OG1 3.16Å; Y584-T587 PolarHBondContact O-N 3.29Å; I585-T587 VanDerWaalsContact C-N 3.27Å; I585-T587 PolarHBondContact O-N 2.79Å
588	M	70.5	Confident	86.6	Confident	90 Å²	90	26.5 Å²	26.5	44%	0.443	14%	0.138	S	C	.	.	H	α-helix	trans	-97	-14.7	-170.6	-60	-60.7	-64.8	0	0	114.1	Y584 I585 C592	Y584-M588 HydrophobicContact CD1-CG 4.27Å; Y584-M588 HydrophobicContact CD2-CG 4.1Å; Y584-M588 HydrophobicContact CE1-CB 4.31Å; Y584-M588 HydrophobicContact CE1-CG 3.92Å; Y584-M588 HydrophobicContact CE2-CG 3.74Å; Y584-M588 HydrophobicContact CG-CG 4.34Å; Y584-M588 WeakPolarHBondContact O-CB 3.41Å; Y584-M588 WeakPolarHBondContact O-CG 3.39Å; Y584-M588 PolarHBondContact O-N 3.29Å; I585-M588 PolarHBondContact O-N 2.94Å; M588-C592 HydrophobicContact CB-CB 3.49Å; M588-C592 VanDerWaalsContact CB-CB 3.49Å; M588-C592 HydrophobicContact CG-CB 4.46Å
589	G	71.9	Confident	86.5	Confident	34 Å²	34	26.5 Å²	26.5	35%	0.351	14%	0.138	S	C	.	.			trans	85.3	171.3	-175.3	0	0	0	0	0	114.1	I585 N591 C592	I585-G589 CarbonylContact O-C 3.36Å; I585-G589 VanDerWaalsContact O-CA 3.3Å; I585-G589 WeakPolarHBondContact O-CA 3.18Å; I585-G589 PolarHBondContact O-N 2.87Å; G589-N591 PolarHBondContact O-N 2.87Å; G589-C592 PolarHBondContact O-N 3.28Å; G589-C592 PolarHBondContact O-SG 3.24Å
590	L	80.5	Confident	86.4	Confident	28 Å²	28	26.1 Å²	26.1	15%	0.147	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.3	-174.2	-67.3	179.4	0	0	0	115	V216 S217 I585 V628 M631 S632 I635	V216-L590 WeakPolarHBondContact CB-O 3.43Å; S217-L590 PolarHBondContact N-O 3.39Å; I585-L590 HydrophobicContact CG2-CD2 4.01Å; L590-V628 HydrophobicContact CD2-CG1 4.24Å; L590-V628 HydrophobicContact CD2-CG2 4.41Å; L590-M631 HydrophobicContact CD1-CG 4.18Å; L590-M631 HydrophobicContact CD2-CB 4.18Å; L590-M631 HydrophobicContact CD2-CG 4.09Å; L590-M631 HydrophobicContact CG-CG 4.31Å; L590-S632 WeakPolarHBondContact CD1-OG 3.5Å; L590-I635 HydrophobicContact CD1-CD1 3.64Å; L590-I635 HydrophobicContact CG-CD1 4.41Å
591	N	73.8	Confident	86.3	Confident	48 Å²	48	27.3 Å²	27.3	26%	0.257	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	3.6	179.7	-62.6	-25.6	0	0	0	112.2	P103 I105 N215 G589	P103-N591 PolarHBondContact O-ND2 2.9Å; I105-N591 HydrophobicContact CB-CB 4.21Å; I105-N591 HydrophobicContact CD1-CB 3.76Å; I105-N591 WeakPolarHBondContact CD1-O 3.49Å; I105-N591 HydrophobicContact CG1-CB 4.12Å; N215-N591 PolarHBondContact ND2-O 3.19Å; G589-N591 PolarHBondContact O-N 2.87Å
592	C	77.7	Confident	86.2	Confident	9 Å²	9	27.7 Å²	27.7	6%	0.061	14%	0.144	C	C	.	.			trans	-71.7	160.5	178.2	73.8	0	0	0	0	112	N215 V216 Y584 M588 G589	N215-C592 PolarHBondContact ND2-O 3.19Å; V216-C592 WeakPolarHBondContact CB-O 3.42Å; V216-C592 VanDerWaalsContact CG2-O 3.26Å; V216-C592 WeakPolarHBondContact CG2-O 3.38Å; V216-C592 PolarHBondContact N-O 2.85Å; Y584-C592 HydrophobicContact CE1-CB 4.04Å; M588-C592 HydrophobicContact CB-CB 3.49Å; M588-C592 VanDerWaalsContact CB-CB 3.49Å; M588-C592 HydrophobicContact CG-CB 4.46Å; G589-C592 PolarHBondContact O-N 3.28Å; G589-C592 PolarHBondContact O-SG 3.24Å
593	D	84.1	Confident	86.2	Confident	8 Å²	8	27.3 Å²	27.3	4%	0.043	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	144.4	170.9	-60.9	-29	0	0	0	109.8	R7 R213 F214 N215 L312 Y584	R7-D593 IonicContact CZ-OD2 2.71Å; R7-D593 VanDerWaalsContact CZ-OD2 3.31Å; R7-D593 IonicContact NE-OD2 2.8Å; R7-D593 IonicContact NH1-OD1 3.16Å; R7-D593 PolarHBondContact NH1-OD1 3.39Å; R7-D593 IonicContact NH1-OD2 3.99Å; R7-D593 PolarHBondContact NH1-OD2 2.65Å; R213-D593 HydrophobicContact CG-CB 4.28Å; R213-D593 IonicContact CZ-OD2 2.66Å; R213-D593 IonicContact NE-OD2 2.73Å; R213-D593 PolarHBondContact NE-OD2 2.9Å; R213-D593 IonicContact NH2-OD2 3.35Å; R213-D593 PolarHBondContact NH2-OD2 2.82Å; F214-D593 WeakPolarHBondContact O-CA 3.41Å; N215-D593 WeakPolarHBondContact CA-OD1 3.32Å; N215-D593 PolarHBondContact ND2-OD1 3.24Å; L312-D593 HydrophobicContact CD2-CB 4.5Å; Y584-D593 WeakPolarHBondContact CE1-O 3.36Å
594	I	91.1	Very high	86.4	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	161.2	173.6	59.5	168.6	0	0	0	110.4	R213 F214 V216 L581 Y584 I585 I596 V624	R213-I594 WeakPolarHBondContact CA-O 3.29Å; F214-I594 HydrophobicContact CE1-CD1 4.3Å; F214-I594 HydrophobicContact CE1-CG1 4.12Å; F214-I594 HydrophobicContact CE2-CD1 4.13Å; F214-I594 HydrophobicContact CE2-CG1 4.15Å; F214-I594 HydrophobicContact CZ-CD1 3.68Å; F214-I594 HydrophobicContact CZ-CG1 3.85Å; F214-I594 PolarHBondContact N-O 3.03Å; F214-I594 PolarHBondContact O-N 2.78Å; V216-I594 HydrophobicContact CG2-CB 4.07Å; V216-I594 HydrophobicContact CG2-CD1 3.81Å; V216-I594 HydrophobicContact CG2-CG1 3.61Å; V216-I594 HydrophobicContact CG2-CG2 3.45Å; V216-I594 VanDerWaalsContact CG2-CG2 3.45Å; L581-I594 HydrophobicContact CD2-CB 4.18Å; L581-I594 HydrophobicContact CD2-CG2 4.26Å; Y584-I594 HydrophobicContact CD1-CG2 3.81Å; Y584-I594 HydrophobicContact CE1-CG2 4.03Å; I585-I594 HydrophobicContact CG1-CG2 4.29Å; I594-I596 HydrophobicContact CD1-CD1 4.37Å; I594-I596 HydrophobicContact CD1-CG1 4.22Å; I594-V624 HydrophobicContact CD1-CG1 4.02Å
595	D	92.8	Very high	86.7	Confident	13 Å²	13	31.2 Å²	31.2	7%	0.07	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	97.7	173.9	-171.6	-22.3	0	0	0	108.8	T212 R213 L312 S597 R598 T599	T212-D595 WeakPolarHBondContact CB-OD1 3.26Å; T212-D595 VanDerWaalsContact OG1-CG 3.24Å; T212-D595 PolarHBondContact OG1-OD1 2.7Å; T212-D595 PolarHBondContact OG1-OD2 2.97Å; T212-D595 VanDerWaalsContact OG1-OD2 3.11Å; R213-D595 HydrophobicContact CB-CB 4.29Å; L312-D595 HydrophobicContact CD2-CB 4.18Å; D595-S597 PolarHBondContact OD1-N 3.39Å; D595-R598 HydrophobicContact CB-CB 3.94Å; D595-R598 WeakPolarHBondContact OD1-CB 3.49Å; D595-R598 PolarHBondContact OD1-N 2.88Å; D595-R598 WeakPolarHBondContact OD2-CB 3.44Å; D595-T599 WeakPolarHBondContact O-CB 3.27Å; D595-T599 PolarHBondContact O-N 3Å; D595-T599 PolarHBondContact O-OG1 3.35Å
596	I	95.7	Very high	87.1	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-42.7	-175.6	-65.5	179.2	0	0	0	110.3	F214 L581 I594 T599 I600 Y617 I620 Y621	F214-I596 HydrophobicContact CE1-CD1 4.35Å; F214-I596 HydrophobicContact CE1-CG1 4.46Å; F214-I596 HydrophobicContact CZ-CD1 4.21Å; L581-I596 HydrophobicContact CD1-CD1 4.43Å; L581-I596 HydrophobicContact CD1-CG1 3.83Å; I594-I596 HydrophobicContact CD1-CD1 4.37Å; I594-I596 HydrophobicContact CD1-CG1 4.22Å; I596-T599 PolarHBondContact O-N 2.71Å; I596-I600 HydrophobicContact CG2-CD1 3.98Å; I596-I600 VanDerWaalsContact O-CG1 3.32Å; I596-I600 WeakPolarHBondContact O-CG1 3.44Å; I596-I600 PolarHBondContact O-N 3.45Å; I596-Y617 HydrophobicContact CG2-CE2 4.13Å; I596-I620 HydrophobicContact CD1-CG2 4.33Å; I596-I620 HydrophobicContact CG2-CB 4.36Å; I596-I620 HydrophobicContact CG2-CG2 3.75Å; I596-Y621 HydrophobicContact CB-CE2 3.95Å; I596-Y621 HydrophobicContact CD1-CD1 3.66Å; I596-Y621 HydrophobicContact CD1-CD2 3.62Å; I596-Y621 HydrophobicContact CD1-CE1 3.73Å; I596-Y621 HydrophobicContact CD1-CE2 3.71Å; I596-Y621 HydrophobicContact CD1-CG 3.63Å; I596-Y621 HydrophobicContact CG1-CE2 4.37Å; I596-Y621 HydrophobicContact CG2-CD2 4.2Å; I596-Y621 HydrophobicContact CG2-CE2 3.91Å
597	S	94	Very high	87.8	Confident	3 Å²	3	27.4 Å²	27.4	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-58	-53.7	177.9	-173.6	0	0	0	0	110.5	L246 D595 T599 I600 Q601	L246-S597 VanDerWaalsContact CD2-OG 3.23Å; L246-S597 WeakPolarHBondContact CD2-OG 3.26Å; D595-S597 PolarHBondContact OD1-N 3.39Å; S597-T599 VanDerWaalsContact C-N 3.32Å; S597-T599 PolarHBondContact O-N 3.17Å; S597-I600 WeakPolarHBondContact O-CB 3.25Å; S597-I600 PolarHBondContact O-N 2.69Å; S597-Q601 WeakPolarHBondContact O-CG 3.39Å; S597-Q601 PolarHBondContact O-N 3.15Å
598	R	91.6	Very high	88.6	Confident	111 Å²	111	24.8 Å²	24.8	42%	0.419	13%	0.127	S	C	.	.	H	α-helix	trans	-67	-31.5	-179.1	-162	175	179.3	174.5	0.7	113.6	L308 S311 D595 I600 Q601 A602	L308-R598 HydrophobicContact CD1-CB 3.98Å; L308-R598 HydrophobicContact CD1-CG 3.71Å; S311-R598 VanDerWaalsContact CB-NH1 3.35Å; S311-R598 PolarHBondContact OG-NH1 3.08Å; D595-R598 HydrophobicContact CB-CB 3.94Å; D595-R598 WeakPolarHBondContact OD1-CB 3.49Å; D595-R598 PolarHBondContact OD1-N 2.88Å; D595-R598 WeakPolarHBondContact OD2-CB 3.44Å; R598-I600 VanDerWaalsContact C-N 3.33Å; R598-Q601 PolarHBondContact O-N 2.68Å; R598-A602 WeakPolarHBondContact O-CB 3.35Å; R598-A602 PolarHBondContact O-N 2.73Å
599	T	94.5	Very high	89.6	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.8	-43.1	171.3	-54.2	0	0	0	0	110.8	W304 L308 V577 L581 D595 I596 S597 A602 V603	W304-T599 HydrophobicContact CZ3-CG2 4.45Å; L308-T599 HydrophobicContact CD2-CG2 4.4Å; L308-T599 WeakPolarHBondContact CD2-OG1 3.49Å; V577-T599 HydrophobicContact CG1-CG2 3.97Å; L581-T599 HydrophobicContact CD2-CG2 4.36Å; L581-T599 HydrophobicContact CG-CG2 4.36Å; D595-T599 WeakPolarHBondContact O-CB 3.27Å; D595-T599 PolarHBondContact O-N 3Å; D595-T599 PolarHBondContact O-OG1 3.35Å; I596-T599 PolarHBondContact O-N 2.71Å; S597-T599 VanDerWaalsContact C-N 3.32Å; S597-T599 PolarHBondContact O-N 3.17Å; T599-A602 PolarHBondContact O-N 2.89Å; T599-V603 WeakPolarHBondContact O-CG2 3.31Å; T599-V603 PolarHBondContact O-N 3.47Å; T599-V603 VanDerWaalsContact O-N 3.13Å
600	I	95.4	Very high	90.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67	-42.8	176.9	-66.4	166.7	0	0	0	111	L246 V577 I596 S597 R598 A602 V603 R604 V611 Y617 I620	L246-I600 HydrophobicContact CD1-CB 4.47Å; L246-I600 HydrophobicContact CD1-CD1 4.4Å; L246-I600 HydrophobicContact CD1-CG2 4.05Å; L246-I600 HydrophobicContact CD2-CG2 4.47Å; V577-I600 HydrophobicContact CB-CG1 4.46Å; V577-I600 HydrophobicContact CG1-CG1 3.91Å; V577-I600 HydrophobicContact CG2-CG1 3.93Å; I596-I600 HydrophobicContact CG2-CD1 3.98Å; I596-I600 VanDerWaalsContact O-CG1 3.32Å; I596-I600 WeakPolarHBondContact O-CG1 3.44Å; I596-I600 PolarHBondContact O-N 3.45Å; S597-I600 WeakPolarHBondContact O-CB 3.25Å; S597-I600 PolarHBondContact O-N 2.69Å; R598-I600 VanDerWaalsContact C-N 3.33Å; I600-A602 VanDerWaalsContact C-N 3.33Å; I600-A602 PolarHBondContact O-N 3.44Å; I600-V603 PolarHBondContact O-N 3.4Å; I600-R604 HydrophobicContact CG2-CG 4.19Å; I600-R604 WeakPolarHBondContact O-CB 3.4Å; I600-R604 WeakPolarHBondContact O-CG 3.31Å; I600-R604 PolarHBondContact O-N 3.46Å; I600-V611 HydrophobicContact CD1-CB 4.43Å; I600-V611 HydrophobicContact CD1-CG1 4.39Å; I600-V611 HydrophobicContact CD1-CG2 4.14Å; I600-V611 HydrophobicContact CG1-CG2 4.1Å; I600-V611 HydrophobicContact CG2-CB 4.16Å; I600-V611 HydrophobicContact CG2-CG2 4.19Å; I600-Y617 HydrophobicContact CD1-CD2 3.38Å; I600-Y617 HydrophobicContact CD1-CE2 3.6Å; I600-I620 HydrophobicContact CD1-CD1 3.7Å; I600-I620 HydrophobicContact CG1-CD1 4.27Å
601	Q	92.3	Very high	91.5	Very high	31 Å²	31	18.9 Å²	18.9	15%	0.145	10%	0.097	C	C	.	.	H	α-helix	trans	-55.2	-49.8	175.5	-66.3	167.1	-2.8	0	0	110.9	L246 E249 S597 R598 V603 R604 E605	L246-Q601 HydrophobicContact CD2-CG 3.42Å; L246-Q601 VanDerWaalsContact CD2-CG 3.42Å; E249-Q601 VanDerWaalsContact CD-CD 3.46Å; E249-Q601 PolarHBondContact OE1-NE2 3.35Å; E249-Q601 WeakPolarHBondContact OE2-CG 3.39Å; E249-Q601 PolarHBondContact OE2-NE2 3.18Å; E249-Q601 PolarHBondContact OE2-OE1 3.3Å; S597-Q601 WeakPolarHBondContact O-CG 3.39Å; S597-Q601 PolarHBondContact O-N 3.15Å; R598-Q601 PolarHBondContact O-N 2.68Å; Q601-V603 VanDerWaalsContact C-N 3.29Å; Q601-V603 PolarHBondContact O-N 3.08Å; Q601-R604 CarbonylContact O-C 3.59Å; Q601-R604 WeakPolarHBondContact O-CA 3.5Å; Q601-R604 WeakPolarHBondContact O-CB 3.38Å; Q601-R604 PolarHBondContact O-N 2.74Å; Q601-E605 WeakPolarHBondContact O-CG 3.46Å; Q601-E605 PolarHBondContact O-N 2.66Å
602	A	91.4	Very high	92.5	Very high	8 Å²	8	21 Å²	21	7%	0.066	11%	0.105	C	C	.	.	H	α-helix	trans	-62.9	-31.8	179.2	0	0	0	0	0	114	P305 R598 T599 I600 Q606	P305-A602 HydrophobicContact CB-CB 3.6Å; P305-A602 HydrophobicContact CG-CB 3.49Å; P305-A602 VanDerWaalsContact CG-CB 3.49Å; R598-A602 WeakPolarHBondContact O-CB 3.35Å; R598-A602 PolarHBondContact O-N 2.73Å; T599-A602 PolarHBondContact O-N 2.89Å; I600-A602 VanDerWaalsContact C-N 3.33Å; I600-A602 PolarHBondContact O-N 3.44Å; A602-Q606 PolarHBondContact O-NE2 3.35Å; A602-Q606 VanDerWaalsContact O-NE2 3.07Å
603	V	93.9	Very high	93.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-76.1	-35	172.3	175.6	0	0	0	0	110.8	I302 V577 M580 T599 I600 Q601 E605 Q606 R607 M610	I302-V603 HydrophobicContact CG2-CG1 4.08Å; I302-V603 HydrophobicContact CG2-CG2 4.33Å; V577-V603 HydrophobicContact CG2-CB 4.38Å; V577-V603 HydrophobicContact CG2-CG2 4.09Å; M580-V603 HydrophobicContact CE-CG2 4.16Å; M580-V603 HydrophobicContact SD-CG2 3.74Å; T599-V603 WeakPolarHBondContact O-CG2 3.31Å; T599-V603 PolarHBondContact O-N 3.47Å; T599-V603 VanDerWaalsContact O-N 3.13Å; I600-V603 PolarHBondContact O-N 3.4Å; Q601-V603 VanDerWaalsContact C-N 3.29Å; Q601-V603 PolarHBondContact O-N 3.08Å; V603-E605 VanDerWaalsContact C-N 3.29Å; V603-E605 PolarHBondContact O-N 3.23Å; V603-Q606 PolarHBondContact O-N 2.76Å; V603-Q606 VanDerWaalsContact O-N 3.15Å; V603-R607 PolarHBondContact O-N 3.08Å; V603-M610 HydrophobicContact CG1-CB 3.87Å; V603-M610 HydrophobicContact CG1-CE 3.4Å; V603-M610 HydrophobicContact CG1-CG 3.79Å; V603-M610 HydrophobicContact CG1-SD 4.47Å
604	R	94.3	Very high	93.7	Very high	16 Å²	16	26 Å²	26	6%	0.06	13%	0.131	C	C	.	.	H	α-helix	trans	-65.8	-28.2	174	-78.2	-179.5	172.3	-161.8	-0.8	113.3	L246 V252 F277 I600 Q601 Q606 R607 M610 V611	L246-R604 PolarHBondContact O-NH1 3.02Å; V252-R604 HydrophobicContact CG2-CB 4.36Å; F277-R604 VanDerWaalsContact CE2-O 3.3Å; F277-R604 WeakPolarHBondContact CE2-O 3.46Å; I600-R604 HydrophobicContact CG2-CG 4.19Å; I600-R604 WeakPolarHBondContact O-CB 3.4Å; I600-R604 WeakPolarHBondContact O-CG 3.31Å; I600-R604 PolarHBondContact O-N 3.46Å; Q601-R604 CarbonylContact O-C 3.59Å; Q601-R604 WeakPolarHBondContact O-CA 3.5Å; Q601-R604 WeakPolarHBondContact O-CB 3.38Å; Q601-R604 PolarHBondContact O-N 2.74Å; R604-Q606 VanDerWaalsContact C-N 3.27Å; R604-R607 VanDerWaalsContact CA-O 3.31Å; R604-R607 WeakPolarHBondContact CA-O 3.42Å; R604-R607 CarbonylContact O-C 3.56Å; R604-M610 HydrophobicContact CG-CB 3.99Å; R604-M610 PolarHBondContact NE-O 2.75Å; R604-V611 PolarHBondContact NH2-O 3.43Å
605	E	92	Very high	93.9	Very high	88 Å²	88	29.3 Å²	29.3	41%	0.411	15%	0.152	S	C	.	.	H	α-helix	trans	-65.5	-30.9	172.5	-73.2	171	178.3	0	0	112.1	N255 F277 W279 Q601 V603	N255-E605 PolarHBondContact ND2-O 3.34Å; F277-E605 VanDerWaalsContact CD2-O 3.28Å; F277-E605 WeakPolarHBondContact CD2-O 3.4Å; F277-E605 WeakPolarHBondContact CE2-O 3.33Å; W279-E605 VanDerWaalsContact CZ2-O 3.31Å; W279-E605 WeakPolarHBondContact CZ2-O 3.29Å; Q601-E605 WeakPolarHBondContact O-CG 3.46Å; Q601-E605 PolarHBondContact O-N 2.66Å; V603-E605 VanDerWaalsContact C-N 3.29Å; V603-E605 PolarHBondContact O-N 3.23Å
606	Q	93.7	Very high	94	Very high	19 Å²	19	29.5 Å²	29.5	9%	0.089	15%	0.152	C	C	.	.	H	α-helix	trans	-92.4	-28.7	-177.9	-63.3	175.3	75.8	0	0	113.1	F277 W279 S280 N300 I302 S303 A602 V603 R604	F277-Q606 WeakPolarHBondContact CD2-O 3.32Å; W279-Q606 HydrophobicContact CH2-CG 3.87Å; W279-Q606 HydrophobicContact CZ2-CG 4.18Å; S280-Q606 PolarHBondContact OG-O 3.02Å; N300-Q606 WeakPolarHBondContact CB-O 3.22Å; I302-Q606 HydrophobicContact CD1-CB 3.7Å; S303-Q606 PolarHBondContact O-NE2 2.84Å; S303-Q606 PolarHBondContact O-OE1 3.25Å; A602-Q606 PolarHBondContact O-NE2 3.35Å; A602-Q606 VanDerWaalsContact O-NE2 3.07Å; V603-Q606 PolarHBondContact O-N 2.76Å; V603-Q606 VanDerWaalsContact O-N 3.15Å; R604-Q606 VanDerWaalsContact C-N 3.27Å
607	R	95.3	Very high	94	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	15%	0.152	C	C	.	.	S	Bend	trans	-149.6	123.1	168.9	-177.8	171.4	178.3	79.5	-1.1	109.5	N298 N300 I302 A567 G568 I569 V603 R604 M610	N298-R607 PolarHBondContact OD1-NH1 3.47Å; N298-R607 PolarHBondContact OD1-NH2 3.34Å; N300-R607 HydrophobicContact CB-CB 4.05Å; N300-R607 HydrophobicContact CB-CG 4.42Å; N300-R607 WeakPolarHBondContact OD1-CG 3.45Å; N300-R607 PolarHBondContact OD1-NH1 3.46Å; I302-R607 HydrophobicContact CD1-CB 3.8Å; A567-R607 PolarHBondContact O-NH2 2.87Å; G568-R607 PolarHBondContact O-NE 2.9Å; G568-R607 VanDerWaalsContact O-NE 3.17Å; I569-R607 HydrophobicContact CG2-CG 4.09Å; V603-R607 PolarHBondContact O-N 3.08Å; R604-R607 VanDerWaalsContact CA-O 3.31Å; R604-R607 WeakPolarHBondContact CA-O 3.42Å; R604-R607 CarbonylContact O-C 3.56Å; R607-M610 HydrophobicContact CB-CG 4.13Å; R607-M610 HydrophobicContact CB-SD 4.35Å; R607-M610 HydrophobicContact CG-CG 4.47Å; R607-M610 HydrophobicContact CG-SD 4.32Å; R607-M610 WeakPolarHBondContact O-CG 3.48Å
608	S	93.1	Very high	94.1	Very high	13 Å²	13	32.8 Å²	32.8	9%	0.091	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	146	-174.1	52.4	0	0	0	0	113.9	R257 F277 I569 M610	R257-S608 PolarHBondContact NE-OG 3.41Å; R257-S608 PolarHBondContact NH2-OG 3.49Å; R257-S608 VanDerWaalsContact NH2-OG 3.08Å; F277-S608 VanDerWaalsContact CE2-N 3.34Å; I569-S608 WeakPolarHBondContact CG2-O 3.43Å; S608-M610 VanDerWaalsContact C-N 3.35Å
609	G	93.5	Very high	94.4	Very high	29 Å²	29	27.5 Å²	27.5	30%	0.299	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	15.1	170.2	0	0	0	0	0	114.9	I569 V611 Q612	I569-G609 WeakPolarHBondContact CB-O 3.46Å; G609-V611 PolarHBondContact O-N 3.5Å; G609-Q612 WeakPolarHBondContact O-CG 3.3Å
610	M	96	Very high	94.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.			trans	-60.5	130.1	175.3	-65.6	-74.3	-81.2	0	0	110.1	A367 I569 T572 G573 I576 V603 R604 R607 S608	A367-M610 HydrophobicContact CB-CE 4.22Å; I569-M610 HydrophobicContact CB-SD 4.1Å; I569-M610 HydrophobicContact CG2-SD 4.09Å; I569-M610 CarbonylContact O-C 3.51Å; I569-M610 VanDerWaalsContact O-CA 3.29Å; I569-M610 WeakPolarHBondContact O-CA 3.44Å; T572-M610 HydrophobicContact CG2-CE 4.4Å; G573-M610 VanDerWaalsContact CA-CE 3.43Å; I576-M610 HydrophobicContact CD1-CE 3.95Å; V603-M610 HydrophobicContact CG1-CB 3.87Å; V603-M610 HydrophobicContact CG1-CE 3.4Å; V603-M610 HydrophobicContact CG1-CG 3.79Å; V603-M610 HydrophobicContact CG1-SD 4.47Å; R604-M610 HydrophobicContact CG-CB 3.99Å; R604-M610 PolarHBondContact NE-O 2.75Å; R607-M610 HydrophobicContact CB-CG 4.13Å; R607-M610 HydrophobicContact CB-SD 4.35Å; R607-M610 HydrophobicContact CG-CG 4.47Å; R607-M610 HydrophobicContact CG-SD 4.32Å; R607-M610 WeakPolarHBondContact O-CG 3.48Å; S608-M610 VanDerWaalsContact C-N 3.35Å
611	V	95.9	Very high	94.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	61.5	103.3	-168	-171.9	0	0	0	0	111.3	F243 I569 I600 R604 G609 Q616 I620	F243-V611 HydrophobicContact CE2-CG1 4.42Å; I569-V611 PolarHBondContact O-N 3.39Å; I600-V611 HydrophobicContact CD1-CB 4.43Å; I600-V611 HydrophobicContact CD1-CG1 4.39Å; I600-V611 HydrophobicContact CD1-CG2 4.14Å; I600-V611 HydrophobicContact CG1-CG2 4.1Å; I600-V611 HydrophobicContact CG2-CB 4.16Å; I600-V611 HydrophobicContact CG2-CG2 4.19Å; R604-V611 PolarHBondContact NH2-O 3.43Å; G609-V611 PolarHBondContact O-N 3.5Å; V611-Q616 HydrophobicContact CG1-CB 3.86Å; V611-I620 HydrophobicContact CG1-CD1 4.11Å; V611-I620 HydrophobicContact CG2-CD1 3.74Å
612	Q	93.8	Very high	94.9	Very high	91 Å²	91	29.6 Å²	29.6	43%	0.425	15%	0.153	S	C	.	.			trans	-99.7	-15.2	-165.8	-71.2	-173	-71.7	0	0	115.2	I569 G609	I569-Q612 HydrophobicContact CD1-CG 4.03Å; I569-Q612 VanDerWaalsContact CD1-NE2 3.31Å; I569-Q612 HydrophobicContact CG1-CG 3.98Å; G609-Q612 WeakPolarHBondContact O-CG 3.3Å
613	T	93.7	Very high	95.2	Very high	58 Å²	58	29.2 Å²	29.2	36%	0.356	15%	0.149	S	C	.	.	S	Bend	trans	-138.2	150.1	-173.6	62	0	0	0	0	110.4	T615 Q616 Y617	T613-T615 PolarHBondContact O-N 2.87Å; T613-Q616 WeakPolarHBondContact O-CB 3.43Å; T613-Q616 PolarHBondContact O-N 3.23Å; T613-Q616 VanDerWaalsContact OG1-CG 3.29Å; T613-Q616 WeakPolarHBondContact OG1-CG 3.32Å; T613-Q616 PolarHBondContact OG1-N 3.14Å; T613-Y617 PolarHBondContact O-N 3.37Å
614	E	93.8	Very high	95.4	Very high	65 Å²	65	29.2 Å²	29.2	30%	0.304	15%	0.149	S	C	.	.	H	α-helix	trans	-54.2	-38.5	172.4	-171.4	-146.1	148	0	0	111.2	F239 L240 F243 Q616 Y617 R618	F239-E614 HydrophobicContact CB-CG 4.39Å; L240-E614 HydrophobicContact CD1-CG 4.3Å; F243-E614 HydrophobicContact CB-CB 4.49Å; F243-E614 HydrophobicContact CB-CG 4.34Å; F243-E614 HydrophobicContact CD1-CB 3.84Å; F243-E614 HydrophobicContact CE1-CB 4.33Å; F243-E614 VanDerWaalsContact CE1-N 3.32Å; F243-E614 HydrophobicContact CG-CB 4.16Å; E614-Q616 VanDerWaalsContact C-N 3.29Å; E614-Q616 PolarHBondContact O-N 3.38Å; E614-Y617 WeakPolarHBondContact O-CB 3.28Å; E614-Y617 PolarHBondContact O-N 3.25Å; E614-Y617 VanDerWaalsContact O-N 3.09Å; E614-R618 WeakPolarHBondContact O-CB 3.38Å; E614-R618 PolarHBondContact O-N 2.94Å
615	T	94.6	Very high	95.5	Very high	69 Å²	69	30.7 Å²	30.7	42%	0.423	16%	0.157	S	C	.	.	H	α-helix	trans	-60.9	-37.5	177.2	-45.5	0	0	0	0	112.6	T534 T613 F619	T534-T615 HydrophobicContact CG2-CG2 4.15Å; T613-T615 PolarHBondContact O-N 2.87Å; T615-F619 WeakPolarHBondContact O-CB 3.3Å; T615-F619 PolarHBondContact O-N 3.18Å
616	Q	95.7	Very high	95.8	Very high	17 Å²	17	29.3 Å²	29.3	8%	0.079	15%	0.151	C	C	.	.	H	α-helix	trans	-70.2	-41.2	173.5	-72	166.3	-5.2	0	0	111.3	T534 A574 V611 T613 E614 F619 I620	T534-Q616 HydrophobicContact CG2-CG 4.12Å; A574-Q616 HydrophobicContact CB-CB 4.47Å; V611-Q616 HydrophobicContact CG1-CB 3.86Å; T613-Q616 WeakPolarHBondContact O-CB 3.43Å; T613-Q616 PolarHBondContact O-N 3.23Å; T613-Q616 VanDerWaalsContact OG1-CG 3.29Å; T613-Q616 WeakPolarHBondContact OG1-CG 3.32Å; T613-Q616 PolarHBondContact OG1-N 3.14Å; E614-Q616 VanDerWaalsContact C-N 3.29Å; E614-Q616 PolarHBondContact O-N 3.38Å; Q616-F619 WeakPolarHBondContact O-CB 3.39Å; Q616-F619 PolarHBondContact O-N 3.15Å; Q616-I620 WeakPolarHBondContact O-CG1 3.4Å; Q616-I620 PolarHBondContact O-N 3.38Å; Q616-I620 VanDerWaalsContact O-N 3.1Å
617	Y	96.4	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57	-51.1	175	-177.1	-99.5	0	0	0	111.5	F239 E242 F243 L246 I596 I600 T613 E614 F619 I620 Y621	F239-Y617 AromaticContact CD1-CD1 3.95Å; F239-Y617 HydrophobicContact CD1-CD1 3.95Å; F239-Y617 AromaticContact CD1-CE1 3.98Å; F239-Y617 HydrophobicContact CD1-CE1 3.98Å; E242-Y617 HydrophobicContact CB-CE1 3.94Å; E242-Y617 PolarHBondContact OE2-OH 2.87Å; F243-Y617 HydrophobicContact CB-CD1 4.28Å; F243-Y617 HydrophobicContact CB-CG 4.31Å; F243-Y617 HydrophobicContact CD2-CD2 4.11Å; F243-Y617 AromaticContact CD2-CG 3.94Å; F243-Y617 HydrophobicContact CD2-CG 3.94Å; L246-Y617 HydrophobicContact CD1-CD2 3.91Å; L246-Y617 HydrophobicContact CD1-CE2 3.86Å; I596-Y617 HydrophobicContact CG2-CE2 4.13Å; I600-Y617 HydrophobicContact CD1-CD2 3.38Å; I600-Y617 HydrophobicContact CD1-CE2 3.6Å; T613-Y617 PolarHBondContact O-N 3.37Å; E614-Y617 WeakPolarHBondContact O-CB 3.28Å; E614-Y617 PolarHBondContact O-N 3.25Å; E614-Y617 VanDerWaalsContact O-N 3.09Å; Y617-F619 VanDerWaalsContact C-N 3.27Å; Y617-F619 PolarHBondContact O-N 3.05Å; Y617-I620 WeakPolarHBondContact O-CB 3.44Å; Y617-I620 PolarHBondContact O-N 3.42Å; Y617-I620 VanDerWaalsContact O-N 3.11Å; Y617-Y621 HydrophobicContact CD1-CE2 4.3Å; Y617-Y621 HydrophobicContact CE1-CD2 4.23Å; Y617-Y621 AromaticContact CE1-CE2 3.58Å; Y617-Y621 HydrophobicContact CE1-CE2 3.58Å; Y617-Y621 HydrophobicContact CE2-CE2 4.47Å; Y617-Y621 AromaticContact CZ-CE2 3.67Å; Y617-Y621 PolarHBondContact O-N 3.32Å
618	R	95.6	Very high	95.7	Very high	72 Å²	72	30 Å²	30	27%	0.272	15%	0.153	S	C	.	.	H	α-helix	trans	-60.8	-34.6	175.6	-164.9	177.8	-152.3	-129.1	2.2	113	E227 F239 E614 I620 Y621 K622	E227-R618 IonicContact OE1-CZ 2.66Å; E227-R618 VanDerWaalsContact OE1-CZ 3.31Å; E227-R618 IonicContact OE1-NH1 2.71Å; E227-R618 IonicContact OE1-NH2 3.31Å; E227-R618 PolarHBondContact OE1-NH2 3.02Å; F239-R618 HydrophobicContact CD1-CB 4.24Å; F239-R618 HydrophobicContact CD1-CG 4.11Å; F239-R618 HydrophobicContact CD2-CG 4.17Å; F239-R618 HydrophobicContact CE1-CB 4.48Å; F239-R618 HydrophobicContact CE1-CG 4.08Å; F239-R618 HydrophobicContact CE2-CG 4.13Å; F239-R618 HydrophobicContact CG-CB 4.48Å; F239-R618 HydrophobicContact CG-CG 4.16Å; F239-R618 HydrophobicContact CZ-CG 4.09Å; E614-R618 WeakPolarHBondContact O-CB 3.38Å; E614-R618 PolarHBondContact O-N 2.94Å; R618-I620 VanDerWaalsContact C-N 3.32Å; R618-Y621 WeakPolarHBondContact O-CB 3.36Å; R618-Y621 PolarHBondContact O-N 3.27Å; R618-K622 WeakPolarHBondContact O-CG 3.42Å; R618-K622 PolarHBondContact O-N 3.39Å; R618-K622 VanDerWaalsContact O-N 3.08Å
619	F	97	Very high	95.7	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-68.4	-31.2	177	-177.9	-101.2	0	0	0	112.8	W529 T534 P535 P538 V541 I578 T615 Q616 Y617 Y621 K622 A623	W529-F619 AromaticContact CH2-CD1 3.86Å; W529-F619 HydrophobicContact CH2-CD1 3.86Å; W529-F619 AromaticContact CH2-CE1 3.53Å; W529-F619 HydrophobicContact CH2-CE1 3.53Å; W529-F619 AromaticContact CZ2-CD1 3.9Å; W529-F619 HydrophobicContact CZ2-CD1 3.9Å; W529-F619 AromaticContact CZ2-CE1 3.89Å; W529-F619 HydrophobicContact CZ2-CE1 3.89Å; W529-F619 HydrophobicContact CZ3-CE1 4.19Å; T534-F619 HydrophobicContact CG2-CB 3.59Å; T534-F619 HydrophobicContact CG2-CD1 4.28Å; T534-F619 HydrophobicContact CG2-CD2 4.27Å; T534-F619 HydrophobicContact CG2-CG 3.8Å; P535-F619 HydrophobicContact CB-CE2 4.1Å; P535-F619 HydrophobicContact CB-CZ 4.12Å; P535-F619 HydrophobicContact CG-CE2 4.34Å; P535-F619 HydrophobicContact CG-CZ 3.99Å; P535-F619 VanDerWaalsContact O-CE2 3.26Å; P535-F619 WeakPolarHBondContact O-CE2 3.33Å; P538-F619 HydrophobicContact CB-CE2 4.17Å; P538-F619 HydrophobicContact CB-CZ 4.31Å; P538-F619 HydrophobicContact CG-CE2 4.14Å; V541-F619 HydrophobicContact CB-CZ 4.36Å; V541-F619 HydrophobicContact CG2-CE1 4.09Å; V541-F619 HydrophobicContact CG2-CZ 3.8Å; I578-F619 HydrophobicContact CD1-CD1 4.06Å; I578-F619 HydrophobicContact CD1-CE1 4.03Å; T615-F619 WeakPolarHBondContact O-CB 3.3Å; T615-F619 PolarHBondContact O-N 3.18Å; Q616-F619 WeakPolarHBondContact O-CB 3.39Å; Q616-F619 PolarHBondContact O-N 3.15Å; Y617-F619 VanDerWaalsContact C-N 3.27Å; Y617-F619 PolarHBondContact O-N 3.05Å; F619-Y621 VanDerWaalsContact C-N 3.35Å; F619-K622 PolarHBondContact O-N 3.37Å; F619-A623 WeakPolarHBondContact O-CB 3.4Å; F619-A623 PolarHBondContact O-N 3.35Å
620	I	98.2	Very high	95.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-47.7	172.9	-62.7	163.4	0	0	0	109.7	A574 V577 I578 L581 I596 I600 V611 Q616 Y617 R618 K622 A623 V624	A574-I620 HydrophobicContact CB-CD1 4.39Å; A574-I620 HydrophobicContact CB-CG1 4.22Å; V577-I620 HydrophobicContact CB-CD1 4.27Å; V577-I620 HydrophobicContact CG1-CD1 4.03Å; V577-I620 HydrophobicContact CG1-CG2 3.92Å; I578-I620 HydrophobicContact CD1-CG1 4.16Å; I578-I620 HydrophobicContact CG1-CB 4.09Å; I578-I620 HydrophobicContact CG1-CG1 3.91Å; I578-I620 HydrophobicContact CG1-CG2 3.88Å; L581-I620 HydrophobicContact CD1-CG2 3.78Å; I596-I620 HydrophobicContact CD1-CG2 4.33Å; I596-I620 HydrophobicContact CG2-CB 4.36Å; I596-I620 HydrophobicContact CG2-CG2 3.75Å; I600-I620 HydrophobicContact CD1-CD1 3.7Å; I600-I620 HydrophobicContact CG1-CD1 4.27Å; V611-I620 HydrophobicContact CG1-CD1 4.11Å; V611-I620 HydrophobicContact CG2-CD1 3.74Å; Q616-I620 WeakPolarHBondContact O-CG1 3.4Å; Q616-I620 PolarHBondContact O-N 3.38Å; Q616-I620 VanDerWaalsContact O-N 3.1Å; Y617-I620 WeakPolarHBondContact O-CB 3.44Å; Y617-I620 PolarHBondContact O-N 3.42Å; Y617-I620 VanDerWaalsContact O-N 3.11Å; R618-I620 VanDerWaalsContact C-N 3.32Å; I620-K622 PolarHBondContact O-N 2.77Å; I620-A623 PolarHBondContact O-N 3.21Å; I620-V624 HydrophobicContact CG2-CG2 4.49Å; I620-V624 WeakPolarHBondContact O-CG2 3.44Å; I620-V624 PolarHBondContact O-N 3.48Å
621	Y	97.8	Very high	95.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56	-49.1	173.4	-84.4	-96.6	0	0	0	112.1	F214 R222 M223 L226 F239 E242 I596 Y617 R618 F619 A623 V624 Q625	F214-Y621 AromaticContact CE1-CE1 3.62Å; F214-Y621 HydrophobicContact CE1-CE1 3.62Å; F214-Y621 HydrophobicContact CZ-CD1 4.25Å; F214-Y621 AromaticContact CZ-CE1 3.77Å; F214-Y621 HydrophobicContact CZ-CE1 3.77Å; R222-Y621 HydrophobicContact CG-CE1 4.04Å; M223-Y621 HydrophobicContact CG-CD1 3.98Å; L226-Y621 HydrophobicContact CD1-CE1 3.98Å; L226-Y621 HydrophobicContact CD1-CE2 4.49Å; F239-Y621 HydrophobicContact CD1-CD2 4.3Å; F239-Y621 HydrophobicContact CD1-CE2 4.42Å; F239-Y621 HydrophobicContact CE1-CD1 4.19Å; F239-Y621 AromaticContact CE1-CD2 3.59Å; F239-Y621 HydrophobicContact CE1-CD2 3.59Å; F239-Y621 AromaticContact CE1-CE2 3.93Å; F239-Y621 HydrophobicContact CE1-CE2 3.93Å; F239-Y621 AromaticContact CE1-CG 3.7Å; F239-Y621 HydrophobicContact CE1-CG 3.7Å; F239-Y621 HydrophobicContact CZ-CG 4.31Å; E242-Y621 PolarHBondContact OE2-OH 3.05Å; I596-Y621 HydrophobicContact CB-CE2 3.95Å; I596-Y621 HydrophobicContact CD1-CD1 3.66Å; I596-Y621 HydrophobicContact CD1-CD2 3.62Å; I596-Y621 HydrophobicContact CD1-CE1 3.73Å; I596-Y621 HydrophobicContact CD1-CE2 3.71Å; I596-Y621 HydrophobicContact CD1-CG 3.63Å; I596-Y621 HydrophobicContact CG1-CE2 4.37Å; I596-Y621 HydrophobicContact CG2-CD2 4.2Å; I596-Y621 HydrophobicContact CG2-CE2 3.91Å; Y617-Y621 HydrophobicContact CD1-CE2 4.3Å; Y617-Y621 HydrophobicContact CE1-CD2 4.23Å; Y617-Y621 AromaticContact CE1-CE2 3.58Å; Y617-Y621 HydrophobicContact CE1-CE2 3.58Å; Y617-Y621 HydrophobicContact CE2-CE2 4.47Å; Y617-Y621 AromaticContact CZ-CE2 3.67Å; Y617-Y621 PolarHBondContact O-N 3.32Å; R618-Y621 WeakPolarHBondContact O-CB 3.36Å; R618-Y621 PolarHBondContact O-N 3.27Å; F619-Y621 VanDerWaalsContact C-N 3.35Å; Y621-A623 VanDerWaalsContact C-N 3.33Å; Y621-A623 PolarHBondContact O-N 3.43Å; Y621-V624 PolarHBondContact O-N 3.3Å; Y621-Q625 VanDerWaalsContact O-CB 3.29Å; Y621-Q625 WeakPolarHBondContact O-CB 3.38Å; Y621-Q625 PolarHBondContact O-N 3.01Å
622	K	97.1	Very high	94.6	Very high	74 Å²	74	36.2 Å²	36.2	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-59.3	-40.7	178.1	-71.7	-177	175	-167.3	0	113	M223 P538 R618 F619 I620 Q626	M223-K622 HydrophobicContact CE-CB 4.39Å; M223-K622 HydrophobicContact CE-CG 3.56Å; P538-K622 HydrophobicContact CG-CB 3.94Å; R618-K622 WeakPolarHBondContact O-CG 3.42Å; R618-K622 PolarHBondContact O-N 3.39Å; R618-K622 VanDerWaalsContact O-N 3.08Å; F619-K622 PolarHBondContact O-N 3.37Å; I620-K622 PolarHBondContact O-N 2.77Å; K622-Q626 WeakPolarHBondContact O-CB 3.39Å; K622-Q626 PolarHBondContact O-N 3.1Å
623	A	98.1	Very high	94.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.8	-43.8	178.7	0	0	0	0	0	111.8	P538 L542 I578 F619 I620 Y621 Q626 Y627	P538-A623 HydrophobicContact CB-CB 4.15Å; L542-A623 HydrophobicContact CD2-CB 4.46Å; I578-A623 HydrophobicContact CD1-CB 3.68Å; I578-A623 HydrophobicContact CG1-CB 4Å; I578-A623 HydrophobicContact CG2-CB 3.95Å; F619-A623 WeakPolarHBondContact O-CB 3.4Å; F619-A623 PolarHBondContact O-N 3.35Å; I620-A623 PolarHBondContact O-N 3.21Å; Y621-A623 VanDerWaalsContact C-N 3.33Å; Y621-A623 PolarHBondContact O-N 3.43Å; A623-Q626 PolarHBondContact O-N 3.18Å; A623-Y627 WeakPolarHBondContact O-CB 3.26Å; A623-Y627 PolarHBondContact O-N 3.43Å
624	V	98	Very high	93.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-43.3	175.7	179.1	0	0	0	0	110.6	I219 L581 I585 I594 I620 Y621 Q626 Y627 V628	I219-V624 HydrophobicContact CD1-CB 3.8Å; I219-V624 HydrophobicContact CD1-CG1 3.51Å; L581-V624 HydrophobicContact CB-CG2 4.12Å; L581-V624 HydrophobicContact CD1-CG2 3.93Å; I585-V624 HydrophobicContact CD1-CG1 3.65Å; I594-V624 HydrophobicContact CD1-CG1 4.02Å; I620-V624 HydrophobicContact CG2-CG2 4.49Å; I620-V624 WeakPolarHBondContact O-CG2 3.44Å; I620-V624 PolarHBondContact O-N 3.48Å; Y621-V624 PolarHBondContact O-N 3.3Å; V624-Q626 PolarHBondContact O-N 3.34Å; V624-Y627 WeakPolarHBondContact O-CB 3.45Å; V624-Y627 PolarHBondContact O-N 3.05Å; V624-V628 HydrophobicContact CG1-CG2 4.18Å; V624-V628 WeakPolarHBondContact O-CB 3.31Å; V624-V628 WeakPolarHBondContact O-CG2 3.43Å; V624-V628 PolarHBondContact O-N 2.81Å
625	Q	96.8	Very high	92.7	Very high	47 Å²	47	42 Å²	42	22%	0.22	20%	0.199	C	C	.	.	H	α-helix	trans	-56.7	-49.8	175	178.1	-169.5	46.8	0	0	111.4	I219 D220 M223 Y621 Y627 V628 N629	I219-Q625 HydrophobicContact CD1-CB 4.13Å; I219-Q625 HydrophobicContact CG1-CB 4.25Å; I219-Q625 HydrophobicContact CG2-CB 4.31Å; I219-Q625 HydrophobicContact CG2-CG 4.34Å; D220-Q625 WeakPolarHBondContact OD1-CG 3.49Å; D220-Q625 PolarHBondContact OD1-NE2 3.45Å; M223-Q625 HydrophobicContact SD-CB 3.6Å; M223-Q625 VanDerWaalsContact SD-CB 3.6Å; M223-Q625 HydrophobicContact SD-CG 3.9Å; M223-Q625 PolarHBondContact SD-OE1 3.12Å; M223-Q625 VanDerWaalsContact SD-OE1 3.39Å; Y621-Q625 VanDerWaalsContact O-CB 3.29Å; Y621-Q625 WeakPolarHBondContact O-CB 3.38Å; Y621-Q625 PolarHBondContact O-N 3.01Å; Q625-Y627 VanDerWaalsContact C-N 3.3Å; Q625-Y627 PolarHBondContact O-N 3.29Å; Q625-V628 PolarHBondContact O-N 3.17Å; Q625-N629 WeakPolarHBondContact O-CB 3.48Å; Q625-N629 VanDerWaalsContact O-CG 3.27Å; Q625-N629 PolarHBondContact O-N 2.86Å
626	Q	97	Very high	91.7	Very high	60 Å²	60	44.2 Å²	44.2	28%	0.28	21%	0.205	S	C	.	.	H	α-helix	trans	-61	-40.6	179.3	-178.4	70.1	-17.2	0	0	111.8	P538 S539 L542 K622 A623 V624 T630	P538-Q626 HydrophobicContact CB-CB 4.17Å; P538-Q626 HydrophobicContact CB-CG 4.41Å; P538-Q626 HydrophobicContact CG-CB 4.41Å; S539-Q626 PolarHBondContact OG-NE2 3.4Å; L542-Q626 HydrophobicContact CD1-CB 3.88Å; L542-Q626 HydrophobicContact CD1-CG 3.65Å; K622-Q626 WeakPolarHBondContact O-CB 3.39Å; K622-Q626 PolarHBondContact O-N 3.1Å; A623-Q626 PolarHBondContact O-N 3.18Å; V624-Q626 PolarHBondContact O-N 3.34Å; Q626-T630 WeakPolarHBondContact O-CB 3.21Å; Q626-T630 PolarHBondContact O-N 3.23Å; Q626-T630 PolarHBondContact O-OG1 3.23Å
627	Y	96.3	Very high	90.7	Very high	31 Å²	31	49.2 Å²	49.2	12%	0.122	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-50.6	175.3	178.5	-97.3	0	0	0	111.9	I582 I585 K586 A623 V624 Q625 N629 T630 M631	I582-Y627 HydrophobicContact CD1-CD2 4.24Å; I582-Y627 HydrophobicContact CD1-CG 4.25Å; I582-Y627 HydrophobicContact CG1-CD1 4.15Å; I582-Y627 HydrophobicContact CG1-CD2 4.25Å; I582-Y627 HydrophobicContact CG1-CG 3.95Å; I582-Y627 HydrophobicContact CG2-CD1 4.37Å; I582-Y627 HydrophobicContact CG2-CD2 4.01Å; I582-Y627 HydrophobicContact CG2-CE1 4.07Å; I582-Y627 HydrophobicContact CG2-CE2 3.69Å; I582-Y627 HydrophobicContact CG2-CG 4.35Å; I585-Y627 HydrophobicContact CB-CE1 4.39Å; I585-Y627 HydrophobicContact CG2-CD1 4.5Å; I585-Y627 HydrophobicContact CG2-CE1 4.01Å; K586-Y627 WeakPolarHBondContact CE-OH 3.23Å; K586-Y627 WeakPolarHBondContact CG-OH 3.36Å; A623-Y627 WeakPolarHBondContact O-CB 3.26Å; A623-Y627 PolarHBondContact O-N 3.43Å; V624-Y627 WeakPolarHBondContact O-CB 3.45Å; V624-Y627 PolarHBondContact O-N 3.05Å; Q625-Y627 VanDerWaalsContact C-N 3.3Å; Q625-Y627 PolarHBondContact O-N 3.29Å; Y627-N629 PolarHBondContact O-N 2.8Å; Y627-T630 PolarHBondContact O-N 3.06Å; Y627-M631 WeakPolarHBondContact O-CB 3.27Å; Y627-M631 PolarHBondContact O-N 3.21Å; Y627-M631 VanDerWaalsContact OH-CE 3.28Å; Y627-M631 WeakPolarHBondContact OH-CE 3.33Å
628	V	92.2	Very high	89.4	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-49.8	178.7	168.6	0	0	0	0	110.7	V216 I219 I585 L590 V624 Q625 T630 M631 S632	V216-V628 HydrophobicContact CG1-CB 4.44Å; V216-V628 HydrophobicContact CG1-CG1 4.26Å; V216-V628 HydrophobicContact CG1-CG2 3.3Å; I219-V628 HydrophobicContact CG2-CB 4.29Å; I219-V628 HydrophobicContact CG2-CG1 4.08Å; I585-V628 HydrophobicContact CD1-CG2 4.3Å; L590-V628 HydrophobicContact CD2-CG1 4.24Å; L590-V628 HydrophobicContact CD2-CG2 4.41Å; V624-V628 HydrophobicContact CG1-CG2 4.18Å; V624-V628 WeakPolarHBondContact O-CB 3.31Å; V624-V628 WeakPolarHBondContact O-CG2 3.43Å; V624-V628 PolarHBondContact O-N 2.81Å; Q625-V628 PolarHBondContact O-N 3.17Å; V628-T630 VanDerWaalsContact C-N 3.29Å; V628-T630 PolarHBondContact O-N 3.29Å; V628-M631 PolarHBondContact O-N 2.98Å; V628-M631 VanDerWaalsContact O-N 3.15Å; V628-S632 WeakPolarHBondContact O-CB 3.25Å; V628-S632 PolarHBondContact O-N 3.38Å; V628-S632 PolarHBondContact O-OG 2.93Å; V628-S632 VanDerWaalsContact O-OG 3.07Å
629	N	93.3	Very high	87.9	Confident	39 Å²	39	50 Å²	50	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-36.5	-179.3	-72.4	-13.2	0	0	0	112.1	D220 Q625 Y627 K633	D220-N629 PolarHBondContact OD1-ND2 2.83Å; D220-N629 PolarHBondContact OD2-OD1 2.79Å; Q625-N629 WeakPolarHBondContact O-CB 3.48Å; Q625-N629 VanDerWaalsContact O-CG 3.27Å; Q625-N629 PolarHBondContact O-N 2.86Å; Y627-N629 PolarHBondContact O-N 2.8Å; N629-K633 WeakPolarHBondContact O-CB 3.34Å; N629-K633 VanDerWaalsContact O-CG 3.25Å; N629-K633 WeakPolarHBondContact O-CG 3.46Å; N629-K633 PolarHBondContact O-N 3.36Å; N629-K633 VanDerWaalsContact O-N 3.16Å
630	T	92.4	Very high	86.6	Confident	52 Å²	52	53.7 Å²	53.7	32%	0.319	26%	0.259	S	S	.	.	H	α-helix	trans	-67.1	-44.7	174.4	-59.1	0	0	0	0	111.3	Q626 Y627 V628 K633 R634	Q626-T630 WeakPolarHBondContact O-CB 3.21Å; Q626-T630 PolarHBondContact O-N 3.23Å; Q626-T630 PolarHBondContact O-OG1 3.23Å; Y627-T630 PolarHBondContact O-N 3.06Å; V628-T630 VanDerWaalsContact C-N 3.29Å; V628-T630 PolarHBondContact O-N 3.29Å; T630-K633 PolarHBondContact O-N 3.33Å; T630-R634 WeakPolarHBondContact O-CG 3.29Å; T630-R634 PolarHBondContact O-N 3.11Å; T630-R634 VanDerWaalsContact O-N 3.09Å
631	M	84.6	Confident	85.1	Confident	36 Å²	36	56 Å²	56	18%	0.177	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-45.6	179	-173.7	63.2	95.8	0	0	111.9	L590 Y627 V628 K633 R634 I635	L590-M631 HydrophobicContact CD1-CG 4.18Å; L590-M631 HydrophobicContact CD2-CB 4.18Å; L590-M631 HydrophobicContact CD2-CG 4.09Å; L590-M631 HydrophobicContact CG-CG 4.31Å; Y627-M631 WeakPolarHBondContact O-CB 3.27Å; Y627-M631 PolarHBondContact O-N 3.21Å; Y627-M631 VanDerWaalsContact OH-CE 3.28Å; Y627-M631 WeakPolarHBondContact OH-CE 3.33Å; V628-M631 PolarHBondContact O-N 2.98Å; V628-M631 VanDerWaalsContact O-N 3.15Å; M631-K633 VanDerWaalsContact C-N 3.32Å; M631-K633 PolarHBondContact O-N 3.33Å; M631-R634 WeakPolarHBondContact O-CB 3.37Å; M631-R634 PolarHBondContact O-N 3Å; M631-R634 VanDerWaalsContact O-N 3.11Å; M631-I635 HydrophobicContact CG-CD1 4.05Å; M631-I635 WeakPolarHBondContact O-CG1 3.34Å; M631-I635 PolarHBondContact O-N 3.47Å
632	S	83.7	Confident	83.5	Confident	46 Å²	46	62.5 Å²	62.5	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-55.9	-45.1	175.7	-64.9	0	0	0	0	111.8	L590 V628 I635 Q636	L590-S632 WeakPolarHBondContact CD1-OG 3.5Å; V628-S632 WeakPolarHBondContact O-CB 3.25Å; V628-S632 PolarHBondContact O-N 3.38Å; V628-S632 PolarHBondContact O-OG 2.93Å; V628-S632 VanDerWaalsContact O-OG 3.07Å; S632-I635 PolarHBondContact O-N 2.97Å; S632-Q636 WeakPolarHBondContact O-CB 3.36Å; S632-Q636 PolarHBondContact O-N 3.29Å
633	K	85.5	Confident	81.5	Confident	136 Å²	136	65.4 Å²	65.4	59%	0.591	30%	0.304	S	S	*	.	H	α-helix	trans	-62.8	-41.3	175.9	-74.9	173.2	-175.2	175.9	0	112.4	N629 T630 M631 Q636 M637	N629-K633 WeakPolarHBondContact O-CB 3.34Å; N629-K633 VanDerWaalsContact O-CG 3.25Å; N629-K633 WeakPolarHBondContact O-CG 3.46Å; N629-K633 PolarHBondContact O-N 3.36Å; N629-K633 VanDerWaalsContact O-N 3.16Å; T630-K633 PolarHBondContact O-N 3.33Å; M631-K633 VanDerWaalsContact C-N 3.32Å; M631-K633 PolarHBondContact O-N 3.33Å; K633-Q636 PolarHBondContact O-N 3.26Å; K633-M637 WeakPolarHBondContact O-CB 3.5Å; K633-M637 VanDerWaalsContact O-CG 3.3Å; K633-M637 WeakPolarHBondContact O-CG 3.41Å; K633-M637 PolarHBondContact O-N 3.44Å
634	R	82.6	Confident	79.7	Confident	145 Å²	145	69.4 Å²	69.4	55%	0.547	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-45.5	176.8	-74.1	179.5	-171.8	-175.9	3.6	111.5	T630 M631 M637 D638	T630-R634 WeakPolarHBondContact O-CG 3.29Å; T630-R634 PolarHBondContact O-N 3.11Å; T630-R634 VanDerWaalsContact O-N 3.09Å; M631-R634 WeakPolarHBondContact O-CB 3.37Å; M631-R634 PolarHBondContact O-N 3Å; M631-R634 VanDerWaalsContact O-N 3.11Å; R634-M637 PolarHBondContact O-N 2.81Å; R634-D638 PolarHBondContact O-N 3.29Å
635	I	74	Confident	77.7	Confident	55 Å²	55	72.7 Å²	72.7	28%	0.282	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-45.8	176.8	-67.7	168	0	0	0	110.3	V27 L590 M631 S632 M637 D638 N639	V27-I635 HydrophobicContact CG1-CG2 3.77Å; L590-I635 HydrophobicContact CD1-CD1 3.64Å; L590-I635 HydrophobicContact CG-CD1 4.41Å; M631-I635 HydrophobicContact CG-CD1 4.05Å; M631-I635 WeakPolarHBondContact O-CG1 3.34Å; M631-I635 PolarHBondContact O-N 3.47Å; S632-I635 PolarHBondContact O-N 2.97Å; I635-M637 PolarHBondContact O-N 3.38Å; I635-D638 PolarHBondContact O-N 3.42Å; I635-N639 PolarHBondContact O-N 3.01Å; I635-N639 PolarHBondContact O-ND2 3.15Å
636	Q	72.9	Confident	75.5	Confident	115 Å²	115	78.1 Å²	78.1	54%	0.537	38%	0.381	S	S	.	.	H	α-helix	trans	-58.6	-46	176.8	-174.9	178.2	7.6	0	0	112.1	S632 K633 D638 N639 D640	S632-Q636 WeakPolarHBondContact O-CB 3.36Å; S632-Q636 PolarHBondContact O-N 3.29Å; K633-Q636 PolarHBondContact O-N 3.26Å; Q636-D638 VanDerWaalsContact C-N 3.35Å; Q636-D638 PolarHBondContact O-N 2.92Å; Q636-N639 WeakPolarHBondContact O-CB 3.28Å; Q636-N639 PolarHBondContact O-N 3.42Å; Q636-D640 PolarHBondContact O-N 3.43Å
637	M	74.3	Confident	73.4	Confident	121 Å²	121	80.4 Å²	80.4	60%	0.596	40%	0.396	S	S	*	.	H	α-helix	trans	-63.1	-39.2	177.8	-73.1	179.8	68	0	0	112.7	K633 R634 I635 N639 D640 L641	K633-M637 WeakPolarHBondContact O-CB 3.5Å; K633-M637 VanDerWaalsContact O-CG 3.3Å; K633-M637 WeakPolarHBondContact O-CG 3.41Å; K633-M637 PolarHBondContact O-N 3.44Å; R634-M637 PolarHBondContact O-N 2.81Å; I635-M637 PolarHBondContact O-N 3.38Å; M637-N639 VanDerWaalsContact C-N 3.3Å; M637-N639 PolarHBondContact O-N 3.14Å; M637-D640 PolarHBondContact O-N 3.08Å; M637-L641 WeakPolarHBondContact O-CG 3.47Å; M637-L641 PolarHBondContact O-N 3.02Å
638	D	70.5	Confident	71.2	Confident	53 Å²	53	86.7 Å²	86.7	28%	0.283	42%	0.42	S	S	.	.	H	α-helix	trans	-62.5	-40.1	175.5	-165.4	52	0	0	0	111	R634 I635 Q636 L641 R642	R634-D638 PolarHBondContact O-N 3.29Å; I635-D638 PolarHBondContact O-N 3.42Å; Q636-D638 VanDerWaalsContact C-N 3.35Å; Q636-D638 PolarHBondContact O-N 2.92Å; D638-L641 PolarHBondContact O-N 2.88Å; D638-R642 WeakPolarHBondContact O-CG 3.38Å; D638-R642 PolarHBondContact O-N 3.42Å; D638-R642 VanDerWaalsContact O-N 3.11Å; D638-R642 IonicContact OD2-CZ 2.66Å; D638-R642 IonicContact OD2-NE 3.95Å; D638-R642 PolarHBondContact OD2-NE 2.88Å; D638-R642 IonicContact OD2-NH2 3.82Å; D638-R642 PolarHBondContact OD2-NH2 3.01Å; D638-R642 VanDerWaalsContact OD2-NH2 3.1Å
639	N	64.7	Low	69.4	Low	35 Å²	35	92 Å²	92	19%	0.187	45%	0.452	C	S	.	.	H	α-helix	trans	-63.9	-45.4	175.2	-60.5	-38.4	0	0	0	112.7	V27 I635 Q636 M637 L641 R642 R643	V27-N639 WeakPolarHBondContact CB-OD1 3.26Å; V27-N639 WeakPolarHBondContact CG1-ND2 3.25Å; V27-N639 VanDerWaalsContact CG1-OD1 3.28Å; V27-N639 WeakPolarHBondContact CG1-OD1 3.21Å; I635-N639 PolarHBondContact O-N 3.01Å; I635-N639 PolarHBondContact O-ND2 3.15Å; Q636-N639 WeakPolarHBondContact O-CB 3.28Å; Q636-N639 PolarHBondContact O-N 3.42Å; M637-N639 VanDerWaalsContact C-N 3.3Å; M637-N639 PolarHBondContact O-N 3.14Å; N639-L641 VanDerWaalsContact C-N 3.3Å; N639-L641 PolarHBondContact O-N 3.25Å; N639-R642 PolarHBondContact O-N 3.3Å; N639-R643 PolarHBondContact O-N 3.4Å
640	D	68	Low	67.2	Low	80 Å²	80	97 Å²	97	43%	0.428	48%	0.479	S	S	.	.	H	α-helix	trans	-64.4	-37	-179.4	-70.7	-20.2	0	0	0	111.2	Q636 M637 R643	Q636-D640 PolarHBondContact O-N 3.43Å; M637-D640 PolarHBondContact O-N 3.08Å; D640-R643 PolarHBondContact O-N 3.21Å
641	L	68.4	Low	65	Low	48 Å²	48	100.7 Å²	100.7	25%	0.251	50%	0.496	S	S	.	.	H	α-helix	trans	-65.4	-47.1	175.8	-77	167.4	0	0	0	111.8	M637 D638 N639 R643 T644	M637-L641 WeakPolarHBondContact O-CG 3.47Å; M637-L641 PolarHBondContact O-N 3.02Å; D638-L641 PolarHBondContact O-N 2.88Å; N639-L641 VanDerWaalsContact C-N 3.3Å; N639-L641 PolarHBondContact O-N 3.25Å; L641-R643 PolarHBondContact O-N 2.78Å; L641-T644 PolarHBondContact O-N 3.31Å; L641-T644 PolarHBondContact O-OG1 3.01Å
642	R	63.2	Low	63.1	Low	136 Å²	136	106.2 Å²	106.2	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-57.3	-37.1	177.7	-73.9	178	-176.8	-173.8	3.9	112.4	D638 N639 T644 G645	D638-R642 WeakPolarHBondContact O-CG 3.38Å; D638-R642 PolarHBondContact O-N 3.42Å; D638-R642 VanDerWaalsContact O-N 3.11Å; D638-R642 IonicContact OD2-CZ 2.66Å; D638-R642 IonicContact OD2-NE 3.95Å; D638-R642 PolarHBondContact OD2-NE 2.88Å; D638-R642 IonicContact OD2-NH2 3.82Å; D638-R642 PolarHBondContact OD2-NH2 3.01Å; D638-R642 VanDerWaalsContact OD2-NH2 3.1Å; N639-R642 PolarHBondContact O-N 3.3Å; R642-T644 VanDerWaalsContact C-N 3.25Å; R642-T644 PolarHBondContact O-N 3.22Å; R642-G645 PolarHBondContact O-N 3.36Å
643	R	55.3	Low	61.2	Low	135 Å²	135	111 Å²	111	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-62	-29.4	174.9	-76.3	-179.8	158.9	-166.9	-6.6	114	R48 D51 N639 D640 L641 G645	R48-R643 VanDerWaalsContact NH2-NH2 3.18Å; D51-R643 IonicContact OD1-CZ 3.52Å; D51-R643 IonicContact OD1-NE 3.86Å; D51-R643 PolarHBondContact OD1-NE 3.41Å; D51-R643 IonicContact OD1-NH2 2.67Å; D51-R643 PolarHBondContact OD1-NH2 3.28Å; D51-R643 IonicContact OD2-NE 3.33Å; N639-R643 PolarHBondContact O-N 3.4Å; D640-R643 PolarHBondContact O-N 3.21Å; L641-R643 PolarHBondContact O-N 2.78Å; R643-G645 VanDerWaalsContact C-N 3.35Å
644	T	60	Low	59.1	Low	85 Å²	85	109.8 Å²	109.8	52%	0.521	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.1	-6.3	-179.1	64.7	0	0	0	0	113.8	L641 R642 R646	L641-T644 PolarHBondContact O-N 3.31Å; L641-T644 PolarHBondContact O-OG1 3.01Å; R642-T644 VanDerWaalsContact C-N 3.25Å; R642-T644 PolarHBondContact O-N 3.22Å; T644-R646 PolarHBondContact O-N 3.49Å; T644-R646 VanDerWaalsContact O-N 3.1Å
645	G	55.3	Low	57.2	Low	68 Å²	68	105.2 Å²	105.2	70%	0.701	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	14.2	-173.9	0	0	0	0	0	114	R642 R643	R642-G645 PolarHBondContact O-N 3.36Å; R643-G645 VanDerWaalsContact C-N 3.35Å
646	R	51.4	Low	55.5	Low	161 Å²	161	108 Å²	108	61%	0.608	56%	0.561	S	S	*	*			trans	-102.6	69.6	179.1	-68.5	-175.4	-170.2	171.7	2.8	110	T644 Y648	T644-R646 PolarHBondContact O-N 3.49Å; T644-R646 VanDerWaalsContact O-N 3.1Å; R646-Y648 HydrophobicContact CB-CD2 4.47Å; R646-Y648 HydrophobicContact CB-CE2 4.1Å; R646-Y648 PolarHBondContact O-N 2.86Å; R646-Y648 VanDerWaalsContact O-N 3.08Å
647	D	53.6	Low	53.8	Low	109 Å²	109	110.1 Å²	110.1	58%	0.583	58%	0.576	S	S	*	*			trans	-73.2	97.5	162.9	-66.7	-26.8	0	0	0	107.5	T649	D647-T649 VanDerWaalsContact C-N 3.25Å; D647-T649 HydrophobicContact CB-CG2 4.21Å; D647-T649 PolarHBondContact O-N 2.82Å
648	Y	48.9	Very low	52.1	Low	162 Å²	162	108.5 Å²	108.5	64%	0.635	57%	0.569	S	S	*	*			trans	-71.7	87.5	167.3	-68	-82.9	0	0	0	108.1	R646 N650	R646-Y648 HydrophobicContact CB-CD2 4.47Å; R646-Y648 HydrophobicContact CB-CE2 4.1Å; R646-Y648 PolarHBondContact O-N 2.86Å; R646-Y648 VanDerWaalsContact O-N 3.08Å; Y648-N650 PolarHBondContact O-N 2.93Å; Y648-N650 VanDerWaalsContact O-N 3.08Å
649	T	54.1	Low	50.3	Low	114 Å²	114	109 Å²	109	70%	0.699	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	4.6	-178	51.3	0	0	0	0	114.4	D647	D647-T649 VanDerWaalsContact C-N 3.25Å; D647-T649 HydrophobicContact CB-CG2 4.21Å; D647-T649 PolarHBondContact O-N 2.82Å
650	N	48.8	Very low	48.6	Very low	145 Å²	145	113.8 Å²	113.8	78%	0.775	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-1.5	-173.3	-48.8	-12.1	0	0	0	113.6	Y648	Y648-N650 PolarHBondContact O-N 2.93Å; Y648-N650 VanDerWaalsContact O-N 3.08Å
651	I	45.1	Very low	46.8	Very low	129 Å²	129	115.9 Å²	115.9	66%	0.662	63%	0.627	S	S	*	*			trans	-128.3	97.6	179.2	-54	174.3	0	0	0	108	R653	I651-R653 PolarHBondContact O-N 2.77Å; I651-R653 VanDerWaalsContact O-N 3.12Å
652	N	43.9	Very low	44.8	Very low	153 Å²	153	116.6 Å²	116.6	82%	0.818	65%	0.646	S	S	*	*			trans	-62.4	113.1	166.3	-70.5	-24.4	0	0	0	107.7	A654	N652-A654 PolarHBondContact O-N 2.87Å
653	R	44.5	Very low	43	Very low	145 Å²	145	116.7 Å²	116.7	55%	0.547	66%	0.662	S	S	.	*			trans	-69.3	123.2	171.9	-69.1	-173	177.1	98.4	-2.5	106.9	I651 A655	I651-R653 PolarHBondContact O-N 2.77Å; I651-R653 VanDerWaalsContact O-N 3.12Å; R653-A655 PolarHBondContact O-N 2.9Å
654	A	42.2	Very low	41.5	Very low	112 Å²	112	116 Å²	116	93%	0.926	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	26.4	-177.8	0	0	0	0	0	114.2	N652	N652-A654 PolarHBondContact O-N 2.87Å
655	A	41.5	Very low	39.9	Very low	48 Å²	48	116.1 Å²	116.1	40%	0.397	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-151.9	25.5	-174.4	0	0	0	0	0	113.9	R653 D657	R653-A655 PolarHBondContact O-N 2.9Å; A655-D657 PolarHBondContact O-N 2.82Å
656	D	38.6	Very low	38.5	Very low	113 Å²	113	119.7 Å²	119.7	60%	0.604	70%	0.695	S	S	*	*			trans	-77.9	55	175.8	-68	-21.5	0	0	0	111.7	I658	D656-I658 VanDerWaalsContact C-N 3.28Å
657	D	37.8	Very low	37.3	Very low	161 Å²	161	117.4 Å²	117.4	86%	0.861	70%	0.704	S	S	*	*			trans	-96.6	55.2	161.6	-76.2	-26.1	0	0	0	109.1	A655 G659	A655-D657 PolarHBondContact O-N 2.82Å; D657-G659 VanDerWaalsContact C-N 3.26Å; D657-G659 PolarHBondContact O-N 2.92Å
658	I	38	Very low	35.9	Very low	87 Å²	87	119.9 Å²	119.9	45%	0.446	72%	0.715	S	S	.	*	S	Bend	trans	-86.5	79.9	159.4	-60.1	177.4	0	0	0	106.4	D656 V660	D656-I658 VanDerWaalsContact C-N 3.28Å; I658-V660 PolarHBondContact O-N 2.9Å
659	G	33.7	Very low	34.9	Very low	64 Å²	64	121 Å²	121	66%	0.66	72%	0.724	S	S	*	*			trans	43.9	32	151.8	0	0	0	0	0	118.9	D657 I661	D657-G659 VanDerWaalsContact C-N 3.26Å; D657-G659 PolarHBondContact O-N 2.92Å; G659-I661 PolarHBondContact O-N 2.93Å
660	V	28.8	Very low	33.5	Very low	134 Å²	134	121.3 Å²	121.3	81%	0.812	73%	0.728	S	S	*	*			trans	-71.2	100.5	170.2	-177.8	0	0	0	0	106.6	I658 G662	I658-V660 PolarHBondContact O-N 2.9Å; V660-G662 PolarHBondContact O-N 2.87Å
661	I	30.6	Very low	32.6	Very low	125 Å²	125	120.8 Å²	120.8	64%	0.641	73%	0.73	S	S	*	*			trans	-53	112.2	173.8	-63.7	173.7	0	0	0	106.9	G659 T663	G659-I661 PolarHBondContact O-N 2.93Å; I661-T663 PolarHBondContact O-N 3.29Å
662	G	25.6	Very low	31.7	Very low	63 Å²	63	120.7 Å²	120.7	65%	0.649	74%	0.735	S	S	*	*			trans	-56.1	106.1	-176.3	0	0	0	0	0	111.6	V660 S664	V660-G662 PolarHBondContact O-N 2.87Å; G662-S664 PolarHBondContact O-N 2.73Å
663	T	24.9	Very low	30.8	Very low	138 Å²	138	119.1 Å²	119.1	85%	0.847	74%	0.735	S	S	*	*			trans	-71.1	74.1	152.7	52.6	0	0	0	0	107.3	I661	I661-T663 PolarHBondContact O-N 3.29Å
664	S	23.9	Very low	30.1	Very low	121 Å²	121	117.4 Å²	117.4	85%	0.846	75%	0.745	S	S	*	*			trans	-120.5	64.1	167.4	-71.5	0	0	0	0	108.1	G662	G662-S664 PolarHBondContact O-N 2.73Å
665	A	27	Very low	29.4	Very low	87 Å²	87	117.1 Å²	117.1	72%	0.719	74%	0.737	S	S	*	*			trans	-137.1	133.6	159	0	0	0	0	0	107.5
666	V	25.5	Very low	28.8	Very low	143 Å²	143	122.3 Å²	122.3	87%	0.867	76%	0.757	S	S	*	*			trans	87.5	89.6	170.2	-159.2	0	0	0	0	116.3
667	S	25.7	Very low	28.2	Very low	113 Å²	113	120.2 Å²	120.2	79%	0.79	76%	0.762	S	S	*	*				-173.4	72.4	118.6	41	0	0	0	0	110.5	F669	S667-F669 VanDerWaalsContact C-N 3.29Å; S667-F669 PolarHBondContact O-N 2.82Å
668	I	25.3	Very low	27.7	Very low	160 Å²	160	122.1 Å²	122.1	82%	0.821	76%	0.763	S	S	*	*			trans	-79.9	84.6	159.5	-58	172.5	0	0	0	106.3
669	F	27.1	Very low	27.3	Very low	186 Å²	186	125.4 Å²	125.4	82%	0.816	78%	0.781	S	S	*	*			trans	-152.8	119	151.9	-79.8	-65.6	0	0	0	108.9	S667 T671	S667-F669 VanDerWaalsContact C-N 3.29Å; S667-F669 PolarHBondContact O-N 2.82Å; F669-T671 PolarHBondContact O-N 2.85Å; F669-T671 VanDerWaalsContact O-N 3.1Å
670	P	25.4	Very low	26.9	Very low	120 Å²	120	127.2 Å²	127.2	78%	0.779	78%	0.784	S	S	*	*			trans	-78.9	95.6	176.7	31.6	-29	0	0	0	108.2	V672	P670-V672 PolarHBondContact O-N 2.86Å
671	T	29.4	Very low	26.9	Very low	134 Å²	134	129.3 Å²	129.3	82%	0.822	78%	0.784	S	S	*	*			trans	-78.6	104.3	165.3	-50.4	0	0	0	0	107.7	F669 C673	F669-T671 PolarHBondContact O-N 2.85Å; F669-T671 VanDerWaalsContact O-N 3.1Å; T671-C673 PolarHBondContact O-N 3.28Å; T671-C673 VanDerWaalsContact O-N 3.12Å
672	V	27.3	Very low	26.7	Very low	127 Å²	127	130.4 Å²	130.4	77%	0.77	79%	0.787	S	S	*	*			trans	-54.5	115.8	174.1	175.2	0	0	0	0	109	P670 S674	P670-V672 PolarHBondContact O-N 2.86Å; V672-S674 PolarHBondContact O-N 3.38Å
673	C	24.2	Very low	26.7	Very low	120 Å²	120	135.3 Å²	135.3	81%	0.811	79%	0.793	S	S	*	*			trans	-56	110.5	174.6	-165.1	0	0	0	0	109.9	T671	T671-C673 PolarHBondContact O-N 3.28Å; T671-C673 VanDerWaalsContact O-N 3.12Å
674	S	29.6	Very low	26.8	Very low	109 Å²	109	137.9 Å²	137.9	76%	0.762	80%	0.795	S	S	*	*			trans	-91.8	104.1	163.4	3	0	0	0	0	107.9	V672 L676	V672-S674 PolarHBondContact O-N 3.38Å; S674-L676 PolarHBondContact O-N 2.73Å
675	S	26.6	Very low	26.8	Very low	107 Å²	107	137.2 Å²	137.2	75%	0.748	79%	0.79	S	S	*	*			trans	-43.3	115	166.2	52.8	0	0	0	0	113.1
676	L	30.7	Very low	26.9	Very low	157 Å²	157	141.9 Å²	141.9	82%	0.822	80%	0.8	S	S	*	*			trans	-130.5	100.5	153.9	-81	166.4	0	0	0	107.4	S674	S674-L676 PolarHBondContact O-N 2.73Å
677	G	25.9	Very low	27	Very low	69 Å²	69	141.1 Å²	141.1	71%	0.711	80%	0.796	S	S	*	*			trans	-69.2	143	174.2	0	0	0	0	0	110.8
678	F	27.7	Very low	27.3	Very low	200 Å²	200	140.4 Å²	140.4	88%	0.877	79%	0.791	S	S	*	*			trans	-131.6	118.4	157.4	-86.9	-81	0	0	0	108.9
679	N	28	Very low	27.4	Very low	157 Å²	157	140.3 Å²	140.3	84%	0.84	79%	0.792	S	S	*	*			trans	-67.9	144.8	179.2	-83.7	-29.5	0	0	0	111.7
680	S	25.3	Very low	27.5	Very low	102 Å²	102	140.7 Å²	140.7	71%	0.713	79%	0.793	S	S	*	*			trans	-11.5	127.3	148.7	53.4	0	0	0	0	116.9
681	H	30	Very low	27.8	Very low	177 Å²	177	142.6 Å²	142.6	82%	0.819	80%	0.797	S	S	*	*			trans	-139.4	117.9	141.5	-109.5	-73.4	0	0	0	111.5
682	E	26.4	Very low	28.2	Very low	148 Å²	148	142 Å²	142	69%	0.692	80%	0.795	S	S	*	*			trans	-5.9	136.1	155.4	-73.3	171.5	133.3	0	0	121.5
683	Q	24	Very low	28.2	Very low	167 Å²	167	139.8 Å²	139.8	78%	0.78	80%	0.798	S	S	*	*				42.9	119.4	126.1	-61.6	178.4	-1.4	0	0	118.5
684	Q	28	Very low	28.5	Very low	192 Å²	192	138.4 Å²	138.4	90%	0.897	80%	0.795	S	S	*	*				-156	124.2	124.7	-109.3	162.7	50.2	0	0	111.6
685	S	24.6	Very low	28.6	Very low	106 Å²	106	139 Å²	139	74%	0.741	80%	0.799	S	S	*	*			trans	-64.9	131.9	170.8	56.4	0	0	0	0	111.2
686	M	28.3	Very low	28.8	Very low	185 Å²	185	139.9 Å²	139.9	91%	0.911	80%	0.8	S	S	*	*			trans	-121.7	105.7	153.3	-75.8	-160.4	-172.9	0	0	109.1
687	T	27.5	Very low	28.7	Very low	128 Å²	128	139.7 Å²	139.7	79%	0.785	80%	0.8	S	S	*	*			trans	-75.5	114.9	166.6	48.4	0	0	0	0	108.8
688	S	32.1	Very low	29	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	81%	0.806	S	S	*	*			trans	-113	108.7	163.9	54.2	0	0	0	0	109.6	F690	S688-F690 PolarHBondContact O-N 3.04Å
689	N	27.1	Very low	29	Very low	158 Å²	158	139.6 Å²	139.6	85%	0.845	80%	0.798	S	S	*	*			trans	-62.9	116.6	169.1	-73.4	-30.3	0	0	0	109.4
690	F	30.3	Very low	29.1	Very low	194 Å²	194	137.5 Å²	137.5	85%	0.851	80%	0.796	S	S	*	*			trans	-120.9	111.3	159.9	-89.2	-81.8	0	0	0	109.4	S688	S688-F690 PolarHBondContact O-N 3.04Å
691	N	31	Very low	29.4	Very low	160 Å²	160	139.4 Å²	139.4	86%	0.856	80%	0.803	S	S	*	*			trans	-72.8	138.9	179.5	-135.4	-1.1	0	0	0	109.5
692	P	38.4	Very low	29.5	Very low	121 Å²	121	137.2 Å²	137.2	79%	0.786	80%	0.803	S	S	*	*			trans	-88.9	135.3	-175.3	34.4	-29.9	0	0	0	110.9
693	G	26.1	Very low	29.5	Very low	80 Å²	80	133.5 Å²	133.5	83%	0.825	80%	0.803	S	S	*	*			trans	180	92.3	173.4	0	0	0	0	0	113.2
694	A	31	Very low	30	Very low	91 Å²	91	132 Å²	132	75%	0.752	81%	0.808	S	S	*	*			trans	-174.1	89.7	145.8	0	0	0	0	0	108.8	V696	A694-V696 PolarHBondContact O-N 3.24Å
695	S	30.6	Very low	30.1	Very low	121 Å²	121	127.8 Å²	127.8	85%	0.846	80%	0.8	S	S	*	*			trans	-66.1	113.6	165.1	46.9	0	0	0	0	109.6
696	V	31.8	Very low	30.3	Very low	127 Å²	127	127.7 Å²	127.7	77%	0.77	81%	0.806	S	S	*	*			trans	-97.7	116	171.8	-178.1	0	0	0	0	108.4	A694 I698	A694-V696 PolarHBondContact O-N 3.24Å; V696-I698 PolarHBondContact O-N 3.11Å
697	N	28.3	Very low	30.3	Very low	153 Å²	153	126.9 Å²	126.9	82%	0.818	80%	0.804	S	S	*	*			trans	-61.2	120.6	174.9	-91.8	-25.8	0	0	0	110.8
698	I	31.3	Very low	30.2	Very low	165 Å²	165	125.6 Å²	125.6	85%	0.846	81%	0.807	S	S	*	*			trans	-92	104.2	169.3	-62.9	173.2	0	0	0	107.5	V696	V696-I698 PolarHBondContact O-N 3.11Å
699	S	29.6	Very low	30.1	Very low	101 Å²	101	126.2 Å²	126.2	71%	0.706	81%	0.811	S	S	*	*			trans	-72.8	125.3	173.2	-54.2	0	0	0	0	110.3	V701	S699-V701 PolarHBondContact O-N 3.46Å
700	S	29.5	Very low	30.1	Very low	113 Å²	113	126.8 Å²	126.8	79%	0.79	81%	0.814	S	S	*	*			trans	-57.9	121.6	173.1	51	0	0	0	0	112.5
701	V	31.7	Very low	30	Very low	143 Å²	143	127 Å²	127	87%	0.867	81%	0.814	S	S	*	*			trans	-104.6	119.3	166.6	177.8	0	0	0	0	108.7	S699	S699-V701 PolarHBondContact O-N 3.46Å
702	T	30.7	Very low	29.8	Very low	131 Å²	131	128.6 Å²	128.6	80%	0.804	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-68.6	145.3	-176.8	43.4	0	0	0	0	113
703	G	27.8	Very low	29.2	Very low	69 Å²	69	128.3 Å²	128.3	71%	0.711	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-70.2	164.2	-172	0	0	0	0	0	116.4
704	P	34.3	Very low	29.2	Very low	135 Å²	135	132.2 Å²	132.2	88%	0.877	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-84.4	126.5	178.9	31.4	-28.4	0	0	0	111.4
705	S	30.2	Very low	28.9	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-62.7	129.5	173.8	46.1	0	0	0	0	112.8	L707	S705-L707 PolarHBondContact O-N 3.46Å
706	A	28	Very low	29	Very low	104 Å²	104	133.1 Å²	133.1	86%	0.86	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-70	119.7	171.2	0	0	0	0	0	111.2
707	L	29	Very low	28.8	Very low	167 Å²	167	135 Å²	135	87%	0.874	82%	0.82	S	S	*	*			trans	-95.8	105.3	169.5	-92.1	142.7	0	0	0	108.9	S705	S705-L707 PolarHBondContact O-N 3.46Å
708	A	25.6	Very low	28.7	Very low	101 Å²	101	136.2 Å²	136.2	84%	0.835	82%	0.82	S	S	*	*			trans	-82.8	124.9	167.8	0	0	0	0	0	109.6
709	S	30.1	Very low	28.5	Very low	111 Å²	111	133.3 Å²	133.3	78%	0.776	81%	0.814	S	S	*	*			trans	-143.2	84.2	162.9	62.7	0	0	0	0	110	K711	S709-K711 PolarHBondContact O-N 3.27Å
710	N	26.3	Very low	28.4	Very low	171 Å²	171	134.7 Å²	134.7	91%	0.914	82%	0.823	S	S	*	*			trans	-72.9	111	162.7	-100	-18.8	0	0	0	108.3
711	K	29.5	Very low	28.3	Very low	197 Å²	197	134.5 Å²	134.5	86%	0.857	82%	0.821	S	S	*	*			trans	-122.8	103.4	159.6	-82.3	-170.7	176.5	-178.8	0	108.7	S709 C713	S709-K711 PolarHBondContact O-N 3.27Å; K711-C713 PolarHBondContact O-N 2.73Å
712	Q	26.5	Very low	28.1	Very low	194 Å²	194	136.2 Å²	136.2	91%	0.907	82%	0.82	S	S	*	*			trans	-61.8	118.4	164.8	-88.7	165.9	-44.1	0	0	109.3
713	C	25.8	Very low	27.9	Very low	115 Å²	115	141.8 Å²	141.8	78%	0.777	83%	0.826	S	S	*	*			trans	-99.7	110.6	164.8	-71	0	0	0	0	108.3	K711	K711-C713 PolarHBondContact O-N 2.73Å
714	N	25.6	Very low	27.7	Very low	162 Å²	162	147 Å²	147	87%	0.866	83%	0.832	S	S	*	*			trans	-74.1	115.2	167.6	-90.3	-13.6	0	0	0	109.1
715	C	25.7	Very low	27.4	Very low	117 Å²	117	146 Å²	146	79%	0.791	83%	0.828	S	S	*	*			trans	-99.8	124.6	169	-68.8	0	0	0	0	109.6
716	P	31.2	Very low	27.2	Very low	115 Å²	115	147.6 Å²	147.6	75%	0.747	83%	0.833	S	S	*	*			trans	-81.7	140.7	-175.8	31.3	-31.8	0	0	0	112.5	H718	P716-H718 PolarHBondContact O-N 2.74Å
717	I	27.2	Very low	27.2	Very low	167 Å²	167	147.5 Å²	147.5	86%	0.856	83%	0.826	S	S	*	*			trans	-64.7	111	179.3	-60.3	165	0	0	0	109.4
718	H	27.9	Very low	27.1	Very low	177 Å²	177	147 Å²	147	82%	0.819	83%	0.825	S	S	*	*			trans	-96.6	112.6	166.3	-103	-81	0	0	0	110.1	P716 C720	P716-H718 PolarHBondContact O-N 2.74Å; H718-C720 PolarHBondContact O-N 2.74Å
719	S	26.8	Very low	27.3	Very low	104 Å²	104	150.1 Å²	150.1	73%	0.727	82%	0.822	S	S	*	*			trans	-64.5	115.8	171.9	50.8	0	0	0	0	111.1
720	C	26.2	Very low	27.1	Very low	131 Å²	131	152.6 Å²	152.6	89%	0.885	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-94.1	116.5	173.3	-164.3	0	0	0	0	110.1	H718	H718-C720 PolarHBondContact O-N 2.74Å
721	S	28.3	Very low	27.2	Very low	109 Å²	109	151.9 Å²	151.9	76%	0.762	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-72.5	136.6	-178.8	-52.3	0	0	0	0	112.3
722	Q	26.7	Very low	27.2	Very low	179 Å²	179	147.8 Å²	147.8	84%	0.836	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-58.6	127.7	175.3	-66.7	173.7	-6.6	0	0	111.5
723	R	26.5	Very low	27.2	Very low	247 Å²	247	148.1 Å²	148.1	93%	0.932	82%	0.819	S	S	*	*			trans	-116.6	109.1	156.9	-82.3	-171.6	177.4	-161.4	0.2	108.7
724	Q	25.4	Very low	27.3	Very low	179 Å²	179	147.2 Å²	147.2	84%	0.836	82%	0.819	S	S	*	*			trans	-71.2	125.9	167.3	-67.7	171.3	-5.6	0	0	108.4
725	S	27.6	Very low	27.3	Very low	114 Å²	114	144.9 Å²	144.9	80%	0.797	82%	0.816	S	S	*	*			trans	-136.7	107.5	161.3	58.4	0	0	0	0	108.6
726	T	25.9	Very low	27.4	Very low	138 Å²	138	143.6 Å²	143.6	85%	0.847	81%	0.814	S	S	*	*			trans	-71.9	126.4	173.5	48.1	0	0	0	0	110.3
727	S	28	Very low	27	Very low	102 Å²	102	148.6 Å²	148.6	71%	0.713	82%	0.819	S	S	*	*			trans	-139.2	108.6	160.4	63.9	0	0	0	0	110.1	H729	S727-H729 PolarHBondContact O-N 2.8Å
728	N	26.4	Very low	27.1	Very low	156 Å²	156	146.4 Å²	146.4	83%	0.834	82%	0.816	S	S	*	*			trans	-68.2	118	174.3	-71.2	-32.9	0	0	0	110.1
729	H	29.9	Very low	27.1	Very low	167 Å²	167	144.5 Å²	144.5	77%	0.773	82%	0.817	S	S	*	*			trans	-121.9	104.8	158.6	-86.7	-64.2	0	0	0	109.2	S727 I731	S727-H729 PolarHBondContact O-N 2.8Å; H729-I731 PolarHBondContact O-N 3.25Å
730	N	25.1	Very low	27	Very low	164 Å²	164	147 Å²	147	88%	0.877	82%	0.822	S	S	*	*			trans	-67	114.1	166	-79.7	-29.2	0	0	0	108.5
731	I	29.6	Very low	27	Very low	155 Å²	155	146.4 Å²	146.4	80%	0.795	82%	0.818	S	S	*	*			trans	-122.6	128.6	162.4	-64.3	179.7	0	0	0	108.1	H729	H729-I731 PolarHBondContact O-N 3.25Å
732	S	29.7	Very low	26.9	Very low	112 Å²	112	146 Å²	146	78%	0.783	82%	0.816	S	S	*	*			trans	-56.5	139.1	-173.4	40.4	0	0	0	0	114.4	A734	S732-A734 PolarHBondContact O-N 2.72Å
733	Q	26.3	Very low	27	Very low	201 Å²	201	146 Å²	146	94%	0.939	82%	0.815	S	S	*	*			trans	-60.8	120.7	178.5	-65	170.8	-7.8	0	0	112.1
734	A	27.9	Very low	27	Very low	95 Å²	95	140.1 Å²	140.1	79%	0.785	81%	0.807	S	S	*	*			trans	-105.6	120.8	156.2	0	0	0	0	0	108	S732 A736	S732-A734 PolarHBondContact O-N 2.72Å; A734-A736 PolarHBondContact O-N 3Å
735	S	24.8	Very low	27	Very low	113 Å²	113	135.8 Å²	135.8	79%	0.79	80%	0.802	S	S	*	*			trans	-70.1	91.5	-174.5	41.5	0	0	0	0	112.2
736	A	27.5	Very low	27	Very low	91 Å²	91	137.2 Å²	137.2	75%	0.752	80%	0.799	S	S	*	*			trans	-87.2	112	163	0	0	0	0	0	109.3	A734 P738	A734-A736 PolarHBondContact O-N 3Å; A736-P738 WeakPolarHBondContact O-CD 3.33Å
737	Y	24	Very low	26.9	Very low	219 Å²	219	135.4 Å²	135.4	86%	0.859	79%	0.792	S	S	*	*			trans	-59.2	119.2	173.3	-80.3	-89.8	0	0	0	110.5	T739	Y737-T739 PolarHBondContact O-N 3.42Å
738	P	29.1	Very low	26.8	Very low	121 Å²	121	135.6 Å²	135.6	79%	0.786	79%	0.792	S	S	*	*			trans	-77.5	111.2	178.4	29.2	-29.5	0	0	0	109.3	A736 N740	A736-P738 WeakPolarHBondContact O-CD 3.33Å; P738-N740 PolarHBondContact O-N 2.96Å; P738-N740 VanDerWaalsContact O-N 3.17Å
739	T	27.2	Very low	26.9	Very low	138 Å²	138	133.7 Å²	133.7	85%	0.847	79%	0.786	S	S	*	*			trans	-76.1	103.5	166.8	-17.1	0	0	0	0	107.7	Y737 C741	Y737-T739 PolarHBondContact O-N 3.42Å; T739-C741 PolarHBondContact O-N 3.13Å
740	N	24.9	Very low	26.7	Very low	157 Å²	157	132.4 Å²	132.4	84%	0.84	79%	0.79	S	S	*	*			trans	-65.8	93.6	-178.5	-149	-0.2	0	0	0	109.6	P738	P738-N740 PolarHBondContact O-N 2.96Å; P738-N740 VanDerWaalsContact O-N 3.17Å
741	C	25.4	Very low	26.9	Very low	118 Å²	118	131.6 Å²	131.6	80%	0.797	79%	0.785	S	S	*	*			trans	-91.5	102.7	167.6	-133.5	0	0	0	0	106.8	T739 Q743	T739-C741 PolarHBondContact O-N 3.13Å; C741-Q743 VanDerWaalsContact C-N 3.29Å; C741-Q743 PolarHBondContact O-N 3.22Å
742	S	27.8	Very low	27.1	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	78%	0.783	S	S	*	*			trans	-62.9	87.3	178	34.9	0	0	0	0	110.6	T744	S742-T744 PolarHBondContact O-N 2.75Å
743	Q	27.3	Very low	27.1	Very low	177 Å²	177	130.4 Å²	130.4	83%	0.827	79%	0.787	S	S	*	*			trans	-64.3	92.8	155.3	-74.6	-174	-1.9	0	0	107	C741 A745	C741-Q743 VanDerWaalsContact C-N 3.29Å; C741-Q743 PolarHBondContact O-N 3.22Å; Q743-A745 PolarHBondContact O-N 3.37Å
744	T	26.9	Very low	27.3	Very low	124 Å²	124	127.4 Å²	127.4	76%	0.761	78%	0.782	S	S	*	*			trans	-71.6	79	160	23.2	0	0	0	0	106.9	S742 I746	S742-T744 PolarHBondContact O-N 2.75Å; T744-I746 PolarHBondContact O-N 3.29Å
745	A	25.9	Very low	27.5	Very low	88 Å²	88	126.9 Å²	126.9	73%	0.727	78%	0.778	S	S	*	*			trans	-65.6	94.9	158	0	0	0	0	0	106.2	Q743 S747	Q743-A745 PolarHBondContact O-N 3.37Å; A745-S747 PolarHBondContact O-N 3.33Å
746	I	27.3	Very low	28	Very low	144 Å²	144	127.3 Å²	127.3	74%	0.738	78%	0.778	S	S	*	*			trans	-67.5	93.3	169.2	-59.5	175.7	0	0	0	105.6	T744 C748	T744-I746 PolarHBondContact O-N 3.29Å; I746-C748 VanDerWaalsContact C-N 3.33Å; I746-C748 PolarHBondContact O-N 2.95Å
747	S	23.8	Very low	28.2	Very low	100 Å²	100	129.5 Å²	129.5	70%	0.699	78%	0.782	S	S	*	*			trans	-66.4	95	167	-179.2	0	0	0	0	107.5	A745 T749	A745-S747 PolarHBondContact O-N 3.33Å; S747-T749 VanDerWaalsContact C-N 3.34Å; S747-T749 PolarHBondContact O-N 3.01Å
748	C	26.6	Very low	28.5	Very low	107 Å²	107	125 Å²	125	72%	0.723	78%	0.777	S	S	*	*			trans	-73.8	93	169.3	-71.4	0	0	0	0	108	I746 T750	I746-C748 VanDerWaalsContact C-N 3.33Å; I746-C748 PolarHBondContact O-N 2.95Å; C748-T750 PolarHBondContact O-N 2.75Å
749	T	27.8	Very low	28.5	Very low	115 Å²	115	124 Å²	124	71%	0.706	77%	0.772	S	S	*	*			trans	-62.4	116.1	165	32.7	0	0	0	0	108.8	S747 L751	S747-T749 VanDerWaalsContact C-N 3.34Å; S747-T749 PolarHBondContact O-N 3.01Å; T749-L751 PolarHBondContact O-N 3.34Å; T749-L751 VanDerWaalsContact O-N 3.1Å
750	T	25.9	Very low	28.6	Very low	140 Å²	140	123.6 Å²	123.6	86%	0.859	77%	0.77	S	S	*	*			trans	-68.2	99.6	172.7	46.8	0	0	0	0	109.3	C748	C748-T750 PolarHBondContact O-N 2.75Å
751	L	28.6	Very low	28.7	Very low	148 Å²	148	121 Å²	121	78%	0.775	76%	0.763	S	S	*	*			trans	-100.8	126.7	162.4	-84.5	162.1	0	0	0	108.8	T749 C753	T749-L751 PolarHBondContact O-N 3.34Å; T749-L751 VanDerWaalsContact O-N 3.1Å; L751-C753 PolarHBondContact O-N 3.12Å
752	P	35.2	Very low	29.1	Very low	113 Å²	113	120.9 Å²	120.9	73%	0.734	76%	0.762	S	S	*	*			trans	-82.2	100.1	-173.6	31.8	-30.7	0	0	0	109.8	T754	P752-T754 PolarHBondContact O-N 3.02Å
753	C	29.6	Very low	29.1	Very low	129 Å²	129	127.8 Å²	127.8	87%	0.872	77%	0.772	S	S	*	*			trans	-88.5	95.7	167.6	-81.5	0	0	0	0	109.8	L751 A755	L751-C753 PolarHBondContact O-N 3.12Å; C753-A755 PolarHBondContact O-N 3.38Å
754	T	29.1	Very low	29.2	Very low	137 Å²	137	126.4 Å²	126.4	84%	0.84	77%	0.77	S	S	*	*			trans	-68.1	113.3	160.6	48.7	0	0	0	0	109.6	P752	P752-T754 PolarHBondContact O-N 3.02Å
755	A	31.9	Very low	29.5	Very low	85 Å²	85	124.9 Å²	124.9	70%	0.702	77%	0.771	S	S	*	*			trans	-152	142.2	160.6	0	0	0	0	0	109.5	C753	C753-A755 PolarHBondContact O-N 3.38Å
756	P	37.1	Very low	29.6	Very low	121 Å²	121	127.8 Å²	127.8	79%	0.786	77%	0.774	S	S	*	*			trans	-80.8	138.4	-152.2	31.7	-33.9	0	0	0	113	V758	P756-V758 PolarHBondContact O-N 3.39Å; P756-V758 VanDerWaalsContact O-N 3.15Å
757	V	31.2	Very low	29.8	Very low	138 Å²	138	125.9 Å²	125.9	84%	0.836	77%	0.774	S	S	*	*			trans	-65.3	105.8	173.7	177.7	0	0	0	0	109.1	S759	V757-S759 PolarHBondContact O-N 2.8Å
758	V	29.7	Very low	30	Very low	124 Å²	124	127.6 Å²	127.6	75%	0.752	78%	0.78	S	S	*	*			trans	-81.6	103.3	161.8	178	0	0	0	0	107	P756 V760	P756-V758 PolarHBondContact O-N 3.39Å; P756-V758 VanDerWaalsContact O-N 3.15Å; V758-V760 PolarHBondContact O-N 3.33Å; V758-V760 VanDerWaalsContact O-N 3.17Å
759	S	28.8	Very low	30.2	Very low	99 Å²	99	129 Å²	129	69%	0.692	79%	0.785	S	S	*	*			trans	-65	105.4	175.7	53.2	0	0	0	0	110.5	V757	V757-S759 PolarHBondContact O-N 2.8Å
760	V	29.1	Very low	30.3	Very low	131 Å²	131	126.6 Å²	126.6	79%	0.794	78%	0.783	S	S	*	*			trans	-96.6	107.5	163.1	-177.9	0	0	0	0	107.1	V758	V758-V760 PolarHBondContact O-N 3.33Å; V758-V760 VanDerWaalsContact O-N 3.17Å
761	S	28.7	Very low	30.6	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-62.6	132.3	179.5	-65.8	0	0	0	0	110.9
762	P	32.2	Very low	30.7	Very low	117 Å²	117	126.7 Å²	126.7	76%	0.76	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-73.5	130.2	-179.8	28.1	-30.9	0	0	0	110.5	N764	P762-N764 PolarHBondContact O-N 3.23Å
763	R	28.3	Very low	30.5	Very low	245 Å²	245	130.3 Å²	130.3	93%	0.925	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-68.9	118	169.8	-76.1	-179.2	174.7	-175	-2.3	108.8	A765	R763-A765 PolarHBondContact O-N 3.23Å
764	N	30.3	Very low	30.5	Very low	148 Å²	148	132 Å²	132	79%	0.791	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-51.3	118.9	169.7	-70.7	-20.2	0	0	0	110.2	P762	P762-N764 PolarHBondContact O-N 3.23Å
765	A	31.5	Very low	30.5	Very low	93 Å²	93	135.9 Å²	135.9	77%	0.769	78%	0.777	S	S	*	*			trans	-105.5	96.3	160.6	0	0	0	0	0	106.4	R763 S767	R763-A765 PolarHBondContact O-N 3.23Å; A765-S767 PolarHBondContact O-N 3.06Å
766	D	28.7	Very low	30.4	Very low	148 Å²	148	140 Å²	140	79%	0.791	79%	0.787	S	S	*	*			trans	-64.7	109.7	170.5	-71.3	-41.1	0	0	0	108.9
767	S	30.8	Very low	30.2	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	78%	0.784	S	S	*	*			trans	-118.2	84.3	163.8	56.3	0	0	0	0	109.2	A765 T769	A765-S767 PolarHBondContact O-N 3.06Å; S767-T769 PolarHBondContact O-N 3.31Å; S767-T769 VanDerWaalsContact O-N 3.14Å
768	T	28	Very low	30.2	Very low	136 Å²	136	137.6 Å²	137.6	83%	0.834	78%	0.78	S	S	*	*			trans	-65.5	99.1	164.4	42.1	0	0	0	0	109.8
769	T	31.8	Very low	30.5	Very low	136 Å²	136	137.8 Å²	137.8	83%	0.834	78%	0.783	S	S	*	*			trans	-103.1	100.6	161.6	45.8	0	0	0	0	108.7	S767	S767-T769 PolarHBondContact O-N 3.31Å; S767-T769 VanDerWaalsContact O-N 3.14Å
770	G	30.6	Very low	30.7	Very low	64 Å²	64	138.6 Å²	138.6	66%	0.66	79%	0.789	S	S	*	*			trans	-62.3	132	-177.5	0	0	0	0	0	112.8	F772	G770-F772 PolarHBondContact O-N 2.9Å
771	S	31.3	Very low	31	Very low	104 Å²	104	143.6 Å²	143.6	73%	0.727	79%	0.794	S	S	*	*			trans	-67	107.4	168.8	-178.4	0	0	0	0	110	F773	S771-F773 PolarHBondContact O-N 2.93Å
772	F	29.9	Very low	31.4	Very low	186 Å²	186	144.2 Å²	144.2	82%	0.816	80%	0.796	S	S	*	*			trans	-81.8	81.3	168.2	-86.2	-87.6	0	0	0	109.8	G770	G770-F772 PolarHBondContact O-N 2.9Å
773	F	31.5	Very low	31.7	Very low	189 Å²	189	150.6 Å²	150.6	83%	0.829	81%	0.805	S	S	*	*			trans	-108.6	88.1	157.2	-91.7	-83.5	0	0	0	108.4	S771 R775	S771-F773 PolarHBondContact O-N 2.93Å; F773-R775 VanDerWaalsContact C-N 3.33Å; F773-R775 PolarHBondContact O-N 3.14Å
774	H	29.7	Very low	32.3	Very low	166 Å²	166	145 Å²	145	77%	0.769	80%	0.798	S	S	*	*			trans	-67.2	92.9	168.3	-105.9	-73.9	0	0	0	108.8	L776	H774-L776 PolarHBondContact O-N 2.77Å; H774-L776 VanDerWaalsContact O-N 3.11Å
775	R	28.6	Very low	32.3	Very low	217 Å²	217	148.1 Å²	148.1	82%	0.819	80%	0.804	S	S	*	*			trans	-67.2	104.5	167.2	-176	-179.8	-89.9	-168.2	-5.7	107.7	F773 T777	F773-R775 VanDerWaalsContact C-N 3.33Å; F773-R775 PolarHBondContact O-N 3.14Å; R775-T777 VanDerWaalsContact C-N 3.31Å; R775-T777 HydrophobicContact CG-CG2 4.28Å; R775-T777 PolarHBondContact O-N 3.18Å
776	L	30.3	Very low	32.7	Very low	172 Å²	172	152.5 Å²	152.5	90%	0.901	83%	0.829	S	S	*	*			trans	-62.5	88.5	169.5	-72.6	162.6	0	0	0	109.3	H774 A778	H774-L776 PolarHBondContact O-N 2.77Å; H774-L776 VanDerWaalsContact O-N 3.11Å; L776-A778 PolarHBondContact O-N 3.39Å
777	T	32.7	Very low	32.9	Very low	117 Å²	117	152.7 Å²	152.7	72%	0.718	83%	0.831	S	S	*	*			trans	-79.7	109.2	168	48	0	0	0	0	108.7	R775	R775-T777 VanDerWaalsContact C-N 3.31Å; R775-T777 HydrophobicContact CG-CG2 4.28Å; R775-T777 PolarHBondContact O-N 3.18Å
778	A	32.1	Very low	33.1	Very low	91 Å²	91	155.2 Å²	155.2	75%	0.752	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-58.2	139.1	171.3	0	0	0	0	0	110.9	L776 S780	L776-A778 PolarHBondContact O-N 3.39Å; A778-S780 PolarHBondContact O-N 2.71Å
779	P	35.1	Very low	33.3	Very low	128 Å²	128	156.3 Å²	156.3	83%	0.831	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-73.4	122	-176	27.6	-31.2	0	0	0	110.9	R781	P779-R781 PolarHBondContact O-N 3.22Å
780	S	34.3	Very low	33.4	Very low	116 Å²	116	157.5 Å²	157.5	81%	0.811	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-62.9	116.5	173.7	51.5	0	0	0	0	111	A778	A778-S780 PolarHBondContact O-N 2.71Å
781	R	34	Very low	33.6	Very low	236 Å²	236	163.3 Å²	163.3	89%	0.891	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-59.5	130.1	173.1	-144.8	176.4	-172.9	-175.4	1.5	110	P779 R783	P779-R781 PolarHBondContact O-N 3.22Å; R781-R783 PolarHBondContact O-N 2.77Å
782	P	38.3	Very low	33.8	Very low	115 Å²	115	167.3 Å²	167.3	75%	0.747	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-73.4	123.3	-177.7	28.1	-31.3	0	0	0	110.3	T784	P782-T784 PolarHBondContact O-N 3.47Å; P782-T784 VanDerWaalsContact O-N 3.13Å
783	R	37.4	Very low	34	Very low	251 Å²	251	165.9 Å²	165.9	95%	0.947	86%	0.858	S	S	*	*			trans	-66.5	102.7	166.8	-89.8	176.6	150.1	176.3	-6.7	108.8	R781 K785	R781-R783 PolarHBondContact O-N 2.77Å; R783-K785 PolarHBondContact O-N 3.34Å
784	T	41.6	Very low	34.2	Very low	128 Å²	128	164.2 Å²	164.2	79%	0.785	86%	0.86	S	S	*	*			trans	-67.5	120.1	162.9	43.1	0	0	0	0	108.9	P782 S786	P782-T784 PolarHBondContact O-N 3.47Å; P782-T784 VanDerWaalsContact O-N 3.13Å; T784-S786 PolarHBondContact O-N 3.38Å
785	K	29.7	Very low	34.6	Very low	213 Å²	213	164 Å²	164	93%	0.926	87%	0.868	S	S	*	*			trans	-74.7	110.3	166	-79.7	-179.9	172.8	-179.9	0	108.7	R783	R783-K785 PolarHBondContact O-N 3.34Å
786	S	41.5	Very low	35.2	Very low	184 Å²	184	159.2 Å²	159.2	100%	1.287	87%	0.872	S	S	*	*			trans	-169	0	148.3	59.9	0	0	0	0	107.5	T784	T784-S786 PolarHBondContact O-N 3.38Å

Retrieved 786 of 786 residues in 917 ms (Link to these results)

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